Secondary structure calculation program - copyright by David Keith Smith, 1989
1g94A.pdb
1G94 HYDROLASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 448
A A K K hydrogen bonding Ooi's
strk chain/ l amino u & S structure bridge dihedral angles donor acceptor donor acceptor N N
num seq.no t acids t S + patterns partners phi psi omega alpha kappa tco to/energy fr/energy to/energy fr/energy 8 14
1 A 1 THR T 0 0 999.9 133.9 179.4 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 6 35
2 A 2 PRO P + 0 0 -66.8 134.9 -176.9 152.5 999.9 118.5 0 0.0 0 0.0 0 0.0 0 0.0 7 41
3 A 3 THR T + 0 0 -140.5 -10.5 -174.0 56.2 48.2 61.3 0 0.0 0 0.0 0 0.0 0 0.0 12 52
4 A 4 THR T e - 0 0 -136.6 141.4 175.9 -163.2 53.0 166.5 0 0.0 30 -2.9 0 0.0 31 -0.6 14 64
5 A 5 PHE F E E Aab - 31 300 -114.2 177.8 -177.4 -140.4 12.2 128.2 299 -2.2 301 -2.6 0 0.0 0 0.0 12 72
6 A 6 VAL V E E Aab - 32 301 -142.5 142.6 178.2 -136.3 9.9 175.8 31 -1.4 33 -3.0 0 0.0 8 -0.8 13 67
7 A 7 HIS H E E Aab - 33 302 -98.9 104.8 177.5 -164.3 13.3 153.0 301 -2.3 9 -1.6 0 0.0 303 -1.1 11 68
8 A 8 LEU L E E A b> T - 0 303 -88.8 74.8 -177.5 -151.8 23.1 129.8 33 -1.5 11 -1.8 6 -0.8 0 0.0 13 69
9 A 9 PHE F T e 3 T - 0 0 -55.3 117.3 -179.4 -11.8 68.5 108.2 7 -1.6 0 0.0 303 -1.0 0 0.0 11 66
10 A 10 GLU E T T 3 TS+ 0 0 65.6 13.0 178.3 149.0 91.4 55.7 0 0.0 0 0.0 0 0.0 0 0.0 10 62
11 A 11 TRP W t < T - 0 0 -77.0 132.6 179.0 -125.1 46.0 127.5 8 -1.8 0 0.0 0 0.0 0 0.0 11 64
12 A 12 ASN N h > T - 0 0 -73.7 163.6 -176.6 -102.9 25.5 111.0 0 0.0 16 -2.2 0 0.0 0 0.0 10 58
13 A 13 TRP W H H > TS+ 0 0 -59.2 -33.5 179.4 53.0 118.7 37.6 61 -1.9 17 -2.2 0 0.0 0 0.0 11 52
14 A 14 GLN Q H H > TS+ 0 0 -69.5 -40.6 178.3 47.4 110.8 25.7 0 0.0 18 -2.1 0 0.0 0 0.0 8 45
15 A 15 ASP D H H > TS+ 0 0 -66.8 -40.9 179.3 49.8 112.1 25.0 0 0.0 19 -2.2 0 0.0 0 0.0 11 58
16 A 16 VAL V H H X TS+ 0 0 -64.0 -44.2 179.5 51.9 109.7 20.8 12 -2.2 20 -2.5 0 0.0 0 0.0 12 66
17 A 17 ALA A H H X TS+ 0 0 -56.6 -49.9 179.5 44.0 112.7 20.7 13 -2.2 21 -1.8 0 0.0 0 0.0 13 54
18 A 18 GLN Q H H X TS+ 0 0 -64.0 -36.1 -179.3 53.1 112.6 31.1 14 -2.1 22 -2.9 0 0.0 0 0.0 9 50
19 A 19 GLU E H H X >TS+ 0 0 -68.2 -39.5 178.2 53.3 105.8 26.6 15 -2.2 23 -2.5 0 0.0 24 -2.3 9 60
20 A 20 CYS C H H < >TS+ 0 0 -58.7 -46.7 -178.0 39.7 116.4 20.3 16 -2.5 25 -2.4 0 0.0 0 0.0 13 51
21 A 21 GLU E H H < 5TS+ 0 0 -70.1 -48.9 -177.2 35.9 123.5 21.8 17 -1.8 0 0.0 0 0.0 0 0.0 12 35
22 A 22 GLN Q H H < 5TS- 0 0 -82.2 -22.8 -176.1 -5.6 137.2 43.3 18 -2.9 0 0.0 0 0.0 0 0.0 8 33
23 A 23 TYR Y T h X 5TS+ 0 0 -138.3 -56.3 -177.4 57.0 118.0 48.5 19 -2.5 27 -2.5 0 0.0 0 0.0 8 46
24 A 24 LEU L H H > XTS+ 0 0 -56.1 -46.6 179.4 44.1 111.9 26.9 19 -2.3 29 -2.1 0 0.0 28 -0.6 11 56
25 A 25 GLY G H H 4 > TS- 0 0 -58.4 148.4 179.4 -126.3 73.5 103.2 0 0.0 48 -1.3 0 0.0 0 0.0 8 39
46 A 46 TRP W G G > TS+ 0 0 -65.1 -32.1 -178.2 64.1 106.0 31.8 312 -1.3 49 -1.2 0 0.0 0 0.0 10 50
47 A 47 TRP W G G > TS+ 0 0 -74.5 1.4 177.7 89.1 72.0 63.6 0 0.0 50 -1.5 0 0.0 0 0.0 8 56
48 A 48 THR T G G X TS+ 0 0 -65.0 -25.4 -179.1 69.3 78.6 34.6 45 -1.3 51 -1.7 0 0.0 41 -0.8 11 50
49 A 49 A ARG R G G < TS+ 0 0 -64.4 -21.3 179.7 60.9 90.4 46.9 46 -1.2 0 0.0 0 0.0 0 0.0 10 59
50 A 50 TYR Y G G < TS+ 0 0 -94.4 16.9 176.9 74.0 89.7 76.2 47 -1.5 0 0.0 0 0.0 0 0.0 9 60
51 A 51 GLN Q S g < TS- 0 0 -129.4 85.9 -179.7 -157.0 75.8 144.9 48 -1.7 41 -1.5 0 0.0 0 0.0 13 61
52 A 52 PRO P B B A + 40 0 -65.6 145.8 176.4 179.8 22.6 107.6 0 0.0 91 -2.4 0 0.0 0 0.0 14 66
53 A 53 VAL V S S S- 0 0 -111.9 -37.2 177.3 -28.1 72.3 48.8 39 -2.6 0 0.0 0 0.0 0 0.0 16 57
54 A 54 SER S - 0 0 -162.0 -177.2 179.3 -98.8 63.6 153.9 39 -1.1 0 0.0 0 0.0 0 0.0 11 58
55 A 55 TYR Y S S S+ 0 0 -102.4 17.3 177.8 128.1 72.5 77.7 0 0.0 0 0.0 0 0.0 0 0.0 8 55
56 A 56 GLU E - 0 0 -71.8 137.3 -178.6 -120.4 68.4 121.7 0 0.0 58 -2.1 0 0.0 39 -1.4 8 49
57 A 57 LEU L S S S+ 0 0 -80.4 61.3 179.8 115.5 75.6 109.9 0 0.0 0 0.0 0 0.0 0 0.0 10 52
58 A 58 GLN Q + 0 0 -131.4 104.8 -177.4 132.0 39.9 161.7 56 -2.1 0 0.0 0 0.0 0 0.0 13 44
59 A 59 SER S B B C > TS- 62 0 -142.2 -173.4 179.0 -76.6 72.2 141.2 62 -2.4 62 -1.2 0 0.0 0 0.0 13 52
60 A 60 ARG R T T 3 TS+ 0 0 -61.7 -27.5 -179.7 59.7 125.0 36.9 0 0.0 0 0.0 0 0.0 0 0.0 7 55
61 A 61 GLY G T T 3 TS- 0 0 -73.7 -22.9 -179.0 -86.4 121.2 41.3 0 0.0 13 -1.9 0 0.0 0 0.0 11 59
62 A 62 GLY G B B C < T - 59 0 145.2 -173.0 180.0 -54.6 51.2 155.2 59 -1.2 59 -2.4 0 0.0 0 0.0 11 38
63 A 63 ASN N h > T - 0 0 -94.8 178.2 -178.9 -90.4 56.6 110.1 0 0.0 67 -2.0 0 0.0 0 0.0 9 37
64 A 64 ARG R H H > TS+ 0 0 -56.0 -44.5 -179.8 51.2 124.5 27.1 0 0.0 68 -2.4 0 0.0 0 0.0 9 38
65 A 65 ALA A H H > TS+ 0 0 -61.2 -43.7 179.7 47.7 111.3 24.0 0 0.0 69 -2.3 0 0.0 0 0.0 6 28
66 A 66 GLN Q H H > TS+ 0 0 -66.3 -34.0 178.9 51.5 111.2 33.9 0 0.0 70 -1.9 0 0.0 0 0.0 10 36
67 A 67 PHE F H H X TS+ 0 0 -68.2 -45.3 -179.7 46.8 111.1 24.1 63 -2.0 71 -2.1 0 0.0 0 0.0 12 52
68 A 68 ILE I H H X TS+ 0 0 -63.3 -42.9 179.0 53.2 110.4 23.5 64 -2.4 72 -2.3 0 0.0 0 0.0 9 43
69 A 69 ASP D H H X TS+ 0 0 -57.8 -44.6 178.6 50.8 108.5 24.3 65 -2.3 73 -2.8 0 0.0 0 0.0 9 38
70 A 70 MET M H H X TS+ 0 0 -60.4 -46.9 -179.5 49.8 109.1 23.1 66 -1.9 74 -2.7 0 0.0 0 0.0 12 52
71 A 71 VAL V H H X TS+ 0 0 -60.9 -41.1 -179.9 46.0 114.1 25.0 67 -2.1 75 -2.4 0 0.0 0 0.0 14 54
72 A 72 ASN N H H X TS+ 0 0 -66.6 -50.1 -179.0 45.2 114.7 20.3 68 -2.3 76 -2.4 0 0.0 0 0.0 9 37
