Secondary structure calculation program - copyright by David Keith Smith, 1989
1bob-.pdb
1BOB ACETYLTRANSFERASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 306
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 6 PHE F 0 0 999.9 -75.3 -179.1 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 12
2 7 LYS K g > T - 0 0 65.9 94.2 -180.0 -146.3 999.9 16.2 0 0.0 5 -1.5 0 0.0 0 0.0 4 13
3 8 PRO P G G > TS+ 0 0 -67.4 -3.6 179.5 78.2 88.8 60.6 0 0.0 6 -0.7 0 0.0 0 0.0 6 22
4 9 GLU E G G 3 TS+ 0 0 -77.6 -19.7 178.8 64.8 83.5 47.5 0 0.0 0 0.0 0 0.0 0 0.0 6 21
5 10 THR T G G < TS+ 0 0 -73.7 -16.0 179.5 41.4 108.3 47.7 2 -1.5 0 0.0 0 0.0 0 0.0 8 24
6 11 TRP W S e < TS+ 0 0 -109.1 -1.7 179.5 77.8 105.7 69.5 3 -0.7 43 -2.5 0 0.0 44 -1.3 11 33
7 12 THR T E E AA + 42 0 -112.8 139.0 179.4 170.3 56.3 155.7 0 0.0 0 0.0 0 0.0 0 0.0 12 36
8 13 SER S E E AA - 41 0 -147.8 150.5 178.4 -105.1 38.8 172.4 41 -2.1 41 -3.1 0 0.0 0 0.0 13 41
9 14 SER S E E >AA > T - 40 0 -75.8 126.4 179.9 -146.5 23.0 131.7 0 0.0 13 -2.3 0 0.0 12 -0.5 9 38
10 15 ALA A H H > 3 TS+ 0 0 -63.9 -25.5 -179.9 59.5 98.8 39.5 39 -2.2 14 -1.9 0 0.0 0 0.0 11 50
11 16 ASN N H H 4 3 TS+ 0 0 -72.5 -32.3 179.5 38.2 111.7 32.4 39 -0.6 0 0.0 0 0.0 0 0.0 12 42
12 17 GLU E H H 4 < TS+ 0 0 -86.7 -31.5 -179.6 52.9 115.7 35.9 9 -0.5 0 0.0 0 0.0 0 0.0 8 40
13 18 ALA A H H < TS+ 0 0 -74.0 -35.9 179.2 75.0 95.1 33.4 9 -2.3 49 -2.7 0 0.0 15 -0.7 10 51
14 19 LEU L E E > T + 0 0 -131.0 -7.6 -179.2 99.3 54.3 65.7 0 0.0 35 -2.8 0 0.0 34 -1.6 13 48
32 37 TYR Y H H > 3 TS+ 0 0 -56.0 -32.4 179.7 64.1 74.2 37.4 0 0.0 36 -1.2 0 0.0 0 0.0 9 39
33 38 PRO P H H 4 3 TS+ 0 0 -61.2 -28.8 -178.8 24.5 120.2 30.0 0 0.0 0 0.0 0 0.0 0 0.0 9 38
34 39 ILE I H H 4 < TS+ 0 0 -98.6 -54.5 -178.3 31.0 133.2 28.4 31 -1.6 0 0.0 0 0.0 0 0.0 8 47
35 40 TYR Y H H < >TS- 0 0 -99.2 24.1 179.2 -96.3 113.3 82.3 31 -2.8 40 -0.5 0 0.0 0 0.0 12 44
36 41 GLY G T h < >5T - 0 0 84.9 159.7 -178.5 -63.7 45.9 80.6 32 -1.2 39 -2.3 0 0.0 0 0.0 9 34
37 42 ASP D T T 35TS+ 0 0 -50.7 -35.3 -179.2 56.0 128.6 44.7 0 0.0 0 0.0 0 0.0 0 0.0 6 22
38 43 SER S T T 35TS- 0 0 -76.3 -15.0 -179.6 -142.2 95.0 51.4 0 0.0 0 0.0 0 0.0 0 0.0 6 21
39 44 GLU E T e <5T + 0 0 52.5 38.8 179.2 123.8 60.4 30.9 36 -2.3 10 -2.2 0 0.0 11 -0.6 12 34
40 45 LYS K E E AA Bb T - 19 0 -69.2 136.1 -178.3 -128.3 31.0 125.6 59 -0.8 58 -1.6 0 0.0 0 0.0 12 57
55 60 SER S T e 4 TS+ 0 0 -61.3 -19.0 -178.6 32.8 102.8 45.6 19 -2.8 182 -1.7 0 0.0 0 0.0 10 54
56 61 VAL V T T 4 TS+ 0 0 -102.4 -54.7 -178.1 19.2 134.0 29.3 0 0.0 0 0.0 0 0.0 0 0.0 10 57
57 62 THR T T T 4 TS- 0 0 -94.7 -16.8 -178.1 -134.5 88.6 52.8 0 0.0 0 0.0 0 0.0 0 0.0 13 56
58 63 PHE F t < T + 0 0 60.7 37.4 177.9 178.2 33.9 33.6 54 -1.6 0 0.0 0 0.0 0 0.0 12 65
59 64 LYS K e - 0 0 -69.6 120.7 -179.7 -124.3 28.1 123.8 0 0.0 54 -0.8 0 0.0 0 0.0 12 59
60 65 PRO P E E BE - 53 0 -75.0 148.6 179.0 -172.5 27.1 116.2 0 0.0 92 -2.0 0 0.0 0 0.0 13 59
61 66 TYR Y E E BEf - 52 92 -139.2 129.3 179.7 -168.0 4.6 173.5 52 -1.6 52 -2.4 0 0.0 0 0.0 14 55
62 67 VAL V E E BEf + 51 93 -123.4 144.9 178.5 169.5 11.5 159.0 92 -2.0 94 -2.5 0 0.0 0 0.0 13 51
63 68 ASN N E E BE - 50 0 -158.5 108.0 179.3 -166.8 11.1 138.6 50 -1.6 50 -2.5 0 0.0 0 0.0 10 39
64 69 VAL V E E BE - 49 0 -96.8 128.0 179.1 -179.4 13.6 144.6 0 0.0 0 0.0 0 0.0 0 0.0 11 41
65 70 LYS K E E BE + 48 0 -130.6 144.1 178.2 158.4 8.2 167.5 48 -2.5 48 -1.9 0 0.0 0 0.0 8 35
66 71 TYR Y - 0 0 -158.3 154.0 179.5 -138.0 38.6 168.8 0 0.0 0 0.0 0 0.0 0 0.0 10 35
67 72 SER S S S S- 0 0 -81.9 -40.1 179.1 -6.1 88.6 29.8 45 -2.5 0 0.0 0 0.0 0 0.0 8 22
68 73 ALA A E E CD - 45 0 -148.3 169.9 -178.4 -155.1 61.7 158.9 45 -0.9 45 -2.3 0 0.0 0 0.0 7 28
69 74 LYS K E E CD - 44 0 -152.2 145.8 -179.9 -104.9 25.4 175.2 0 0.0 0 0.0 0 0.0 0 0.0 9 32
70 75 LEU L e - 0 0 -71.6 152.9 -178.8 -141.0 16.8 109.4 43 -2.3 0 0.0 0 0.0 0 0.0 8 28
71 76 GLY G + 0 0 -93.9 -0.7 179.8 127.7 57.8 63.9 0 0.0 0 0.0 0 0.0 0 0.0 5 18
72 77 ASP D t > T - 0 0 -56.3 150.0 -178.6 -124.0 64.5 98.7 0 0.0 75 -0.9 0 0.0 0 0.0 6 18
73 78 ASP D T T 3 TS+ 0 0 -61.5 -56.4 -178.6 48.4 104.1 17.9 0 0.0 75 -0.7 0 0.0 0 0.0 4 12
74 79 ASN N T T 3 TS+ 0 0 -82.6 37.6 177.3 136.8 73.0 95.4 0 0.0 76 -0.7 0 0.0 0 0.0 4 18
75 80 ILE I t < T - 0 0 -84.8 118.9 -178.7 -115.0 61.9 141.2 72 -0.9 0 0.0 73 -0.7 0 0.0 9 27
76 81 VAL V - 0 0 -57.3 137.8 178.9 -121.3 17.3 104.1 74 -0.7 78 -1.3 0 0.0 0 0.0 8 38
77 82 ASP D h > T - 0 0 -84.1 94.3 -179.4 -166.2 26.8 136.4 0 0.0 81 -2.5 0 0.0 0 0.0 6 39
78 83 VAL V H H > TS+ 0 0 -48.6 -46.0 -178.9 44.6 83.3 30.0 76 -1.3 82 -1.8 0 0.0 0 0.0 7 55
79 84 GLU E H H > TS+ 0 0 -68.4 -50.4 -179.8 49.5 112.1 18.7 0 0.0 83 -2.5 0 0.0 0 0.0 9 43
80 85 LYS K H H > TS+ 0 0 -55.2 -43.3 179.1 54.4 109.7 26.8 0 0.0 84 -1.8 0 0.0 0 0.0 7 34
81 86 LYS K H H < TS+ 0 0 -57.0 -51.9 -179.3 45.0 109.7 19.0 77 -2.5 0 0.0 0 0.0 0 0.0 11 38
82 87 LEU L H H < > TS+ 0 0 -60.4 -45.7 -179.7 53.5 111.4 20.5 78 -1.8 85 -1.7 0 0.0 0 0.0 9 56
83 88 LEU L H H < > TS+ 0 0 -59.3 -31.9 -179.3 69.1 95.2 37.6 79 -2.5 86 -1.1 0 0.0 0 0.0 10 43
84 89 SER S T h < 3 TS+ 0 0 -63.2 -17.0 179.4 42.6 104.6 49.8 80 -1.8 0 0.0 0 0.0 0 0.0 8 34
85 90 PHE F T T < TS+ 0 0 -105.3 -8.8 179.5 79.1 104.6 61.5 82 -1.7 0 0.0 0 0.0 0 0.0 8 43
86 91 LEU L S t < TS- 0 0 -96.9 158.0 -179.8 -73.9 102.1 127.6 83 -1.1 0 0.0 0 0.0 0 0.0 12 47
87 92 PRO P t > T - 0 0 -57.6 123.8 -179.3 -105.0 57.8 109.7 0 0.0 90 -1.4 0 0.0 0 0.0 11 40
88 93 LYS K T T 3 TS- 0 0 -53.5 121.3 179.3 -5.9 96.6 105.8 0 0.0 0 0.0 0 0.0 0 0.0 7 27
89 94 ASP D T T 3 TS+ 0 0 58.4 43.9 179.8 95.5 111.0 29.2 0 0.0 0 0.0 0 0.0 0 0.0 4 26
90 95 ASP D t < T + 0 0 -138.5 1.9 -179.4 93.1 60.9 75.0 87 -1.4 0 0.0 0 0.0 0 0.0 8 43
91 96 VAL V - 0 0 -107.9 130.6 178.2 -144.9 63.9 150.5 0 0.0 93 -0.6 0 0.0 0 0.0 12 46
92 97 ILE I E E Bf - 61 0 -93.7 120.9 -179.8 -156.6 20.9 147.8 60 -2.0 62 -2.0 0 0.0 0 0.0 11 40
93 98 VAL V E E Bf - 62 0 -103.6 137.9 178.8 -27.0 58.9 148.1 91 -0.6 95 -3.3 0 0.0 0 0.0 8 38
94 99 ARG R S e S+ 0 0 59.0 -48.5 -179.7 99.7 106.0 99.2 62 -2.5 96 -1.6 0 0.0 0 0.0 8 32
95 100 ASP D h > T + 0 0 -73.3 91.5 -179.5 176.0 46.4 122.1 93 -3.3 99 -1.7 0 0.0 0 0.0 7 24
96 101 GLU E H H > TS+ 0 0 -65.0 -34.8 -179.9 52.9 77.5 36.5 94 -1.6 100 -2.0 0 0.0 0 0.0 9 31
97 102 ALA A H H > TS+ 0 0 -72.4 -32.1 179.0 52.7 106.7 34.8 0 0.0 101 -1.7 0 0.0 0 0.0 6 23
98 103 LYS K H H > TS+ 0 0 -67.1 -42.2 -179.7 52.1 108.6 24.1 0 0.0 102 -2.5 0 0.0 0 0.0 8 25
99 104 TRP W H H X TS+ 0 0 -57.8 -53.7 -179.7 48.0 108.9 18.4 95 -1.7 103 -2.4 0 0.0 0 0.0 11 37
100 105 VAL V H H X TS+ 0 0 -56.9 -41.0 179.8 50.5 111.9 29.9 96 -2.0 104 -2.3 0 0.0 0 0.0 8 37
101 106 ASP D H H X TS+ 0 0 -64.2 -44.6 -179.3 52.2 109.4 22.2 97 -1.7 105 -1.6 0 0.0 0 0.0 8 29
102 107 CYS C H H X TS+ 0 0 -57.5 -53.7 -178.6 36.8 116.5 17.7 98 -2.5 106 -2.5 0 0.0 0 0.0 8 33
103 108 PHE F H H X TS+ 0 0 -73.7 -29.5 178.3 55.0 113.0 38.9 99 -2.4 107 -2.2 0 0.0 0 0.0 11 40
104 109 ALA A H H < TS+ 0 0 -70.5 -28.7 179.5 44.8 114.5 34.1 100 -2.3 0 0.0 0 0.0 0 0.0 8 32
105 110 GLU E H H < > TS+ 0 0 -77.3 -49.2 -179.5 47.4 113.4 21.5 101 -1.6 108 -1.5 0 0.0 0 0.0 7 21