73 A 73 ARG R H H X TS+ 0 0 -62.9 -40.7 179.1 47.2 115.5 25.8 69 -2.8 77 -1.2 0 0.0 0 0.0 11 38
74 A 74 CYS C H H < >>TS+ 0 0 -65.8 -45.7 179.5 51.0 111.5 18.8 70 -2.7 79 -2.7 0 0.0 77 -0.6 16 49
75 A 75 SER S H H < >5TS+ 0 0 -57.6 -42.2 179.5 52.5 107.9 26.5 71 -2.4 78 -1.5 0 0.0 0 0.0 10 43
76 A 76 ALA A H H < 35TS+ 0 0 -64.9 -28.7 179.0 52.1 108.2 38.0 72 -2.4 0 0.0 0 0.0 0 0.0 7 33
77 A 77 ALA A T h < <5TS- 0 0 -85.9 -2.6 179.7 -105.5 124.7 64.4 73 -1.2 0 0.0 74 -0.6 0 0.0 10 31
78 A 78 GLY G T T <5TS+ 0 0 87.5 17.4 -178.1 126.4 80.4 53.8 75 -1.5 0 0.0 0 0.0 0 0.0 8 38
79 A 79 VAL V t T - 41 0 -104.6 172.8 -178.9 -99.9 32.2 125.2 101 -2.6 100 -1.8 0 0.0 0 0.0 13 46
98 A 98 THR T T T 3 TS+ 0 0 -68.6 -9.9 178.2 51.1 121.6 56.5 40 -2.0 0 0.0 0 0.0 0 0.0 12 42
99 A 99 ALA A T T 3 TS- 0 0 -110.2 12.4 178.7 -97.8 124.8 77.8 0 0.0 0 0.0 0 0.0 0 0.0 8 36
100 A 100 GLY G S t < TS+ 0 0 90.8 -5.5 -179.5 143.4 76.4 69.7 97 -1.8 0 0.0 0 0.0 0 0.0 6 29
101 A 101 ASN N e - 0 0 -72.6 142.1 -179.6 -143.1 39.9 115.8 0 0.0 97 -2.6 0 0.0 0 0.0 10 33
102 A 102 A SER S E E CF + 96 0 -104.6 147.3 -178.8 174.0 22.4 131.8 0 0.0 0 0.0 0 0.0 0 0.0 11 33
103 A 103 PHE F E E CF + 95 0 -148.2 161.6 178.5 150.0 6.4 168.5 95 -1.9 95 -2.2 0 0.0 0 0.0 13 35
104 A 104 GLY G B B D > T + 107 0 171.8 150.8 179.1 26.6 56.2 145.3 107 -1.8 107 -0.7 0 0.0 0 0.0 9 36
105 A 105 ASN N T T 3 TS- 0 0 52.4 47.7 -179.1 -53.5 129.7 27.1 0 0.0 0 0.0 0 0.0 0 0.0 7 34
106 A 106 LYS K T T 3 TS+ 0 0 57.3 33.8 179.1 127.5 111.2 34.4 93 -0.5 0 0.0 0 0.0 0 0.0 12 43
107 A 107 SER S B B D < T + 104 0 -126.4 114.1 -177.9 160.9 28.8 164.5 104 -0.7 104 -1.8 0 0.0 0 0.0 9 38
108 A 108 PHE F - 0 0 -123.5 174.2 179.4 -94.0 55.4 133.4 111 -2.8 0 0.0 0 0.0 0 0.0 11 43
109 A 109 PRO P S S S+ 0 0 -59.6 -33.1 -177.7 24.0 126.7 30.2 0 0.0 0 0.0 0 0.0 0 0.0 9 38
110 A 110 ILE I S S S+ 0 0 -113.2 -2.8 -179.7 54.1 121.1 64.3 0 0.0 0 0.0 0 0.0 0 0.0 5 43
111 A 111 TYR Y - 0 0 -137.6 146.9 179.3 -156.1 57.9 171.7 0 0.0 108 -2.8 0 0.0 0 0.0 9 46
112 A 112 SER S g > T - 0 0 -111.4 167.1 179.8 -97.7 42.1 133.5 0 0.0 115 -2.4 0 0.0 0 0.0 9 35
113 A 113 PRO P G G > TS+ 0 0 -55.9 -28.5 -178.6 62.7 122.6 34.7 0 0.0 116 -1.3 0 0.0 0 0.0 8 33
114 A 114 GLN Q G G 3 TS+ 0 0 -75.6 -6.1 -180.0 67.8 89.8 58.9 0 0.0 0 0.0 0 0.0 0 0.0 6 28
115 A 115 ASP D G G < TS+ 0 0 -94.1 5.5 -179.7 71.4 94.3 69.8 112 -2.4 146 -2.7 0 0.0 0 0.0 10 39
116 A 116 PHE F B B E < TS- 145 0 -119.5 159.6 176.4 -103.5 88.0 143.8 113 -1.3 0 0.0 0 0.0 0 0.0 11 48
117 A 117 HIS H - 0 0 -73.3 156.4 178.6 -84.6 55.5 114.2 144 -2.9 0 0.0 0 0.0 0 0.0 11 44
118 A 118 GLU E - 0 0 -64.2 137.0 -178.7 -90.7 61.3 115.4 0 0.0 0 0.0 0 0.0 0 0.0 5 34
119 A 119 SER S + 0 0 -58.0 124.2 175.3 140.7 63.6 106.9 0 0.0 0 0.0 0 0.0 0 0.0 8 35
120 A 120 CYS C - 0 0 -153.8 160.1 -177.1 -111.4 45.0 160.1 0 0.0 138 -3.2 0 0.0 0 0.0 8 31
121 A 121 THR T B B f - 138 0 -105.6 136.3 177.1 -129.1 17.1 147.6 0 0.0 123 -0.7 0 0.0 0 0.0 10 30
122 A 122 ILE I - 0 0 -81.1 114.5 178.4 -158.1 30.3 138.1 138 -2.1 0 0.0 0 0.0 0 0.0 11 36
123 A 123 ASN N t > > T - 0 0 -89.8 153.0 -179.3 -112.3 27.5 131.7 121 -0.7 126 -1.8 0 0.0 127 -0.6 6 26
124 A 124 ASN N T T 4 > TS+ 0 0 -54.8 -34.2 -179.4 56.1 117.3 33.3 0 0.0 127 -0.8 0 0.0 0 0.0 5 29
125 A 125 SER S T h > > TS+ 0 0 -73.3 -17.8 179.1 74.6 91.1 45.8 0 0.0 129 -1.4 0 0.0 128 -0.5 7 23
126 A 126 ASP D H H > < TS+ 0 0 -62.3 -34.2 -179.8 65.5 84.3 32.8 123 -1.8 130 -2.6 0 0.0 0 0.0 11 28
127 A 127 TYR Y H H < < TS+ 0 0 -56.6 -38.4 -179.0 40.1 107.8 27.3 124 -0.8 208 -3.2 123 -0.6 0 0.0 12 37
128 A 128 GLY G H H 4 < TS+ 0 0 -84.1 -28.2 -178.3 11.9 134.2 37.4 125 -0.5 0 0.0 0 0.0 0 0.0 8 25
129 A 129 ASN N H H < TS+ 0 0 -136.7 12.3 179.5 61.4 111.6 68.1 125 -1.4 0 0.0 0 0.0 0 0.0 8 24
130 A 130 ASP D h X T + 0 0 -145.9 87.2 179.0 172.3 38.6 128.8 126 -2.6 134 -1.9 0 0.0 0 0.0 10 28
131 A 131 ARG R H H > TS+ 0 0 -55.3 -41.3 -179.8 59.0 83.8 30.3 0 0.0 135 -2.0 0 0.0 0 0.0 10 35
132 A 132 TYR Y H H > TS+ 0 0 -57.9 -46.7 -179.0 43.1 108.0 22.9 0 0.0 136 -2.1 0 0.0 0 0.0 7 39
133 A 133 ARG R H H > TS+ 0 0 -70.3 -36.0 179.3 56.1 110.0 30.4 0 0.0 137 -1.9 0 0.0 0 0.0 11 40
134 A 134 VAL V H H < TS+ 0 0 -62.6 -36.0 -177.5 33.0 119.6 27.2 130 -1.9 0 0.0 0 0.0 0 0.0 13 48
135 A 135 GLN Q H H < TS+ 0 0 -97.2 -17.3 -178.7 33.1 128.1 45.4 131 -2.0 0 0.0 0 0.0 0 0.0 10 56
136 A 136 ASN N H H < TS+ 0 0 -114.5 -17.0 178.9 73.4 104.6 52.8 132 -2.1 0 0.0 0 0.0 0 0.0 12 47
137 A 137 CYS C S h < TS- 0 0 -93.8 175.5 -176.7 -80.9 90.0 115.4 133 -1.9 0 0.0 0 0.0 0 0.0 14 43
138 A 138 GLU E B B f - 121 0 -86.2 130.8 177.1 -140.4 26.2 125.7 120 -3.2 122 -2.1 0 0.0 140 -0.7 13 48
139 A 139 LEU L S t > TS- 0 0 -84.9 115.3 -178.9 -26.1 89.0 141.2 0 0.0 142 -2.4 0 0.0 0 0.0 8 50
140 A 140 VAL V T T 3 TS- 0 0 42.7 43.4 177.9 -53.2 124.8 34.6 138 -0.7 0 0.0 0 0.0 0 0.0 6 35
141 A 141 GLY G T T 3 TS+ 0 0 77.6 3.8 -179.9 148.0 95.0 60.7 0 0.0 0 0.0 0 0.0 0 0.0 7 38
142 A 142 LEU L t < T - 0 0 -74.6 130.3 -178.6 -103.0 59.8 125.8 139 -2.4 0 0.0 0 0.0 0 0.0 11 54
143 A 143 ALA A E E BE - 90 0 -57.4 116.2 -176.1 -135.5 37.6 110.5 90 -0.9 90 -1.9 91 -0.6 145 -0.8 13 54
144 A 144 ASP D E E BE - 89 0 -84.9 110.1 -179.1 -137.0 15.4 132.5 0 0.0 117 -2.9 0 0.0 0 0.0 14 57
145 A 145 LEU L B e E - 116 0 -64.8 144.0 176.7 -117.0 18.3 103.0 88 -1.7 147 -1.8 143 -0.8 0 0.0 11 64
146 A 146 ASP D t > T - 0 0 -80.7 86.6 -178.1 -178.5 37.1 131.4 115 -2.7 149 -1.9 0 0.0 0 0.0 10 50