106 111 GLU E H H X 3 TS+ 0 0 -62.5 -33.2 -179.8 72.8 97.4 33.3 102 -2.5 110 -1.7 0 0.0 0 0.0 9 31
107 112 ARG R T h < 3 TS+ 0 0 -56.2 -19.4 179.5 67.8 87.5 46.5 103 -2.2 0 0.0 0 0.0 0 0.0 9 33
108 113 LYS K T T 4 < TS+ 0 0 -66.3 -59.0 -179.6 25.0 111.5 10.8 105 -1.5 0 0.0 0 0.0 0 0.0 6 23
109 114 THR T T T 4 TS+ 0 0 -83.5 -11.8 -179.1 118.3 92.0 52.7 0 0.0 111 -0.9 0 0.0 0 0.0 5 26
110 115 HIS H t < T + 0 0 -61.9 98.2 179.6 147.7 33.8 113.1 106 -1.7 0 0.0 0 0.0 0 0.0 7 35
111 116 ASN N t > T - 0 0 -142.9 111.3 -179.4 -178.5 30.2 153.5 109 -0.9 114 -0.7 0 0.0 0 0.0 6 40
112 117 LEU L T T > 3 TS+ 0 0 -80.6 -10.7 -179.8 72.3 81.3 55.7 0 0.0 116 -2.0 0 0.0 0 0.0 7 48
113 118 SER S T T 4 3 TS+ 0 0 -77.3 -20.6 -180.0 52.7 94.8 45.1 0 0.0 0 0.0 0 0.0 0 0.0 7 35
114 119 ASP D T T 4 < TS+ 0 0 -85.2 -27.9 -178.2 22.2 124.1 41.3 111 -0.7 0 0.0 0 0.0 0 0.0 5 23
115 120 VAL V T T 4 TS+ 0 0 -112.1 -28.0 -178.8 70.6 110.4 45.6 0 0.0 0 0.0 0 0.0 0 0.0 6 30
116 121 PHE F S t < TS- 0 0 -97.4 153.2 -180.0 -119.9 75.5 131.0 112 -2.0 0 0.0 0 0.0 0 0.0 9 37
117 122 GLU E E E DG - 133 0 -91.8 127.5 179.7 -124.4 28.9 138.7 133 -1.7 133 -1.9 0 0.0 0 0.0 8 30
118 123 LYS K E E DG + 132 0 -73.3 136.8 -178.9 178.2 28.7 123.4 0 0.0 0 0.0 0 0.0 0 0.0 9 35
119 124 VAL V E E D* - 0 0 -107.0 -36.6 -177.7 -32.0 56.9 41.0 131 -3.7 0 0.0 0 0.0 0 0.0 11 42
120 125 SER S E E DG - 131 0 -173.3 172.7 178.4 -137.9 46.2 169.0 131 -1.3 131 -2.5 0 0.0 0 0.0 8 41
121 126 GLU E E E DG + 130 0 -145.0 153.5 178.3 167.4 20.2 169.4 0 0.0 0 0.0 0 0.0 0 0.0 8 40
122 127 TYR Y E E DG - 129 0 -161.2 163.4 -179.6 -126.1 26.2 169.3 129 -1.7 129 -2.7 0 0.0 0 0.0 8 34
123 128 SER S E E DG + 128 0 -120.7 135.4 175.6 175.7 19.4 153.6 0 0.0 0 0.0 0 0.0 0 0.0 8 28
124 129 LEU L E E DG > TS- 127 0 -132.3 102.2 177.3 -8.8 81.2 151.6 127 -1.7 127 -0.8 0 0.0 0 0.0 10 29
125 130 ASN N T T 3 TS- 0 0 78.0 40.0 -179.9 -53.5 129.6 24.2 0 0.0 0 0.0 0 0.0 0 0.0 4 18
126 131 GLY G T T 3 TS+ 0 0 90.4 -34.4 -178.6 112.9 111.9 93.7 0 0.0 0 0.0 0 0.0 0 0.0 5 16
127 132 GLU E E E DG < T - 124 0 -82.5 141.3 178.9 -132.1 61.0 122.3 124 -0.8 124 -1.7 0 0.0 0 0.0 8 25
128 133 GLU E E E DG - 123 0 -88.2 141.5 -179.9 -165.2 20.9 128.9 0 0.0 177 -2.3 0 0.0 0 0.0 11 31
129 134 PHE F E E DGH - 122 176 -130.7 142.5 -177.9 -151.1 4.1 165.3 122 -2.7 122 -1.7 0 0.0 0 0.0 12 45
130 135 VAL V E E DGH - 121 175 -120.1 142.1 179.4 -153.9 3.3 156.3 175 -2.9 175 -2.6 0 0.0 132 -0.5 13 51
131 136 VAL V E E DGH + 120 174 -113.2 123.5 179.0 174.2 21.2 163.8 120 -2.5 119 -3.7 0 0.0 120 -1.3 14 57
132 137 TYR Y E E DGH - 118 173 -122.7 164.6 178.5 -155.7 12.1 148.0 173 -2.4 173 -3.1 130 -0.5 0 0.0 13 51
133 138 LYS K E E DGH + 117 172 -139.6 159.4 179.3 160.6 16.2 161.5 117 -1.9 117 -1.7 0 0.0 0 0.0 12 54
134 139 SER S E E D H - 0 171 -166.4 169.2 177.1 -111.9 33.5 166.7 171 -2.0 171 -2.5 0 0.0 0 0.0 10 45
135 140 SER S - 0 0 -91.8 -164.6 178.2 -115.8 32.4 97.2 0 0.0 0 0.0 0 0.0 0 0.0 10 39
136 141 LEU L S S S+ 0 0 -124.8 26.6 -179.8 93.3 90.8 92.3 0 0.0 0 0.0 0 0.0 0 0.0 13 40
137 142 VAL V + 0 0 -87.4 -40.7 -179.7 75.7 69.2 27.5 0 0.0 0 0.0 0 0.0 0 0.0 9 26
138 143 ASP D S h > TS- 0 0 -75.4 150.1 -178.6 -121.4 84.9 111.1 0 0.0 142 -2.0 0 0.0 0 0.0 7 27
139 144 ASP D H H > TS+ 0 0 -56.6 -38.6 -179.8 56.3 107.2 35.9 0 0.0 143 -1.9 0 0.0 0 0.0 7 28
140 145 PHE F H H > TS+ 0 0 -62.9 -53.0 180.0 42.1 110.2 17.2 0 0.0 144 -2.3 0 0.0 0 0.0 6 38
141 146 ALA A H H > TS+ 0 0 -62.4 -40.9 -179.7 52.5 114.2 25.5 0 0.0 145 -2.8 0 0.0 0 0.0 11 49