147 A 147 THR T T T 3 TS+ 0 0 -69.7 -1.5 177.6 65.0 74.4 62.9 145 -1.8 0 0.0 0 0.0 0 0.0 10 53
148 A 148 ALA A T T 3 TS+ 0 0 -95.0 -8.2 -179.6 105.0 80.0 61.3 0 0.0 0 0.0 0 0.0 0 0.0 7 39
149 A 149 SER S S h > < TS- 0 0 -78.2 131.1 179.2 -141.2 70.1 127.8 146 -1.9 153 -2.5 0 0.0 0 0.0 8 37
150 A 150 ASN N H H > TS+ 0 0 -57.5 -41.1 179.2 52.0 103.3 26.5 0 0.0 154 -2.4 0 0.0 0 0.0 7 30
151 A 151 TYR Y H H > TS+ 0 0 -62.8 -46.1 179.5 47.3 109.8 24.0 0 0.0 155 -2.3 0 0.0 0 0.0 6 30
152 A 152 VAL V H H > TS+ 0 0 -61.1 -45.9 178.6 49.1 113.1 20.1 0 0.0 156 -2.4 0 0.0 0 0.0 12 47
153 A 153 GLN Q H H X TS+ 0 0 -60.3 -42.0 179.7 48.9 111.7 25.3 149 -2.5 157 -2.7 0 0.0 0 0.0 13 43
154 A 154 ASN N H H X TS+ 0 0 -65.7 -37.9 -178.9 50.7 111.4 26.6 150 -2.4 158 -2.1 0 0.0 0 0.0 10 33
155 A 155 THR T H H X TS+ 0 0 -68.5 -42.9 179.0 42.3 113.8 26.4 151 -2.3 159 -1.2 0 0.0 0 0.0 8 46
156 A 156 ILE I H H X TS+ 0 0 -70.0 -44.1 179.1 51.0 114.7 20.3 152 -2.4 160 -2.3 0 0.0 0 0.0 10 59
157 A 157 ALA A H H X TS+ 0 0 -60.5 -35.9 179.6 55.9 106.3 29.6 153 -2.7 161 -2.9 0 0.0 0 0.0 12 48
158 A 158 ALA A H H X TS+ 0 0 -64.2 -37.6 178.3 48.3 107.8 30.2 154 -2.1 162 -1.7 0 0.0 0 0.0 9 36
159 A 159 TYR Y H H X TS+ 0 0 -66.0 -47.2 -180.0 46.4 113.9 21.4 155 -1.2 163 -1.8 0 0.0 0 0.0 9 49
160 A 160 ILE I H H X TS+ 0 0 -63.2 -42.6 -179.6 48.0 113.7 24.0 156 -2.3 164 -2.1 0 0.0 0 0.0 9 51
161 A 161 ASN N H H X TS+ 0 0 -69.2 -30.6 178.5 54.1 109.1 32.4 157 -2.9 165 -1.6 0 0.0 0 0.0 10 37
162 A 162 ASP D H H X TS+ 0 0 -69.4 -38.7 179.6 50.0 108.0 27.9 158 -1.7 166 -1.1 0 0.0 0 0.0 8 37
163 A 163 LEU L H H X >TS+ 0 0 -67.2 -40.7 178.6 52.4 108.1 26.0 159 -1.8 168 -2.2 0 0.0 167 -1.1 9 53
164 A 164 GLN Q H H < 5TS+ 0 0 -62.6 -34.4 -179.5 56.9 104.7 30.5 160 -2.1 0 0.0 0 0.0 0 0.0 10 40
165 A 165 ALA A H H < 5TS+ 0 0 -65.7 -31.9 178.2 51.9 104.8 34.9 161 -1.6 0 0.0 0 0.0 0 0.0 7 31
166 A 166 ILE I H H < 5TS- 0 0 -74.9 -25.9 178.8 -95.1 131.8 43.6 162 -1.1 0 0.0 0 0.0 0 0.0 8 38
167 A 167 GLY G T h < 5T + 0 0 126.0 0.9 179.7 152.5 69.8 64.0 163 -1.1 0 0.0 0 0.0 0 0.0 8 43
168 A 168 VAL V t T - 85 199 -89.5 99.6 -179.5 -145.0 21.1 144.2 198 -2.9 200 -2.2 171 -0.6 176 -0.9 13 63
174 A 174 ASP D E E Ad 3 TS+ 86 0 -64.9 141.3 177.7 3.3 72.9 110.7 85 -2.4 87 -0.6 172 -1.1 0 0.0 11 60
175 A 175 ALA A T g > TS+ 0 0 53.3 38.6 -178.8 161.2 74.5 36.4 0 0.0 178 -1.6 0 0.0 0 0.0 12 66
176 A 176 SER S G G X T + 0 0 -59.7 -32.1 178.6 67.5 66.3 38.1 173 -0.9 179 -2.0 200 -0.7 0 0.0 13 64
177 A 177 LYS K G G 3 TS+ 0 0 -56.7 -29.1 -178.2 59.3 95.4 32.7 200 -1.1 0 0.0 0 0.0 0 0.0 13 63
178 A 178 HIS H G G < TS+ 0 0 -83.6 6.0 178.4 66.5 98.9 69.3 175 -1.6 0 0.0 0 0.0 0 0.0 9 62
179 A 179 VAL V S g < TS- 0 0 -128.9 131.6 179.4 -107.8 93.9 174.9 176 -2.0 0 0.0 0 0.0 0 0.0 13 62
180 A 180 ALA A h > > T - 0 0 -57.0 137.2 -179.5 -128.8 23.8 106.8 0 0.0 184 -1.7 0 0.0 183 -0.7 9 51
181 A 181 ALA A H H > 3 TS+ 0 0 -57.6 -34.2 179.6 58.4 110.9 29.3 0 0.0 185 -2.2 0 0.0 0 0.0 10 45
182 A 182 SER S H H > 3 TS+ 0 0 -65.2 -33.0 177.1 51.6 103.5 33.0 0 0.0 186 -2.0 0 0.0 0 0.0 6 37
183 A 183 ASP D H H > < TS+ 0 0 -70.0 -37.7 178.6 49.8 109.2 30.2 180 -0.7 187 -2.2 0 0.0 0 0.0 10 46
184 A 184 ILE I H H X TS+ 0 0 -68.7 -32.6 177.4 54.0 108.4 29.7 180 -1.7 188 -2.5 0 0.0 0 0.0 10 55
185 A 185 GLN Q H H X TS+ 0 0 -65.3 -42.4 178.6 46.8 109.8 21.7 181 -2.2 189 -1.3 0 0.0 0 0.0 9 40
186 A 186 SER S H H X TS+ 0 0 -64.5 -43.1 179.3 51.0 112.2 24.7 182 -2.0 190 -0.6 0 0.0 0 0.0 9 34
187 A 187 LEU L H H < > TS+ 0 0 -60.7 -45.1 -178.5 53.8 106.5 22.6 183 -2.2 190 -1.5 0 0.0 0 0.0 12 46
188 A 188 MET M H H < > TS+ 0 0 -62.6 -29.4 178.7 64.0 97.8 37.2 184 -2.5 191 -1.0 0 0.0 0 0.0 9 48
189 A 189 ALA A H H < 3 TS+ 0 0 -65.4 -21.4 179.6 48.3 104.7 41.7 185 -1.3 0 0.0 0 0.0 0 0.0 7 32
190 A 190 LYS K T h < < TS+ 0 0 -95.3 -7.8 179.7 94.7 92.7 59.9 187 -1.5 0 0.0 186 -0.6 0 0.0 9 34
191 A 191 VAL V S t < TS- 0 0 -89.4 131.5 -179.1 -121.9 78.3 138.5 188 -1.0 0 0.0 0 0.0 0 0.0 11 39
192 A 192 ASN N - 0 0 -72.4 144.3 177.6 -17.6 67.0 116.0 0 0.0 0 0.0 0 0.0 0 0.0 6 32
193 A 193 GLY G S S S- 0 0 64.0 -151.0 180.0 -66.3 94.9 103.3 0 0.0 0 0.0 0 0.0 0 0.0 4 26
194 A 194 SER S + 0 0 -141.4 73.6 179.8 177.2 56.3 127.2 0 0.0 0 0.0 0 0.0 0 0.0 5 30
195 A 195 PRO P - 0 0 -70.4 167.3 178.0 -87.8 45.4 104.0 0 0.0 0 0.0 0 0.0 0 0.0 8 40
196 A 196 VAL V E E Ag - 170 0 -77.8 126.4 179.2 -174.9 52.6 131.7 169 -2.3 171 -2.4 0 0.0 0 0.0 8 49
197 A 197 VAL V E E Ag - 171 0 -127.5 131.3 175.0 -179.1 12.1 173.7 0 0.0 219 -2.7 0 0.0 0 0.0 11 60
198 A 198 PHE F E E Agh - 172 219 -131.3 133.6 -175.7 -146.7 16.0 177.7 171 -2.2 173 -2.9 0 0.0 0 0.0 12 66
199 A 199 GLN Q E E Agh - 173 220 -103.3 130.6 178.8 -130.5 12.5 150.7 219 -2.6 221 -2.2 0 0.0 201 -0.9 14 61
200 A 200 GLU E e + 0 0 -83.4 106.3 178.5 155.1 42.2 136.2 173 -2.2 177 -1.1 0 0.0 176 -0.7 12 66
201 A 201 VAL V - 0 0 -134.9 115.2 179.2 -152.9 30.8 168.8 199 -0.9 203 -0.8 0 0.0 0 0.0 13 63
202 A 202 ILE I + 0 0 -90.5 110.9 -179.0 163.1 27.0 147.0 0 0.0 0 0.0 0 0.0 0 0.0 9 56
203 A 203 ASP D + 0 0 -137.6 104.8 179.0 157.0 18.8 151.6 201 -0.8 0 0.0 0 0.0 0 0.0 11 46
204 A 204 GLN Q S S S- 0 0 -102.3 3.3 -179.6 -83.2 70.5 71.7 0 0.0 0 0.0 0 0.0 0 0.0 7 38
205 A 205 GLY G S S S+ 0 0 109.3 153.1 178.9 60.3 104.4 99.6 0 0.0 0 0.0 0 0.0 0 0.0 5 27