142 147 ARG R H H X TS+ 0 0 -62.8 -36.6 -179.6 50.6 109.2 28.7 138 -2.0 146 -1.9 0 0.0 0 0.0 11 45
143 148 ARG R H H X TS+ 0 0 -66.9 -47.6 179.7 44.2 112.9 20.5 139 -1.9 147 -0.8 0 0.0 0 0.0 9 47
144 149 MET M H H X > TS+ 0 0 -64.8 -40.2 -179.8 53.9 111.9 24.7 140 -2.3 148 -2.1 0 0.0 147 -0.6 10 61
145 150 HIS H H H X 3 TS+ 0 0 -62.8 -42.6 179.0 51.4 105.6 27.0 141 -2.8 149 -2.4 0 0.0 0 0.0 8 61
146 151 ARG R H H < 3 TS+ 0 0 -68.0 -19.0 178.3 51.4 111.2 44.7 142 -1.9 0 0.0 0 0.0 0 0.0 10 52
147 152 ARG R H H < < TS+ 0 0 -83.7 -41.0 -178.9 32.3 118.8 27.6 143 -0.8 0 0.0 144 -0.6 0 0.0 12 57
148 153 VAL V H H < > TS+ 0 0 -87.9 -20.7 -179.7 90.4 96.7 43.6 144 -2.1 151 -2.4 0 0.0 0 0.0 9 64
149 154 GLN Q T h X > TS+ 0 0 -43.0 -43.9 -178.3 64.8 75.1 39.7 145 -2.4 152 -1.4 0 0.0 153 -0.7 9 64
150 155 ILE I H H > 3 TS+ 0 0 -59.2 -23.9 179.5 71.5 87.8 41.4 0 0.0 154 -1.7 0 0.0 0 0.0 10 65
151 156 PHE F H H > < TS+ 0 0 -61.6 -33.7 179.2 57.9 91.1 32.1 148 -2.4 155 -1.8 0 0.0 0 0.0 10 64
152 157 SER S H H > < TS+ 0 0 -62.6 -42.1 -179.7 45.5 108.6 24.3 149 -1.4 156 -2.5 0 0.0 0 0.0 13 49
153 158 LEU L H H < TS+ 0 0 -70.4 -33.1 -179.4 47.0 115.5 37.6 149 -0.7 0 0.0 0 0.0 0 0.0 15 51
154 159 LEU L H H < TS+ 0 0 -83.0 -20.4 -177.3 19.7 129.3 46.2 150 -1.7 30 -2.7 0 0.0 29 -2.0 12 52
155 160 PHE F H H < TS+ 0 0 -128.4 -9.7 179.7 66.7 111.6 57.3 151 -1.8 157 -0.6 0 0.0 0 0.0 9 48
156 161 ILE I S h < > TS- 0 0 -119.5 111.2 -179.4 -134.3 77.1 161.6 152 -2.5 159 -1.5 0 0.0 0 0.0 10 43
157 162 GLU E T T 3 TS+ 0 0 -63.9 143.8 179.9 14.1 87.6 109.6 155 -0.6 0 0.0 0 0.0 0 0.0 8 35
158 163 ALA A T T 3 TS+ 0 0 69.8 5.0 178.4 147.6 91.6 63.0 0 0.0 0 0.0 0 0.0 0 0.0 5 32
159 164 ALA A t < T - 0 0 -68.6 152.0 178.5 -170.2 26.0 106.6 156 -1.5 0 0.0 0 0.0 0 0.0 8 37
160 165 ASN N - 0 0 -140.8 153.4 179.0 -93.2 32.9 166.0 0 0.0 0 0.0 0 0.0 0 0.0 6 36
161 166 TYR Y - 0 0 -69.9 132.0 179.2 -130.0 43.8 121.4 0 0.0 0 0.0 0 0.0 0 0.0 6 40
162 167 ILE I - 0 0 -78.7 160.1 178.3 -100.6 24.3 112.0 0 0.0 164 -0.9 0 0.0 0 0.0 4 45
163 168 ASP D t > T - 0 0 -83.3 110.2 -178.4 -157.2 29.8 137.8 0 0.0 166 -1.6 0 0.0 0 0.0 5 29
164 169 GLU E T T 3 TS+ 0 0 -63.6 -16.7 179.9 63.4 86.0 49.1 162 -0.9 0 0.0 0 0.0 0 0.0 9 36
165 170 THR T T T 3 TS+ 0 0 -84.4 -11.7 178.6 106.5 73.2 53.1 0 0.0 0 0.0 0 0.0 0 0.0 6 25
166 171 ASP D t X T - 0 0 -70.0 116.0 -179.8 -151.6 63.5 125.8 163 -1.6 169 -1.5 0 0.0 0 0.0 6 25
167 172 PRO P T T 3 TS+ 0 0 -63.4 -18.9 -179.7 75.2 86.5 48.2 0 0.0 0 0.0 0 0.0 0 0.0 9 26
168 173 SER S T e 3 TS+ 0 0 -72.1 -10.0 179.5 102.0 74.9 54.9 0 0.0 190 -1.9 0 0.0 0 0.0 7 34
169 174 TRP W E E D I< T + 0 189 -79.3 140.9 178.2 173.4 44.3 122.8 166 -1.5 0 0.0 0 0.0 0 0.0 12 40
170 175 GLN Q E E D I - 0 188 -148.1 123.1 -179.0 -153.0 15.1 161.8 188 -1.8 188 -2.5 0 0.0 0 0.0 13 52
171 176 ILE I E E DHI - 134 187 -102.1 144.3 176.3 -151.0 2.8 142.2 134 -2.5 134 -2.0 0 0.0 0 0.0 12 66
172 177 TYR Y E E DHI - 133 186 -111.3 133.4 -178.1 -158.2 13.9 159.4 186 -2.4 186 -2.0 0 0.0 0 0.0 12 63
173 178 TRP W E E DHI - 132 185 -119.0 127.3 179.3 -158.5 3.9 164.6 132 -3.1 132 -2.4 0 0.0 175 -0.6 12 70
174 179 LEU L E E DHI + 131 184 -105.1 120.6 178.5 166.0 23.7 154.1 184 -2.2 183 -3.2 0 0.0 184 -1.4 13 66
175 180 LEU L E E DHI - 130 182 -137.0 157.3 177.3 -100.7 44.3 160.4 130 -2.6 130 -2.9 173 -0.6 0 0.0 12 59
176 181 ASN N E E >DH T - 129 0 -70.0 126.7 -178.2 -140.0 35.8 127.7 181 -2.1 180 -1.9 0 0.0 0 0.0 13 50
177 182 LYS K T e 4 TS+ 0 0 -57.5 -54.3 -178.6 33.5 94.3 18.3 128 -2.3 0 0.0 0 0.0 0 0.0 10 37
178 183 LYS K T T 4 TS+ 0 0 -73.4 -41.4 -178.8 34.1 129.0 25.5 0 0.0 0 0.0 0 0.0 0 0.0 5 29
179 184 THR T T T 4 TS- 0 0 -91.0 -12.7 179.7 -139.7 90.7 54.8 0 0.0 0 0.0 0 0.0 0 0.0 6 35
180 185 LYS K t < T + 0 0 63.3 15.6 179.1 155.6 45.0 51.7 176 -1.9 0 0.0 0 0.0 0 0.0 8 44
181 186 GLU E e - 0 0 -74.9 137.9 -179.6 -116.0 48.8 121.8 0 0.0 176 -2.1 0 0.0 183 -0.6 10 52
182 187 LEU L E E DI + 175 0 -79.4 118.1 -179.5 177.1 34.2 132.4 55 -1.7 0 0.0 0 0.0 0 0.0 13 64
183 188 ILE I E E D* - 0 0 -89.7 -34.1 179.6 -35.2 60.3 38.8 174 -3.2 209 -1.9 181 -0.6 0 0.0 11 62
184 189 GLY G E E DIJ - 174 208 -173.4 178.0 179.5 -139.7 52.3 166.6 174 -1.4 174 -2.2 0 0.0 0 0.0 11 63
185 190 PHE F E E DIJ - 173 207 -152.1 162.8 -179.5 -153.1 2.3 168.5 207 -2.4 207 -2.6 0 0.0 0 0.0 12 70
186 191 VAL V E E DIJ - 172 206 -144.1 125.3 177.4 -151.6 7.6 168.0 172 -2.0 172 -2.4 0 0.0 188 -0.5 12 70
187 192 THR T E E DIJ - 171 205 -96.6 124.1 -179.4 -178.0 25.6 150.1 205 -2.2 204 -2.3 0 0.0 205 -1.5 12 62
188 193 THR T E E DIJ - 170 203 -120.1 163.4 -177.9 -142.8 15.9 150.5 170 -2.5 170 -1.8 186 -0.5 0 0.0 13 59
189 194 TYR Y E E DIJ - 169 202 -136.0 121.1 178.6 -159.1 3.0 166.7 202 -2.4 202 -1.7 0 0.0 191 -0.7 11 45
190 195 LYS K E E D J + 0 201 -96.8 111.9 -179.0 155.0 32.9 149.6 168 -1.9 0 0.0 0 0.0 0 0.0 11 46
191 196 TYR Y E E D J - 0 200 -138.8 153.1 176.6 -176.8 20.5 164.0 200 -2.2 200 -3.0 189 -0.7 0 0.0 8 29
192 197 TRP W - 0 0 -135.8 -179.7 -178.7 -171.1 12.8 140.9 0 0.0 0 0.0 0 0.0 0 0.0 7 23
193 198 HIS H 0 0 -139.8 -50.1 178.8 999.9 999.9 62.3 0 0.0 0 0.0 0 0.0 0 0.0 3 16
194! 199 TYR Y 0 0 174.6 999.9 999.9 999.9 999.9 132.3 0 0.0 0 0.0 0 0.0 0 0.0 2 13
195! 209 ILE I 0 0 999.9 -72.2 179.3 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 6
196 210 ASP D - 0 0 -97.0 173.8 -178.4 -119.6 999.9 115.2 0 0.0 0 0.0 0 0.0 0 0.0 4 11
197 211 LYS K - 0 0 -118.0 160.4 179.3 -133.3 9.7 141.3 0 0.0 0 0.0 0 0.0 0 0.0 5 18
198 212 LYS K - 0 0 -108.5 152.5 -179.1 -178.2 24.5 142.7 0 0.0 0 0.0 0 0.0 0 0.0 8 26
199 213 PHE F E E D k - 0 235 -146.1 163.0 176.0 -126.9 27.4 162.7 234 -2.3 236 -3.2 0 0.0 237 -0.7 11 34
200 214 ARG R E E DJk - 191 237 -109.9 134.0 179.9 -148.7 28.5 157.6 191 -3.0 191 -2.2 0 0.0 0 0.0 12 41
201 215 ALA A E E DJk - 190 238 -109.3 130.8 178.7 -174.2 15.9 157.5 237 -2.8 239 -2.4 0 0.0 0 0.0 14 49
202 216 LYS K E E DJk - 189 239 -129.9 140.1 178.5 -133.4 24.4 169.5 189 -1.7 189 -2.4 0 0.0 204 -0.7 11 48
203 217 ILE I E E DJk + 188 240 -87.6 116.6 -179.4 170.4 28.8 144.5 239 -1.8 241 -2.5 0 0.0 0 0.0 12 57
204 218 SER S E E D* + 0 0 -93.9 -50.2 179.4 14.5 66.0 30.3 187 -2.3 0 0.0 202 -0.7 0 0.0 11 49
205 219 GLN Q E E DJ - 187 0 -133.1 130.6 -179.1 -179.2 61.7 178.0 187 -1.5 187 -2.2 0 0.0 0 0.0 10 56
206 220 PHE F E E DJ + 186 0 -131.4 120.2 -178.8 168.2 13.2 171.0 0 0.0 0 0.0 0 0.0 0 0.0 9 67
207 221 LEU L E E DJ - 185 0 -145.5 130.3 176.9 -173.8 24.8 166.9 185 -2.6 185 -2.4 0 0.0 209 -0.5 10 62
208 222 ILE I E E DJ - 184 0 -113.6 121.0 -179.2 -109.4 45.6 169.1 0 0.0 0 0.0 0 0.0 0 0.0 11 55
209 223 PHE F e > T - 0 0 -53.1 138.5 -179.4 -109.0 31.9 102.5 183 -1.9 212 -2.5 207 -0.5 0 0.0 9 58
210 224 PRO P G G > TS+ 0 0 -40.1 -36.9 179.9 60.4 114.0 46.7 0 0.0 213 -0.5 0 0.0 0 0.0 6 44
211 225 PRO P G G 3 TS+ 0 0 -72.6 -9.5 -177.0 42.6 110.8 53.8 0 0.0 0 0.0 0 0.0 0 0.0 6 42
212 226 TYR Y G G < TS+ 0 0 -115.1 -3.5 -179.1 113.0 89.1 65.3 209 -2.5 0 0.0 0 0.0 0 0.0 9 46
213 227 GLN Q g < T + 0 0 -69.6 166.1 -180.0 33.8 64.8 98.8 210 -0.5 0 0.0 0 0.0 0 0.0 10 35