206 A 206 GLY G + 0 0 76.5 2.3 -179.7 135.4 69.8 63.0 0 0.0 0 0.0 0 0.0 0 0.0 6 25
207 A 207 GLU E - 0 0 -81.2 158.4 178.2 -129.8 62.4 115.8 0 0.0 0 0.0 0 0.0 0 0.0 10 32
208 A 208 ALA A S S S+ 0 0 -75.6 -27.4 179.3 48.8 102.5 37.5 127 -3.2 0 0.0 0 0.0 0 0.0 9 34
209 A 209 VAL V S S S- 0 0 -116.8 120.3 -178.5 -157.2 82.6 164.7 0 0.0 0 0.0 0 0.0 0 0.0 8 39
210 A 210 GLY G g > T - 0 0 -102.3 156.5 179.9 -126.4 25.8 130.6 0 0.0 213 -1.2 0 0.0 0 0.0 10 45
211 A 211 ALA A G G > TS+ 0 0 -64.8 -30.0 -178.9 72.0 104.4 37.2 0 0.0 214 -2.0 0 0.0 0 0.0 11 52
212 A 212 SER S G G > TS+ 0 0 -60.3 -22.8 179.9 69.0 84.9 41.5 0 0.0 215 -1.1 0 0.0 0 0.0 6 44
213 A 213 GLU E G G < TS+ 0 0 -68.9 -19.1 -177.3 50.1 98.6 46.3 210 -1.2 0 0.0 0 0.0 0 0.0 8 41
214 A 214 TYR Y G G X TS+ 0 0 -103.1 7.0 -177.8 98.8 78.0 69.9 211 -2.0 217 -0.8 0 0.0 0 0.0 11 46
215 A 215 LEU L G G X TS+ 0 0 -67.1 -28.6 -179.2 55.4 79.6 37.9 212 -1.1 218 -0.5 0 0.0 0 0.0 10 41
216 A 216 SER S G G 3 TS+ 0 0 -78.4 -19.1 -178.6 51.2 106.2 44.6 0 0.0 0 0.0 0 0.0 0 0.0 5 37
217 A 217 THR T G G < TS- 0 0 -98.7 0.2 179.0 -63.3 122.4 63.3 214 -0.8 0 0.0 0 0.0 0 0.0 10 46
218 A 218 GLY G S g < TS- 0 0 150.5 -170.4 178.0 -30.8 75.7 162.6 215 -0.5 0 0.0 0 0.0 0 0.0 11 51
219 A 219 LEU L E E Ah - 198 0 -74.3 158.9 179.9 -147.9 55.4 112.4 197 -2.7 199 -2.6 0 0.0 0 0.0 13 52
220 A 220 VAL V E E Ahi - 199 256 -134.5 140.8 178.6 -108.6 19.2 173.3 255 -2.8 257 -1.9 0 0.0 0 0.0 14 55
221 A 221 THR T E E A i - 0 257 -67.2 124.2 178.3 -147.8 26.3 121.2 199 -2.2 223 -1.1 0 0.0 0 0.0 12 63
222 A 222 GLU E h > > T + 0 0 -96.3 88.6 -178.9 177.8 19.9 142.0 257 -2.7 225 -1.1 0 0.0 226 -0.7 14 59
223 A 223 PHE F H H > 3 TS+ 0 0 -66.4 -18.9 178.1 70.6 72.2 45.5 221 -1.1 227 -1.8 0 0.0 0 0.0 11 62
224 A 224 LYS K H H > 3 TS+ 0 0 -65.6 -30.0 -178.9 60.6 92.8 34.2 0 0.0 228 -2.9 0 0.0 0 0.0 9 54
225 A 225 TYR Y H H > < TS+ 0 0 -61.3 -52.7 -179.4 44.3 105.6 15.8 222 -1.1 229 -2.2 0 0.0 0 0.0 12 64
226 A 226 SER S H H X TS+ 0 0 -59.7 -44.4 -177.6 42.4 119.2 24.4 222 -0.7 230 -1.8 0 0.0 0 0.0 13 67
227 A 227 THR T H H X TS+ 0 0 -74.1 -41.2 179.5 45.2 116.5 24.1 223 -1.8 231 -2.4 0 0.0 0 0.0 10 49
228 A 228 GLU E H H X TS+ 0 0 -71.9 -32.1 178.9 51.7 112.7 32.8 224 -2.9 232 -2.3 0 0.0 0 0.0 8 51
229 A 229 LEU L H H X TS+ 0 0 -68.7 -43.5 179.4 45.0 113.2 21.0 225 -2.2 233 -2.6 0 0.0 0 0.0 10 61
230 A 230 GLY G H H X TS+ 0 0 -64.6 -43.3 178.9 49.9 113.9 23.5 226 -1.8 234 -1.7 0 0.0 0 0.0 13 49
231 A 231 A ASN N H H X TS+ 0 0 -60.4 -45.1 -178.3 44.1 114.4 26.0 227 -2.4 235 -2.5 0 0.0 0 0.0 11 40
232 A 232 THR T H H X TS+ 0 0 -70.3 -44.6 -180.0 48.4 113.9 21.4 228 -2.3 236 -1.7 0 0.0 0 0.0 11 43
233 A 233 PHE F H H < TS+ 0 0 -67.1 -27.8 -178.8 32.6 123.6 37.2 229 -2.6 0 0.0 0 0.0 0 0.0 11 50
234 A 234 A ARG R H H < TS+ 0 0 -94.2 -51.2 -176.4 12.6 137.6 26.8 230 -1.7 0 0.0 0 0.0 0 0.0 7 41
235 A 235 ASN N H H < TS+ 0 0 -112.7 3.8 -178.2 45.5 117.7 67.4 231 -2.5 0 0.0 0 0.0 0 0.0 6 26
236 A 236 GLY G S h < TS- 0 0 -126.2 -152.8 179.3 -75.2 84.6 108.8 232 -1.7 0 0.0 0 0.0 0 0.0 8 31
237 A 237 SER S g > T - 0 0 -117.1 133.7 179.9 -143.1 21.4 163.6 0 0.0 240 -1.7 0 0.0 0 0.0 11 35
238 A 238 LEU L G G > TS+ 0 0 -62.7 -25.3 179.8 74.8 97.5 38.2 0 0.0 241 -2.1 0 0.0 0 0.0 11 50
239 A 239 ALA A G G > TS+ 0 0 -59.2 -22.7 179.8 68.2 83.2 43.8 366 -2.0 242 -1.1 0 0.0 0 0.0 12 39
240 A 240 TRP W G G X TS+ 0 0 -70.1 -20.5 -177.6 73.9 83.5 45.6 237 -1.7 243 -0.8 0 0.0 0 0.0 9 37
241 A 241 LEU L G G X T + 0 0 -75.6 0.5 -178.5 104.6 60.2 63.3 238 -2.1 244 -2.1 0 0.0 0 0.0 7 56
242 A 242 SER S G G < TS+ 0 0 -55.1 -22.8 179.3 26.5 96.7 44.0 239 -1.1 0 0.0 0 0.0 0 0.0 6 44
243 A 243 ASN N G G > < TS+ 0 0 -128.7 27.3 179.6 157.2 86.8 90.2 240 -0.8 247 -0.5 0 0.0 0 0.0 8 40
244 A 244 PHE F T g 4 < T + 0 0 -53.0 145.0 -179.9 35.1 50.6 99.9 241 -2.1 0 0.0 0 0.0 0 0.0 8 49
245 A 245 GLY G T g 4 >>TS+ 0 0 115.3 -135.0 -179.7 7.9 123.5 158.2 0 0.0 248 -1.9 0 0.0 250 -1.6 12 46
246 A 246 GLU E G G 4 >5TS+ 0 0 -54.7 -32.7 179.7 66.5 123.0 36.2 0 0.0 249 -1.9 0 0.0 0 0.0 10 32
247 A 247 GLY G G G < 35TS+ 0 0 -60.5 -27.9 179.4 48.0 101.4 37.6 243 -0.5 0 0.0 0 0.0 0 0.0 7 24
248 A 248 TRP W G G <5TS- 0 0 -94.3 5.5 179.5 -92.9 130.8 72.7 245 -1.9 0 0.0 0 0.0 0 0.0 7 31
249 A 249 GLY G T g <5TS+ 0 0 96.1 8.6 179.6 144.7 77.7 55.7 246 -1.9 0 0.0 0 0.0 0 0.0 6 32
250 A 250 PHE F t > T - 0 0 -52.6 136.7 -179.2 -125.9 47.6 103.0 0 0.0 255 -2.1 0 0.0 256 -0.8 8 36
253 A 253 SER S G G 4 > TS+ 0 0 -51.8 -43.4 -178.9 57.1 108.4 30.5 0 0.0 256 -0.9 0 0.0 0 0.0 10 40
254 A 254 SER S G G 4 3 TS+ 0 0 -70.8 -4.8 179.0 46.1 109.6 59.3 0 0.0 0 0.0 0 0.0 0 0.0 8 36
255 A 255 SER S G e 4 < TS+ 0 0 -111.1 -8.8 -175.8 98.4 95.4 60.8 252 -2.1 220 -2.8 0 0.0 0 0.0 11 41
256 A 256 ALA A E E T - 0 0 -130.4 178.7 -177.4 -85.1 44.1 142.9 0 0.0 266 -1.6 0 0.0 0 0.0 8 70
263 A 263 HIS H T T 4 TS+ 0 0 -59.5 -25.7 -179.8 42.8 124.0 42.3 0 0.0 0 0.0 0 0.0 0 0.0 9 63
264 A 264 ASP D T g 4 >>TS+ 0 0 -84.4 -58.4 -176.1 44.0 114.0 19.9 0 0.0 269 -2.4 0 0.0 267 -1.6 9 53
265 A 265 ASN N G G 4 >5TS+ 0 0 -67.3 -15.1 177.2 66.5 101.8 47.0 0 0.0 268 -0.8 0 0.0 0 0.0 12 50
266 A 266 GLN Q G G < 35TS+ 0 0 -78.6 -10.4 -179.0 38.0 110.9 51.6 262 -1.6 0 0.0 0 0.0 0 0.0 12 48
267 A 267 A ARG R G G <5TS- 0 0 -128.2 27.8 178.1 -94.4 123.7 88.9 264 -1.6 0 0.0 0 0.0 0 0.0 8 40
268 A 268 GLY G T g <5TS+ 0 0 72.7 13.0 177.9 140.3 76.0 51.4 265 -0.8 270 -1.6 0 0.0 0 0.0 10 29
269 A 269 HIS H S t T - 0 0 -75.0 175.7 -179.0 -93.7 36.7 93.4 0 0.0 275 -1.5 0 0.0 0 0.0 7 32
273 A 273 GLY G T T 3 TS+ 0 0 -68.1 -12.2 178.8 76.7 113.6 54.3 0 0.0 0 0.0 0 0.0 0 0.0 6 33
274 A 274 ASN N T T 3 TS+ 0 0 -72.9 -15.1 178.6 102.8 71.0 46.3 0 0.0 0 0.0 0 0.0 0 0.0 8 37
275 A 275 VAL V S t < TS- 0 0 -68.6 132.9 179.9 -131.6 73.8 117.3 272 -1.5 0 0.0 0 0.0 0 0.0 14 46
276 A 276 ILE I + 0 0 -90.6 134.2 -179.1 167.5 34.6 138.7 0 0.0 0 0.0 0 0.0 0 0.0 14 53
277 A 277 THR T g > T - 0 0 -135.1 -179.3 -179.7 -79.7 54.0 140.2 0 0.0 280 -2.3 0 0.0 0 0.0 10 59
278 A 278 PHE F G G > TS+ 0 0 -54.3 -30.4 179.7 71.3 120.1 37.9 0 0.0 281 -2.0 0 0.0 0 0.0 9 54
279 A 279 GLU E G G 3 TS+ 0 0 -58.6 -24.0 -180.0 62.5 89.3 41.7 0 0.0 0 0.0 0 0.0 0 0.0 6 44
280 A 280 ASP D G G X TS- 0 0 -83.8 2.4 178.3 -169.3 84.7 67.2 277 -2.3 283 -2.0 0 0.0 0 0.0 8 36
281 A 281 GLY G G h > X TS+ 0 0 51.1 -120.6 -179.2 17.3 70.2 100.2 278 -2.0 285 -1.8 0 0.0 284 -1.0 8 41
282 A 282 ARG R H H > 3 TS+ 0 0 -55.4 -30.5 178.5 60.9 123.3 38.5 0 0.0 286 -2.3 0 0.0 0 0.0 7 39
283 A 283 LEU L H H > < TS+ 0 0 -64.4 -36.7 179.1 48.4 105.7 24.6 280 -2.0 287 -2.0 0 0.0 0 0.0 10 48
284 A 284 TYR Y H H > < TS+ 0 0 -68.3 -41.2 177.6 54.6 108.0 24.5 281 -1.0 288 -2.3 0 0.0 0 0.0 12 57
285 A 285 ASP D H H X TS+ 0 0 -55.0 -51.1 -178.1 44.9 111.2 19.3 281 -1.8 289 -2.2 0 0.0 0 0.0 10 56
286 A 286 LEU L H H X TS+ 0 0 -63.9 -38.6 179.5 52.4 110.6 31.0 282 -2.3 290 -1.9 0 0.0 0 0.0 13 65
287 A 287 ALA A H H X TS+ 0 0 -64.9 -41.3 178.8 47.5 112.0 24.9 283 -2.0 291 -2.2 0 0.0 0 0.0 13 72
288 A 288 ASN N H H X TS+ 0 0 -67.0 -40.3 178.2 55.3 107.5 28.9 284 -2.3 292 -2.7 0 0.0 0 0.0 13 74
289 A 289 VAL V H H X TS+ 0 0 -61.0 -40.9 178.6 46.8 110.1 26.8 285 -2.2 293 -1.6 0 0.0 0 0.0 11 73
290 A 290 PHE F H H X TS+ 0 0 -64.8 -52.1 -179.7 48.2 113.0 14.5 286 -1.9 294 -2.5 0 0.0 0 0.0 9 79
291 A 291 MET M H H < TS+ 0 0 -52.3 -48.6 -177.1 44.9 114.8 23.5 287 -2.2 0 0.0 0 0.0 0 0.0 11 80
292 A 292 LEU L H H < TS+ 0 0 -71.7 -27.7 178.3 44.1 116.8 39.1 288 -2.7 0 0.0 0 0.0 0 0.0 12 77
293 A 293 ALA A H H < TS+ 0 0 -85.8 -27.9 -177.9 87.9 97.5 38.3 289 -1.6 0 0.0 0 0.0 0 0.0 10 72
294 A 294 TYR Y S h < TS- 0 0 -78.9 129.7 -178.7 -130.1 79.8 125.7 290 -2.5 296 -1.8 0 0.0 0 0.0 7 73
295 A 295 PRO P + 0 0 -73.8 45.6 178.7 108.3 68.3 100.8 0 0.0 0 0.0 0 0.0 0 0.0 8 60
296 A 296 TYR Y S S S- 0 0 -127.4 132.8 177.0 -23.6 71.4 171.0 294 -1.8 0 0.0 0 0.0 0 0.0 9 59
297 A 297 GLY G S S S- 0 0 68.7 -179.6 179.4 -68.5 79.4 81.8 0 0.0 0 0.0 0 0.0 0 0.0 10 54
298 A 298 TYR Y E E Aj - 257 0 -112.0 103.1 -178.8 -149.4 59.1 161.6 256 -2.1 258 -1.7 0 0.0 0 0.0 11 62
299 A 299 PRO P E E Aj - 258 0 -84.4 146.9 173.7 -159.8 14.1 119.1 0 0.0 5 -2.2 0 0.0 0 0.0 12 69
300 A 300 LYS K E E Ab - 5 0 -121.0 126.8 177.5 -140.5 15.1 173.6 258 -2.0 0 0.0 0 0.0 0 0.0 11 77
301 A 301 VAL V E E Ab - 6 0 -79.3 144.8 179.9 -126.8 22.7 126.8 5 -2.6 7 -2.3 0 0.0 0 0.0 13 70
302 A 302 MET M E E Ab - 7 0 -94.8 145.6 177.0 -165.0 18.3 134.9 0 0.0 0 0.0 0 0.0 0 0.0 15 65
303 A 303 SER S E E Ab + 8 0 -133.4 110.3 -174.8 167.8 24.0 157.4 7 -1.1 9 -1.0 0 0.0 0 0.0 12 68
304 A 304 SER S - 0 0 -114.0 -176.2 175.3 -127.6 31.2 114.8 0 0.0 334 -2.8 0 0.0 335 -1.0 12 64
305 A 305 TYR Y B B G - 333 0 -133.4 147.5 178.9 -99.0 39.4 161.5 0 0.0 307 -0.7 0 0.0 0 0.0 11 54
306 A 306 ASP D - 0 0 -67.0 112.2 -178.6 -170.3 35.3 128.6 332 -2.6 0 0.0 0 0.0 0 0.0 9 42
307 A 307 PHE F t > T - 0 0 -90.9 5.8 177.6 -132.6 27.6 68.1 305 -0.7 310 -2.3 0 0.0 0 0.0 9 39
308 A 308 HIS H T T 3 T - 0 0 47.6 45.8 179.4 -55.2 67.8 31.7 0 0.0 0 0.0 0 0.0 0 0.0 4 26
309 A 309 GLY G T T 3 TS+ 0 0 73.8 -4.2 179.5 119.6 109.6 66.1 0 0.0 311 -0.9 0 0.0 0 0.0 4 25
310 A 310 ASP D t X T - 0 0 -97.7 105.4 -178.6 -172.2 42.0 147.3 307 -2.3 313 -0.5 0 0.0 0 0.0 6 26
311 A 311 THR T T T 3 TS+ 0 0 -74.2 -8.1 177.6 49.9 84.2 58.3 309 -0.9 0 0.0 0 0.0 0 0.0 7 33
312 A 312 ASP D T T 3 TS+ 0 0 -100.5 -17.6 -176.4 115.7 86.7 52.6 0 0.0 46 -1.3 0 0.0 0 0.0 7 30
313 A 313 ALA A t < T - 0 0 -62.9 141.9 177.0 -134.1 58.1 100.1 310 -0.5 0 0.0 0 0.0 0 0.0 9 34
314 A 314 GLY G - 0 0 -77.5 -175.2 -178.0 -73.1 40.7 94.9 0 0.0 0 0.0 0 0.0 0 0.0 10 44
315 A 315 GLY G - 0 0 -76.8 -176.9 179.9 -55.4 64.9 88.9 0 0.0 0 0.0 0 0.0 0 0.0 10 46
316 A 316 PRO P - 0 0 -56.6 152.7 178.9 -129.3 37.6 97.3 0 0.0 0 0.0 0 0.0 0 0.0 8 40
317 A 317 ASN N S S S+ 0 0 -86.2 6.1 -179.5 73.2 91.0 71.3 0 0.0 0 0.0 0 0.0 0 0.0 4 33
318 A 318 A VAL V S S S- 0 0 -122.3 140.7 179.4 -117.4 85.6 158.4 0 0.0 0 0.0 0 0.0 0 0.0 7 34
319 A 319 PRO P - 0 0 -73.1 161.9 179.8 -118.7 23.1 111.3 0 0.0 0 0.0 0 0.0 0 0.0 9 39
320 A 320 VAL V S e S+ 0 0 -63.6 -47.8 179.1 46.4 111.4 20.7 0 0.0 327 -2.8 0 0.0 322 -1.0 10 44
321 A 321 HIS H E E DK S+ 326 0 -99.6 96.7 -174.3 176.2 81.4 146.3 0 0.0 323 -0.7 0 0.0 0 0.0 10 34
322 A 322 ASN N E E DK > T - 325 0 -113.1 96.4 179.0 -48.7 61.5 146.5 325 -2.3 325 -1.7 320 -1.0 0 0.0 9 24
323 A 323 ASN N T T 3 TS- 0 0 49.3 41.8 178.8 -36.4 121.3 31.6 321 -0.7 0 0.0 0 0.0 0 0.0 4 14
324 A 324 GLY G T T 3 TS+ 0 0 100.3 -14.7 178.3 95.3 120.4 73.0 0 0.0 0 0.0 0 0.0 0 0.0 5 15
325 A 325 ASN N E E DK < T - 322 0 -119.1 142.4 -178.2 -126.1 69.9 159.0 322 -1.7 322 -2.3 0 0.0 327 -0.6 6 19
326 A 326 LEU L E E DK - 321 0 -85.0 115.0 179.6 -151.3 10.2 137.5 0 0.0 328 -1.7 0 0.0 0 0.0 7 32