214 228 ASN N S S S+ 0 0 57.2 39.0 -179.7 97.8 91.6 31.8 0 0.0 0 0.0 0 0.0 0 0.0 5 24
215 229 LYS K S S S- 0 0 -130.9 -4.7 179.3 -92.4 104.7 68.9 0 0.0 0 0.0 0 0.0 0 0.0 6 29
216 230 GLY G S h > TS+ 0 0 106.6 -2.4 -178.7 117.5 91.1 70.0 0 0.0 220 -2.1 0 0.0 0 0.0 8 40
217 231 HIS H H H > TS+ 0 0 -61.7 -53.1 -179.7 51.7 71.9 24.7 0 0.0 221 -3.6 0 0.0 0 0.0 11 50
218 232 GLY G H H > TS+ 0 0 -54.5 -35.8 179.3 48.2 112.7 32.7 0 0.0 222 -1.9 0 0.0 0 0.0 10 54
219 233 SER S H H > TS+ 0 0 -70.8 -47.0 -179.8 42.7 115.5 20.3 0 0.0 223 -2.7 0 0.0 0 0.0 9 48
220 234 CYS C H H X TS+ 0 0 -67.0 -38.8 179.9 48.8 116.1 28.5 216 -2.1 224 -2.0 0 0.0 0 0.0 9 50
221 235 LEU L H H X TS+ 0 0 -68.0 -40.5 179.2 47.2 113.5 28.3 217 -3.6 225 -1.8 0 0.0 0 0.0 10 57
222 236 TYR Y H H X TS+ 0 0 -65.4 -49.2 -179.6 47.7 113.3 18.2 218 -1.9 226 -2.7 0 0.0 0 0.0 10 64
223 237 GLU E H H X TS+ 0 0 -61.5 -34.7 179.8 54.4 109.8 32.6 219 -2.7 227 -2.5 0 0.0 0 0.0 9 53
224 238 ALA A H H X TS+ 0 0 -65.6 -45.2 -179.6 43.2 111.6 23.8 220 -2.0 228 -1.7 0 0.0 0 0.0 11 49
225 239 ILE I H H X TS+ 0 0 -67.3 -46.2 -180.0 46.8 116.6 21.9 221 -1.8 229 -2.4 0 0.0 0 0.0 9 60
226 240 ILE I H H X TS+ 0 0 -61.4 -52.8 -179.9 48.7 112.4 15.7 222 -2.7 230 -2.7 0 0.0 0 0.0 9 59
227 241 GLN Q H H X TS+ 0 0 -55.4 -36.4 179.1 51.6 112.2 28.6 223 -2.5 231 -1.8 0 0.0 0 0.0 8 46
228 242 SER S H H X TS+ 0 0 -65.6 -46.3 -179.3 45.5 111.1 24.0 224 -1.7 232 -1.1 0 0.0 0 0.0 9 47
229 243 TRP W H H < TS+ 0 0 -68.3 -31.9 179.4 57.6 108.0 35.5 225 -2.4 0 0.0 0 0.0 0 0.0 11 47
230 244 LEU L H H < TS+ 0 0 -64.3 -42.0 -179.3 48.5 107.3 21.9 226 -2.7 0 0.0 0 0.0 0 0.0 10 38
231 245 GLU E H H < TS+ 0 0 -70.7 -25.3 179.4 89.7 91.4 42.6 227 -1.8 233 -0.9 0 0.0 0 0.0 6 26
232 246 ASP D h < > T - 0 0 -79.6 106.7 -178.6 -160.2 64.8 131.2 228 -1.1 235 -2.0 0 0.0 0 0.0 7 29
233 247 LYS K T T 3 TS+ 0 0 -59.5 -23.4 179.6 64.6 86.1 44.9 231 -0.9 0 0.0 0 0.0 0 0.0 7 24
234 248 SER S T e 3 TS+ 0 0 -78.1 -11.3 179.2 91.4 82.6 55.0 0 0.0 199 -2.3 0 0.0 236 -0.7 8 30
235 249 ILE I E E Dk < T + 199 0 -92.1 116.7 -179.1 177.8 49.8 143.7 232 -2.0 0 0.0 0 0.0 0 0.0 12 38
236 250 THR T E E D* + 0 0 -79.2 -54.5 -176.8 7.7 62.8 21.6 199 -3.2 0 0.0 234 -0.7 0 0.0 11 38
237 251 GLU E E E Dk - 200 0 -136.8 152.5 -179.9 -145.3 58.0 163.1 199 -0.7 201 -2.8 0 0.0 0 0.0 11 44
238 252 ILE I E E Dka + 201 288 -121.7 121.1 -179.6 167.1 28.0 165.7 287 -3.0 289 -0.6 0 0.0 0 0.0 13 50
239 253 THR T E E Dk - 202 0 -132.9 162.6 179.9 -127.5 29.7 149.5 201 -2.4 203 -1.8 0 0.0 0 0.0 10 51
240 254 VAL V E E Dk - 203 0 -116.5 123.6 -179.6 -131.9 21.0 162.8 0 0.0 0 0.0 0 0.0 0 0.0 8 46
241 255 GLU E S e S- 0 0 -76.3 118.1 178.5 -37.9 74.1 128.0 203 -2.5 0 0.0 0 0.0 0 0.0 8 40
242 256 ASP D S S S- 0 0 30.4 64.4 179.9 -160.7 77.3 41.8 0 0.0 0 0.0 0 0.0 0 0.0 5 32
243 257 PRO P - 0 0 -68.9 150.1 179.1 -134.7 5.7 106.6 0 0.0 0 0.0 0 0.0 0 0.0 8 36
244 258 ASN N h > T - 0 0 -97.2 176.8 -179.1 -86.9 35.1 114.9 0 0.0 248 -2.8 0 0.0 0 0.0 6 28
245 259 GLU E H H > TS+ 0 0 -48.6 -51.1 -178.4 47.2 126.7 26.6 0 0.0 249 -2.1 0 0.0 0 0.0 6 20
246 260 ALA A H H > TS+ 0 0 -63.7 -39.6 179.1 44.1 115.3 31.5 0 0.0 250 -1.3 0 0.0 0 0.0 7 30
247 261 PHE F H H > TS+ 0 0 -75.5 -33.5 178.6 56.4 109.5 33.0 0 0.0 251 -3.3 0 0.0 0 0.0 8 42
248 262 ASP D H H X TS+ 0 0 -60.6 -45.4 179.4 49.1 108.0 19.8 244 -2.8 252 -2.7 0 0.0 0 0.0 9 36
249 263 ASP D H H X TS+ 0 0 -61.5 -38.6 180.0 44.5 114.8 31.4 245 -2.1 253 -1.9 0 0.0 0 0.0 8 27
250 264 LEU L H H X TS+ 0 0 -71.5 -48.0 178.7 51.6 111.9 21.3 246 -1.3 254 -2.2 0 0.0 0 0.0 10 40