327 A 327 GLU E e + 0 0 -81.7 53.6 -179.1 126.8 55.2 106.5 320 -2.8 333 -1.2 325 -0.6 0 0.0 12 35
328 A 328 CYS C B B h + 333 0 -112.5 164.6 175.5 18.5 49.8 134.9 326 -1.7 0 0.0 0 0.0 0 0.0 9 41
329 A 329 PHE F S S S+ 0 0 69.6 -13.2 -178.5 73.3 104.2 80.5 333 -0.6 0 0.0 0 0.0 0 0.0 9 39
330 A 330 ALA A S S S- 0 0 -101.8 -129.9 -177.9 -46.0 108.9 70.5 333 -0.5 0 0.0 0 0.0 0 0.0 8 30
331 A 331 SER S S S S+ 0 0 -94.3 10.0 177.2 47.1 124.5 75.0 0 0.0 0 0.0 0 0.0 0 0.0 7 29
332 A 332 ASN N S S S+ 0 0 -111.3 -109.4 179.0 5.7 118.3 68.1 0 0.0 306 -2.6 0 0.0 0 0.0 12 36
333 A 333 TRP W B B Gh - 305 328 -79.3 135.1 -180.0 -159.4 58.2 126.9 327 -1.2 329 -0.6 0 0.0 330 -0.5 14 45
334 A 334 LYS K - 0 0 -82.7 -32.2 179.6 -160.2 12.6 35.5 304 -2.8 0 0.0 0 0.0 0 0.0 13 52
335 A 335 CYS C g > T + 0 0 51.2 52.5 -180.0 174.7 16.9 28.2 304 -1.0 338 -2.3 0 0.0 0 0.0 11 61
336 A 336 GLU E G G > TS+ 0 0 -56.4 -31.8 179.8 69.7 71.6 38.1 0 0.0 339 -1.5 0 0.0 0 0.0 12 65
337 A 337 HIS H G G 3 TS+ 0 0 -62.5 -15.5 177.7 48.8 100.6 50.3 0 0.0 0 0.0 0 0.0 0 0.0 10 68
338 A 338 ARG R G G < TS+ 0 0 -99.5 -9.2 179.3 118.0 81.1 62.2 335 -2.3 0 0.0 0 0.0 0 0.0 7 57
339 A 339 TRP W S h > X TS- 0 0 -61.1 132.4 -176.4 -124.8 72.7 115.7 336 -1.5 343 -2.8 0 0.0 342 -0.8 8 48
340 A 340 SER S H H > 3 TS+ 0 0 -51.6 -39.8 179.8 47.5 106.5 36.4 0 0.0 344 -2.0 0 0.0 0 0.0 9 50
341 A 341 TYR Y H H > 3 TS+ 0 0 -71.0 -34.3 -179.0 45.0 116.4 32.3 0 0.0 345 -1.3 0 0.0 0 0.0 13 55
342 A 342 ILE I H H > < TS+ 0 0 -74.7 -50.1 178.4 44.6 115.0 18.4 339 -0.8 346 -2.1 0 0.0 0 0.0 14 67
343 A 343 ALA A H H X TS+ 0 0 -61.2 -38.3 178.2 52.8 114.1 26.4 339 -2.8 347 -2.3 0 0.0 0 0.0 12 62
344 A 344 GLY G H H X TS+ 0 0 -64.1 -37.9 178.4 52.1 106.6 29.5 340 -2.0 348 -2.0 0 0.0 0 0.0 13 65
345 A 345 GLY G H H X TS+ 0 0 -65.1 -39.0 178.3 51.2 108.3 28.3 341 -1.3 349 -2.5 0 0.0 0 0.0 15 73
346 A 346 VAL V H H X TS+ 0 0 -63.3 -44.2 178.7 50.9 108.9 22.5 342 -2.1 350 -2.7 0 0.0 0 0.0 13 70
347 A 347 ASP D H H X TS+ 0 0 -60.4 -39.8 179.6 50.4 110.4 25.5 343 -2.3 351 -1.7 0 0.0 0 0.0 11 64
348 A 348 PHE F H H X TS+ 0 0 -63.8 -47.5 -178.7 47.6 110.7 18.9 344 -2.0 352 -0.6 0 0.0 0 0.0 15 67
349 A 349 ARG R H H < > TS+ 0 0 -61.5 -41.1 -179.5 52.7 110.9 23.4 345 -2.5 352 -1.0 0 0.0 0 0.0 12 62
350 A 350 ASN N H H < 3 TS+ 0 0 -63.3 -34.7 -177.6 44.8 112.3 33.5 346 -2.7 0 0.0 0 0.0 0 0.0 12 51
351 A 351 ASN N H H < 3 TS+ 0 0 -94.8 4.2 179.3 49.5 111.8 66.4 347 -1.7 0 0.0 0 0.0 0 0.0 13 50
352 A 352 THR T S h < X TS+ 0 0 -123.0 15.5 -177.6 113.6 72.5 79.2 349 -1.0 355 -2.0 348 -0.6 0 0.0 12 49
353 A 353 ALA A T T 3 T + 0 0 -68.5 -4.7 179.0 67.0 67.1 59.2 0 0.0 0 0.0 0 0.0 0 0.0 9 42
354 A 354 ASP D T T 3 TS+ 0 0 -94.8 -0.4 178.7 45.8 103.0 65.3 0 0.0 0 0.0 0 0.0 0 0.0 6 30
355 A 355 ASN N t < T + 0 0 -144.8 101.3 -177.8 176.7 58.3 144.1 352 -2.0 0 0.0 0 0.0 0 0.0 8 33
356 A 356 TRP W + 0 0 -92.9 19.5 178.9 104.5 49.4 82.2 0 0.0 0 0.0 0 0.0 0 0.0 8 39
357 A 357 ALA A - 0 0 -100.0 154.1 176.4 -130.1 69.3 131.6 0 0.0 359 -0.7 0 0.0 0 0.0 7 37
358 A 358 VAL V - 0 0 -100.5 112.4 -178.7 -172.1 37.5 159.7 0 0.0 0 0.0 0 0.0 0 0.0 11 48
359 A 359 THR T E E EL + 372 0 -111.1 152.7 177.9 6.3 51.8 144.7 372 -2.3 372 -2.9 357 -0.7 0 0.0 8 39
360 A 360 ASN N E E E* S- 0 0 49.0 54.6 178.6 -162.9 74.5 24.9 0 0.0 0 0.0 0 0.0 0 0.0 9 39
361 A 361 TRP W E E E* + 0 0 -68.6 135.2 178.5 178.1 12.4 120.1 0 0.0 0 0.0 0 0.0 0 0.0 10 43
362 A 362 TRP W E E EL + 370 0 -138.5 142.9 176.0 161.5 6.7 172.4 370 -2.6 370 -2.2 0 0.0 0 0.0 8 43
363 A 363 ASP D E E EL - 369 0 -153.4 165.0 179.2 -126.6 44.3 164.8 0 0.0 0 0.0 0 0.0 0 0.0 10 41
364 A 364 ASN N e - 0 0 -100.4 20.4 -178.6 -98.0 64.6 85.1 368 -1.5 0 0.0 0 0.0 0 0.0 8 34
365 A 365 THR T S S S+ 0 0 79.2 -5.4 -179.1 36.8 108.0 74.8 0 0.0 0 0.0 0 0.0 0 0.0 7 26
366 A 366 ASN N S S S- 0 0 -135.6 -106.0 -176.6 -14.4 121.9 79.2 0 0.0 239 -2.0 0 0.0 0 0.0 8 32
367 A 367 ASN N S e S+ 0 0 -106.0 28.1 175.6 82.1 102.4 88.5 0 0.0 383 -2.8 0 0.0 0 0.0 12 45
368 A 368 GLN Q E E E M + 0 382 -127.7 127.2 179.9 164.4 53.8 179.0 0 0.0 364 -1.5 0 0.0 0 0.0 15 49
369 A 369 ILE I E E ELM + 363 381 -141.1 159.0 178.2 179.9 14.6 166.5 381 -1.9 381 -2.4 0 0.0 0 0.0 13 62
370 A 370 SER S E E ELM + 362 380 -157.2 142.4 177.9 156.6 11.3 166.9 362 -2.2 362 -2.6 0 0.0 0 0.0 13 65
371 A 371 PHE F E E E*M - 0 379 -161.7 163.0 179.9 -140.1 21.3 167.0 379 -1.4 379 -2.5 0 0.0 0 0.0 13 62
372 A 372 GLY G E E ELM - 359 378 -124.7 177.1 176.4 -130.5 20.1 133.0 359 -2.9 359 -2.3 0 0.0 0 0.0 15 58
373 A 373 A ARG R e > T - 0 0 -120.8 56.4 -177.2 -90.3 67.5 126.3 377 -2.5 376 -1.6 0 0.0 0 0.0 13 50
374 A 374 GLY G G T > TS- 0 0 67.3 -144.5 -179.9 -26.4 90.6 107.3 0 0.0 377 -0.7 0 0.0 395 -0.6 13 41
375 A 375 SER S G T 3 TS+ 0 0 -81.8 2.1 -179.7 77.5 129.0 64.7 0 0.0 0 0.0 0 0.0 0 0.0 10 45
376 A 376 SER S G e < TS- 0 0 -82.3 -29.0 -179.6 -26.2 106.7 36.7 373 -1.6 443 -2.4 0 0.0 0 0.0 13 48
377 A 377 GLY G E E E N< T - 0 442 -174.0 169.7 179.6 -150.2 46.5 173.1 374 -0.7 373 -2.5 0 0.0 0 0.0 15 63
378 A 378 HIS H E E EMN - 372 441 -152.3 148.5 -179.1 -177.5 14.6 171.8 441 -2.2 441 -2.5 0 0.0 0 0.0 14 75
379 A 379 MET M E E EMN - 371 440 -143.4 170.5 178.2 -166.8 7.8 154.1 371 -2.5 371 -1.4 0 0.0 0 0.0 12 80
380 A 380 ALA A E E EMN - 370 439 -160.4 142.2 178.3 -160.6 4.6 162.0 439 -2.0 439 -2.3 0 0.0 0 0.0 11 71
381 A 381 ILE I E E EMN - 369 438 -128.1 132.7 177.6 -161.8 3.2 174.3 369 -2.4 369 -1.9 0 0.0 383 -0.6 14 68