251 265 ARG R H H X TS+ 0 0 -51.9 -51.5 -179.7 45.9 113.6 19.4 247 -3.3 255 -2.2 0 0.0 0 0.0 9 51
252 266 ASP D H H X TS+ 0 0 -61.3 -45.4 -178.6 52.9 109.4 29.2 248 -2.7 256 -2.7 0 0.0 0 0.0 9 41
253 267 ARG R H H X TS+ 0 0 -60.9 -44.2 -179.7 39.5 115.7 22.7 249 -1.9 257 -1.8 0 0.0 0 0.0 8 37
254 268 ASN N H H X TS+ 0 0 -74.8 -34.5 179.3 52.3 115.2 34.0 250 -2.2 258 -1.3 0 0.0 0 0.0 11 41
255 269 ASP D H H X TS+ 0 0 -65.5 -48.9 179.3 49.0 109.7 19.3 251 -2.2 259 -2.4 0 0.0 0 0.0 9 51
256 270 ILE I H H X TS+ 0 0 -54.4 -51.6 -179.3 49.0 111.8 19.5 252 -2.7 260 -2.3 0 0.0 0 0.0 10 43
257 271 GLN Q H H X TS+ 0 0 -62.4 -28.9 179.8 51.3 110.4 40.5 253 -1.8 261 -1.5 0 0.0 0 0.0 8 34
258 272 ARG R H H X TS+ 0 0 -75.6 -44.5 179.8 47.2 110.7 23.3 254 -1.3 262 -0.6 0 0.0 0 0.0 8 41
259 273 LEU L H H < >>TS+ 0 0 -63.6 -39.0 179.8 51.8 111.5 28.1 255 -2.4 264 -2.1 0 0.0 262 -0.6 10 43
260 274 ARG R H H < >5TS+ 0 0 -65.4 -41.7 179.2 54.2 104.7 26.9 256 -2.3 263 -2.0 0 0.0 0 0.0 9 28
261 275 LYS K H H < 35TS+ 0 0 -66.4 -17.1 178.6 55.3 106.2 48.6 257 -1.5 0 0.0 0 0.0 0 0.0 7 20
262 276 LEU L T h < <5TS- 0 0 -95.2 3.2 178.9 -109.6 122.6 71.2 258 -0.6 0 0.0 259 -0.6 0 0.0 7 25
263 277 GLY G T h > X5TS+ 0 0 84.1 1.6 179.6 130.1 80.8 63.5 260 -2.0 266 -1.2 0 0.0 267 -1.2 8 24
264 278 TYR Y H H > 3 TS+ 0 0 -60.5 -35.3 178.8 48.1 104.9 31.3 263 -1.2 270 -0.8 0 0.0 0 0.0 7 38
268 282 PHE F T h < 3 TS+ 0 0 -95.8 31.1 178.8 70.1 100.0 94.0 264 -1.9 0 0.0 0 0.0 0 0.0 10 37
269 283 GLN Q T T < T + 0 0 -129.6 15.6 178.4 114.9 67.8 89.7 266 -1.6 271 -0.8 0 0.0 0 0.0 10 27
270 284 LYS K t X T - 0 0 -94.4 107.1 -178.8 -139.4 66.6 149.2 267 -0.8 272 -2.5 0 0.0 273 -0.9 8 23
271 285 HIS H T T 3 TS+ 0 0 -69.7 67.3 179.9 61.3 91.4 111.2 269 -0.8 0 0.0 0 0.0 0 0.0 4 19
272 286 SER S T T 3 TS- 0 0 -174.6 19.3 -178.8 -125.7 98.6 83.1 270 -2.5 0 0.0 0 0.0 0 0.0 4 16
273 287 ASP D t < T - 0 0 59.1 -136.2 179.6 -93.1 38.9 109.9 270 -0.9 0 0.0 0 0.0 0 0.0 6 26
274 288 LEU L - 0 0 -171.3 154.6 -179.7 -79.3 35.4 162.9 0 0.0 0 0.0 0 0.0 0 0.0 7 24
275 289 SER S h > T - 0 0 -58.8 152.2 179.0 -128.3 32.6 99.1 0 0.0 279 -1.9 0 0.0 0 0.0 6 18
276 290 ASP D H H > TS+ 0 0 -67.9 -42.9 179.5 51.5 113.0 24.2 0 0.0 280 -2.1 0 0.0 0 0.0 6 18
277 291 GLU E H H > TS+ 0 0 -66.6 -20.3 178.1 51.3 110.2 46.1 0 0.0 281 -1.7 0 0.0 0 0.0 6 13
278 292 PHE F H H > TS+ 0 0 -82.7 -40.9 178.9 48.0 109.0 32.1 0 0.0 282 -2.1 0 0.0 0 0.0 8 23
279 293 LEU L H H X TS+ 0 0 -66.9 -31.7 179.4 48.8 114.7 34.2 275 -1.9 283 -1.5 0 0.0 0 0.0 9 34
280 294 GLU E H H X TS+ 0 0 -72.2 -50.5 -179.3 48.6 110.5 17.5 276 -2.1 284 -2.4 0 0.0 0 0.0 8 27
281 295 SER S H H X TS+ 0 0 -59.0 -38.7 179.8 44.6 115.5 30.7 277 -1.7 285 -1.4 0 0.0 0 0.0 8 23
282 296 SER S H H X TS+ 0 0 -76.2 -31.5 178.9 54.3 109.9 35.5 278 -2.1 286 -2.1 0 0.0 0 0.0 8 38
283 297 ARG R H H X >TS+ 0 0 -67.5 -38.4 179.3 47.2 111.0 26.9 279 -1.5 288 -0.8 0 0.0 287 -0.6 12 39
284 298 LYS K H H < 5TS+ 0 0 -69.4 -34.7 179.7 53.8 109.5 32.4 280 -2.4 0 0.0 0 0.0 0 0.0 10 38
285 299 SER S H H < 5TS+ 0 0 -64.5 -44.4 -179.5 43.1 112.6 27.2 281 -1.4 0 0.0 0 0.0 0 0.0 6 35
286 300 LEU L H H < 5TS- 0 0 -79.0 -10.1 -179.2 -140.4 100.6 56.4 282 -2.1 0 0.0 0 0.0 0 0.0 7 52
287 301 LYS K T h < 5T + 0 0 58.7 10.7 179.6 145.4 50.8 58.8 283 -0.6 238 -3.0 0 0.0 0 0.0 10 46
288 302 LEU L B B a > T - 0 0 -82.0 144.5 -178.1 -113.9 33.1 130.0 238 -0.6 293 -3.0 0 0.0 292 -0.5 10 40
290 304 GLU E H H > 3 TS+ 0 0 -45.4 -48.5 -179.8 51.9 114.1 32.2 0 0.0 294 -2.8 0 0.0 0 0.0 7 32
291 305 ARG R H H > 3 TS+ 0 0 -58.1 -44.2 180.0 42.2 115.4 25.5 0 0.0 295 -1.0 0 0.0 0 0.0 6 29