382 A 382 ASN N E E EMN + 368 437 -117.2 106.8 178.3 159.8 21.6 160.0 437 -2.8 437 -1.3 0 0.0 436 -0.8 15 53
383 A 383 LYS K e + 0 0 -110.6 20.8 176.6 97.9 47.8 85.9 367 -2.8 0 0.0 381 -0.6 0 0.0 9 52
384 A 384 GLU E S S S- 0 0 -94.5 178.3 -179.9 -112.3 84.4 116.6 0 0.0 436 -0.7 0 0.0 0 0.0 9 37
385 A 385 ASP D S S S+ 0 0 -93.9 0.5 178.6 65.1 95.4 66.3 0 0.0 0 0.0 0 0.0 0 0.0 6 24
386 A 386 SER S S S S- 0 0 -123.6 153.9 -178.8 -86.1 96.6 156.3 0 0.0 0 0.0 0 0.0 0 0.0 6 22
387 A 387 THR T - 0 0 -59.5 137.5 178.3 -128.0 34.4 102.0 0 0.0 389 -0.7 0 0.0 0 0.0 10 28
388 A 388 LEU L B B I + 433 0 -88.8 115.2 -178.9 157.7 40.8 145.3 433 -2.9 433 -2.2 0 0.0 0 0.0 11 35
389 A 389 THR T + 0 0 -124.8 17.0 179.3 134.4 23.3 81.0 387 -0.7 0 0.0 0 0.0 0 0.0 8 35
390 A 390 ALA A e - 0 0 -66.7 153.9 177.6 -122.0 56.6 103.7 0 0.0 431 -2.3 0 0.0 392 -0.5 7 41
391 A 391 THR T E E FO - 430 0 -97.8 123.4 -179.7 -167.3 34.2 152.9 0 0.0 0 0.0 0 0.0 0 0.0 8 37
392 A 392 VAL V E E FO - 429 0 -116.3 150.5 179.1 -121.9 18.7 150.3 429 -2.4 429 -1.9 390 -0.5 0 0.0 10 47
393 A 393 GLN Q E E FO + 428 0 -89.7 134.6 178.7 176.5 33.0 139.3 0 0.0 0 0.0 0 0.0 0 0.0 8 39
394 A 394 THR T e - 0 0 -128.4 169.2 178.3 -133.1 36.4 144.3 427 -1.3 0 0.0 0 0.0 0 0.0 13 48
395 A 395 ASP D + 0 0 -106.8 16.1 -177.9 121.7 68.2 80.8 374 -0.6 0 0.0 0 0.0 0 0.0 8 40
396 A 396 MET M S S S- 0 0 -87.3 152.6 178.8 -100.5 71.0 117.2 0 0.0 0 0.0 0 0.0 0 0.0 12 45
397 A 397 ALA A - 0 0 -65.3 138.2 179.7 -101.9 48.5 115.5 0 0.0 0 0.0 0 0.0 0 0.0 8 34
398 A 398 SER S S S S+ 0 0 -60.6 151.0 -179.6 78.5 77.1 103.8 0 0.0 0 0.0 0 0.0 0 0.0 10 34
399 A 399 GLY G E E GP S- 423 0 146.7 -163.0 -179.7 -50.4 79.8 163.7 423 -2.2 423 -2.8 0 0.0 0 0.0 10 38
400 A 400 GLN Q E E GP - 422 0 -119.1 132.4 -176.9 -178.1 46.9 163.9 0 0.0 447 -3.0 0 0.0 0 0.0 10 45
401 A 401 TYR Y E E GPJ - 421 446 -127.3 154.5 177.4 -112.5 29.0 151.8 421 -2.8 421 -3.1 0 0.0 0 0.0 13 54
402 A 402 CYS C E E GP - 420 0 -85.2 135.0 174.7 -123.5 29.3 132.4 445 -2.2 404 -1.2 0 0.0 0 0.0 17 52
403 A 403 ASN N e > > T - 0 0 -75.1 103.6 -176.7 -158.9 27.8 136.8 419 -2.4 406 -1.6 0 0.0 407 -0.7 14 58
404 A 404 VAL V T T 4 3 TS+ 0 0 -66.4 -9.0 177.4 67.5 83.8 55.3 440 -2.1 0 0.0 402 -1.2 0 0.0 16 61
405 A 405 LEU L T T 4 3 TS+ 0 0 -80.0 -20.1 -177.4 29.8 114.4 42.0 0 0.0 0 0.0 0 0.0 0 0.0 13 60
406 A 406 LYS K T T 4 < TS- 0 0 -119.7 -1.6 -179.5 -20.0 130.6 65.7 403 -1.6 0 0.0 0 0.0 0 0.0 12 45
407 A 407 GLY G t < T - 0 0 178.6 -172.1 -179.0 -109.9 61.3 167.8 403 -0.7 0 0.0 0 0.0 0 0.0 13 42
408 A 408 GLU E - 0 0 -144.6 165.5 180.0 -91.8 29.9 158.0 0 0.0 417 -1.2 0 0.0 0 0.0 11 46
409 A 409 LEU L B B K - 416 0 -76.2 138.8 179.6 -118.9 45.3 122.8 0 0.0 0 0.0 0 0.0 0 0.0 13 39
410 A 410 SER S t > T - 0 0 -72.6 166.3 179.9 -101.9 28.8 106.2 415 -2.6 413 -1.6 0 0.0 0 0.0 9 24
411 A 411 ALA A T T 3 TS+ 0 0 -56.9 -43.1 179.6 44.4 125.7 26.6 0 0.0 0 0.0 0 0.0 0 0.0 5 17
412 A 412 ASP D T T 3 TS- 0 0 -82.2 1.0 -179.9 -128.0 108.0 65.4 0 0.0 0 0.0 0 0.0 0 0.0 5 16
413 A 413 ALA A S t < TS+ 0 0 58.2 27.8 -179.9 114.9 78.9 42.0 410 -1.6 448 -2.7 0 0.0 0 0.0 11 25
414 A 414 LYS K S S S+ 0 0 -104.8 -0.6 179.2 18.9 75.5 62.2 0 0.0 0 0.0 0 0.0 0 0.0 9 22
415 A 415 SER S - 0 0 -161.2 163.3 177.5 -137.5 60.7 169.4 0 0.0 410 -2.6 0 0.0 0 0.0 8 27
416 A 416 CYS C B B K - 409 0 -118.8 162.3 177.0 -139.6 15.7 143.8 0 0.0 0 0.0 0 0.0 0 0.0 13 35
417 A 417 SER S S S S+ 0 0 -96.6 -13.8 178.9 37.6 88.8 58.0 408 -1.2 0 0.0 0 0.0 0 0.0 10 28
418 A 418 GLY G S S S- 0 0 -121.9 -169.3 -178.5 -43.9 109.3 125.8 0 0.0 0 0.0 0 0.0 0 0.0 10 33
419 A 419 GLU E e - 0 0 -61.9 152.4 -179.5 -126.9 54.4 99.6 0 0.0 403 -2.4 0 0.0 0 0.0 9 39
420 A 420 VAL V E E GP - 402 0 -103.0 138.1 179.4 -154.4 15.5 144.1 0 0.0 0 0.0 0 0.0 0 0.0 9 42
421 A 421 ILE I E E GP - 401 0 -113.5 135.5 -178.9 -145.1 10.4 160.0 401 -3.1 401 -2.8 0 0.0 0 0.0 10 54
422 A 422 THR T E E GP - 400 0 -108.2 130.6 175.8 -159.0 7.0 149.4 0 0.0 424 -0.6 0 0.0 0 0.0 10 46
423 A 423 VAL V E E GP - 399 0 -102.8 115.6 -178.7 -135.7 27.5 159.8 399 -2.8 399 -2.2 0 0.0 0 0.0 14 45
424 A 424 ASN N t > T - 0 0 -65.8 168.8 -178.8 -94.3 28.8 98.2 428 -2.7 427 -2.3 422 -0.6 0 0.0 9 28
425 A 425 SER S T T 3 TS+ 0 0 -60.0 -20.3 178.2 53.5 126.6 45.3 0 0.0 0 0.0 0 0.0 0 0.0 8 21
426 A 426 ASP D T T 3 TS- 0 0 -96.8 11.3 180.0 -105.5 121.3 76.8 0 0.0 0 0.0 0 0.0 0 0.0 6 19
427 A 427 GLY G S e < TS+ 0 0 82.8 -2.7 180.0 128.5 78.8 65.5 424 -2.3 394 -1.3 0 0.0 0 0.0 12 37
428 A 428 THR T E E FO - 393 0 -85.0 160.8 176.6 -149.7 45.6 115.0 0 0.0 424 -2.7 0 0.0 0 0.0 11 38
429 A 429 ILE I E E FO - 392 0 -128.9 132.9 178.0 -142.2 10.2 176.2 392 -1.9 392 -2.4 0 0.0 431 -1.0 12 48
430 A 430 ASN N E E FO - 391 0 -95.1 97.6 -177.5 -141.4 32.8 148.5 0 0.0 0 0.0 0 0.0 0 0.0 9 42
431 A 431 LEU L e + 0 0 -62.3 153.8 179.0 177.0 29.2 101.7 390 -2.3 0 0.0 429 -1.0 0 0.0 9 48
432 A 432 ASN N + 0 0 -155.7 68.7 -177.6 153.8 22.3 117.7 0 0.0 434 -0.6 0 0.0 0 0.0 8 37
433 A 433 ILE I B B I - 388 0 -111.3 121.0 -179.8 -136.5 34.4 156.2 388 -2.2 388 -2.9 0 0.0 0 0.0 12 43
434 A 434 GLY G t > T - 0 0 -66.7 170.4 179.8 -65.6 45.0 92.8 432 -0.6 437 -0.8 0 0.0 0 0.0 10 32
435 A 435 ALA A T T 3 TS+ 0 0 -57.7 138.7 179.3 8.1 121.0 106.9 0 0.0 0 0.0 0 0.0 0 0.0 11 28
436 A 436 TRP W T T 3 TS+ 0 0 53.4 50.7 -180.0 108.4 108.8 23.9 382 -0.8 0 0.0 384 -0.7 0 0.0 12 42
437 A 437 ASP D E E EN < T - 382 0 -142.8 177.2 -178.3 -165.1 45.4 147.3 382 -1.3 382 -2.8 434 -0.8 0 0.0 10 48
438 A 438 ALA A E E EN - 381 0 -160.0 171.0 177.3 -144.8 9.4 163.9 0 0.0 0 0.0 0 0.0 0 0.0 12 66
439 A 439 MET M E E EN - 380 0 -145.4 150.4 178.1 -178.0 9.9 170.3 380 -2.3 380 -2.0 0 0.0 0 0.0 12 72
440 A 440 ALA A E E EN + 379 0 -149.9 132.4 178.7 178.6 5.3 163.7 0 0.0 404 -2.1 0 0.0 0 0.0 14 74
441 A 441 ILE I E E EN - 378 0 -134.3 150.0 178.4 -173.8 3.2 166.5 378 -2.5 378 -2.2 0 0.0 0 0.0 14 74
442 A 442 HIS H E E EN > T - 377 0 -143.2 160.2 -176.6 -103.3 39.3 166.5 0 0.0 445 -2.0 0 0.0 0 0.0 13 67
443 A 443 LYS K T e 3 TS+ 0 0 -58.5 -17.7 179.5 58.0 114.7 52.2 376 -2.4 0 0.0 0 0.0 0 0.0 10 49
444 A 444 ASN N T T 3 TS+ 0 0 -99.5 12.5 177.0 56.8 99.5 74.7 0 0.0 0 0.0 0 0.0 0 0.0 5 51
445 A 445 ALA A S t < TS+ 0 0 -133.4 49.2 179.8 134.4 76.2 111.1 442 -2.0 402 -2.2 0 0.0 0 0.0 12 52
446 A 446 LYS K B B J - 401 0 -102.9 131.2 179.7 -119.9 55.6 151.0 0 0.0 0 0.0 0 0.0 0 0.0 12 44
447 A 447 LEU L 0 0 -69.8 149.6 179.1 999.9 999.9 112.9 400 -3.0 0 0.0 0 0.0 0 0.0 12 34
448 A 448 ASN N 0 0 -102.6 999.9 999.9 999.9 999.9 153.7 413 -2.7 0 0.0 0 0.0 0 0.0 4 25
1g94A.pdb
1G94 HYDROLASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEETT HHHHHHHHHHTHHHHT EEEE S BB SSSGGGGGSBS S S BTTB HHHHHHHHHHHHHTT EEEEEEE SEE SS EEBTTS Kabs/Sand
chirality ++------+--+++++++++-++++-+--------+-+--+-+-+++++-+--+-++-+---+++++++++++++-+-------++------+---+-+ chirality
bends S SSSSSSSSSSSSSSS S SSSSSSSSS S S S SSS SSSSSSSSSSSSSSS S SS SSS bends
turns TTTTTTTTTTTTTTTTTTTTTT TTTTTTT TTTTTTTTTTTTTTTTTTTTT TTTT turns
5-turns >>555X<555< >5555< 5-turns
3-turns >33< >33< >>>X<<< >33< >>3<< >33< 3-turns
bridge-2 bbbb cccc ddddd bridge-2
bridge-1 aaa aaa AB A C C cccc EE FFB bridge-1
sheets AAAA AAAA AAAAAAA BB CC sheets
4-turns >>>>XXXX<<44<< >>>>XXXXXXX<<<< 4-turns
summary eEEEEeTthHHHHHHHHHHhHHHHhteEEEE S BB SSgGGGGGgBS S S BTTBhHHHHHHHHHHHHHhTtEEEEEEEeeEE SS EEeTTt summary
sequence TPTTFVHLFEWNWQDVAQECEQYLGPKGYAAVQVSPPNEHITGSQWWTRYQPVSYELQSRGGNRAQFIDMVNRCSAAGVDIYVDTLINHMAAGSGTGTAG sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEBTTB SS GGGB B TTHHHH HHHHHHSBSTT EEB TTSHHHHHHHHHHHHHHHHHT EEEEETGGGS HHHHHHHHHTS S EEEE Kabs/Sand
chirality -+++-++-++--+++---+----+++++++++++++----+-----++-++++++++++++++++-+-+----+++++--++++++++++---+-----+ chirality
bends SS SS SSSS SSSSSS SSSSSSS SSS SSSSSSSSSSSSSSSSSSSS SS SSS SSSSSSSSSSS S bends
turns TTTT TTTTT TTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >>3<< >>><<< >33< >33< >3>X3<<>33< >>3<< 3-turns
bridge-2 gggg hh bridge-2
bridge-1 FFD D E f f EEE ddddd gggg bridge-1
sheets CC BB AAAAA AAAA sheets
4-turns >4>><4>><<<< >>>>XXXXXXXXXXX<<<< >>>>XXX<<<< 4-turns
summary eEEBTTB SS gGGGB B tThHHHHhHHHHHHhBtTTtEEetTThHHHHHHHHHHHHHHHHHhteEEEEEgGGGghHHHHHHHHHht S EEEEe summary
sequence NSFGNKSFPIYSPQDFHESCTINNSDYGNDRYRVQNCELVGLADLDTASNYVQNTIAAYINDLQAIGVKGFRFDASKHVAASDIQSLMAKVNGSPVVFQE sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand SS SS GGGGGGGSEEE HHHHHHHHHHHHHS GGGGGGTTGGGT GGGEEE S TTGGGTSS TTS GGGGHHHHHHHHHHHHS SSEEE Kabs/Sand
chirality -++-++-+--++++++-----++++++++++++++--++++++++++-+---+++--+----++++-+-+--++-+-++-+++++++++++++-+----- chirality
bends SS SS SSSSSSSS SSSSSSSSSSSSSS SSS SS SSSSS SSS S SSSSSSSS SSS SSSSSSSSSSSSSSSSS SS bends
turns TTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTT TTTTTTTT TTTT TTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >>>33< >>>XX<<<>>3<< >>3<< >>3<< >33< >>3XX3<< 3-turns
bridge-2 ii jj bridge-2
bridge-1 hh ii jjb bridge-1
sheets AAA AAA AAA sheets
4-turns >>>>XXXXXXX<<<< >444< >444< >444< >>>>XXXXXX<<<< 4-turns
summary SS SSgGGGGGGGgEEEhHHHHHHHHHHHHHhgGGGGGGggGGGgt gGGeEEE S tTgGGGgtS tTTt gGGGhHHHHHHHHHHHHh SSEEE summary
sequence VIDQGGEAVGASEYLSTGLVTEFKYSTELGNTFRNGSLAWLSNFGEGWGFMPSSSAVVFVDNHDNQRGHGGAGNVITFEDGRLYDLANVFMLAYPYGYPK sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand EEE B TT TT SS SEETTEE BSSSSB GGGSHHHHHHHHHHHHSTT EEEEE SSSEEEEE GGGEEEEEE SSS B EEE S SEE Kabs/Sand
chirality --+-----+-++----+--++--+--+++-++--++++-+++++++++++++++++--+-++--+-++++----+------++-+--++---+-+--+-- chirality
bends S SS SS SS SS SSSS SSSSSSSSSSSSSSSSS S S SSS SSS SSS S SS bends
turns TTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTT TTTTT turns
5-turns 5-turns
3-turns >33X33< >33< >>333X33< >>3<< 3-turns
bridge-2 h MMMMM NNNNNN bridge-2
bridge-1 bbb G KK KK h G L**LL LL*L MMMMM I OOO PP bridge-1
sheets AAA DD DD EEEEE EEEEE EEEEEE FFF GG sheets
4-turns >>>>XXXXXX<<<< 4-turns
summary EEE B tTTtTTt SS eEETTEEeBSSSSB gGGGhHHHHHHHHHHHHhTTt EEEEEeSSeEEEEEeTTeEEEEEEeSSS B eEEEe S SEE summary
sequence VMSSYDFHGDTDAGGPNVPVHNNGNLECFASNWKCEHRWSYIAGGVDFRNNTADNWAVTNWWDNTNNQISFGRGSSGHMAINKEDSTLTATVQTDMASGQ sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand EE TTT B TTSS BSS EEEE TTSEEE B TTEEEEEETTSB Kabs/Sand
chirality ---++-----+-++--+-------+-+---++--++---+--+++- chirality
bends SSS SSSS SS SSS SS SSS bends
turns TTTTT TTTT TTTT TTTT TTTT turns
5-turns 5-turns
3-turns >33< >33< >33< >33< >33< 3-turns
bridge-2 J bridge-2
bridge-1 PP K K PPPP OOO I NNNNNN J bridge-1
sheets GG GGGG FFF EEEEEE sheets
4-turns >444< 4-turns
summary EEeTTTt BtTTtS BSSeEEEEtTTeEEEe BtTTEEEEEEeTtB summary
sequence YCNVLKGELSADAKSCSGEVITVNSDGTINLNIGAWDAMAIHKNAKLN sequence
410 420 430 440