292 306 GLN Q H H > < TS+ 0 0 -69.6 -45.1 179.3 53.2 112.7 22.4 289 -0.5 296 -2.5 0 0.0 0 0.0 8 42
293 307 PHE F H H X TS+ 0 0 -54.5 -54.8 -179.8 48.0 109.8 15.5 289 -3.0 297 -2.7 0 0.0 0 0.0 10 43
294 308 ASN N H H X TS+ 0 0 -59.3 -28.4 178.2 52.1 110.6 41.2 290 -2.8 298 -1.7 0 0.0 0 0.0 8 35
295 309 ARG R H H X TS+ 0 0 -73.5 -39.2 -179.9 48.2 110.5 26.4 291 -1.0 299 -2.3 0 0.0 0 0.0 8 33
296 310 LEU L H H X TS+ 0 0 -66.8 -39.0 179.1 52.5 109.3 27.5 292 -2.5 300 -1.9 0 0.0 0 0.0 11 47
297 311 VAL V H H X TS+ 0 0 -61.1 -45.4 179.7 50.4 109.6 19.6 293 -2.7 301 -0.8 0 0.0 0 0.0 9 49
298 312 GLU E H H X > TS+ 0 0 -58.4 -46.6 179.8 47.9 110.9 24.5 294 -1.7 302 -1.6 0 0.0 301 -0.8 8 33
299 313 MET M H H X 3 TS+ 0 0 -66.5 -31.2 179.3 52.0 110.4 38.1 295 -2.3 303 -0.7 0 0.0 0 0.0 8 33
300 314 LEU L H H X 3 TS+ 0 0 -81.2 -11.7 179.6 57.1 106.4 53.3 296 -1.9 304 -0.9 0 0.0 0 0.0 11 37
301 315 LEU L H H < < TS+ 0 0 -86.0 -46.1 179.5 38.2 109.6 24.4 297 -0.8 0 0.0 298 -0.8 0 0.0 10 28
302 316 LEU L H H < > TS+ 0 0 -76.7 -17.2 178.6 68.2 108.9 43.8 298 -1.6 305 -0.9 0 0.0 0 0.0 7 22
303 317 LEU L H H < 3 TS+ 0 0 -61.4 -55.6 178.8 18.0 119.2 14.4 299 -0.7 0 0.0 0 0.0 0 0.0 6 26
304 318 ASN N T h < 3 TS+ 0 0 -114.6 53.1 179.4 159.2 83.6 115.1 300 -0.9 306 -1.4 0 0.0 0 0.0 7 23
305 319 ASN N t < T 0 0 -79.6 89.5 -179.5 999.9 999.9 130.2 302 -0.9 0 0.0 0 0.0 0 0.0 6 19
306 320 SER S 0 0 -79.9 999.9 999.9 999.9 999.9 133.5 304 -1.4 0 0.0 0 0.0 0 0.0 3 17
1bob-.pdb
1BOB ACETYLTRANSFERASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand GGGSEEEHHHHEEEEEESSSEEEE S HHHHTTTTEEESEES EEEEEEETTT EEEEEE SEE TT HHHHHHTTS TT EES HHHHH Kabs/Sand
chirality -+++++--++++--+--+-----+---++++++--+-+--++-+-+--++---++-+---+--+-----+-++---++++++++---++---+++++++ chirality
bends SSSS SSSS SSS S SSSS SS S SS SSS S SS SSSSSSSSS SS S SSSSS bends
turns TTTTT TTTTTT TTTTTTTTTT TTTTT TTTT TTTTTTTTTTTTTT TTTTTT turns
5-turns >5555< 5-turns
3-turns >>3<< >33< >33< >33< >33< >>3<<>33< 3-turns
bridge-2 CCCC EEEEEE ff bridge-2
bridge-1 AAA bbbbbb CCCC AAA DD bbbbbb EEEEEE DD ff bridge-1
sheets AAA BBBBBB BBBB AAA CC BBBBBBB BBBBBB CC BB sheets
4-turns >>44<< >>44<< >444< >>>><<<< >>>>XX 4-turns
summary gGGGeEEEHHHHEEEEEEeSeEEEE S hHHHHhTTeEEEeEES EEEEEEEeTTteEEEEEE SEEe tTTt hHHHHHHhTttTTt EEehHHHHH summary
sequence FKPETWTSSANEALRVSIVGENAVQFSPLFTYPIYGDSEKIYGYKDLIIHLAFDSVTFKPYVNVKYSAKLGDDNIVDVEKKLLSFLPKDDVIVRDEAKWV sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHTTT TTTTSEEEEEEEETTEEEEEEEE S SHHHHHHHHHHTHHHHHHSTT TT TTEEEEEEEETTT EEEEEEEEEE EE Kabs/Sand
chirality ++++++++++-++++--+--+-+--+----+-+--++-+++++++++++++++++-++-----++-+++----+--++-+-+-------+-- ----- chirality
bends SSSSSSSSS SSSSS SSS S SSSSSSSSSSSSSSSSSSSSS SS SS SSS bends
turns TTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTT TTTTTTT TTTTT turns
5-turns 5-turns
3-turns >33< >33< >33< >33<>>3<< >33< >33X33< 3-turns
bridge-2 HHHHHH IIIIIII JJJJJJJJ kk bridge-2
bridge-1 GG*GGGGG GGGGGGG HHHHHH I*IIIIII J bridge-1
sheets DDDDDDDD DDDDDDDD DDDDDDDD DDDDDDDDDD DD sheets
4-turns XXX<444< >>>>XXXX<<>><<<< >444< 4-turns
summary HHHHHHhTTttTTTTtEEEEEEEETTEEEEEEEE S hHHHHHHHHHHhHHHHHHhTTt tTTtTeEEEEEEEEeTTteEEEEEEEEEE EE summary
sequence DCFAEERKTHNLSDVFEKVSEYSLNGEEFVVYKSSLVDDFARRMHRRVQIFSLLFIEAANYIDETDPSWQIYWLLNKKTKELIGFVTTYKYWHYIDKKFR sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand EEEEEEEE GGG SSSHHHHHHHHHHHHHHH TTEEEEEESS HHHHHHHHHHHHHHHHHTTHHHHTT TT HHHHHHHHHHHTB HHHHHHHHHHH Kabs/Sand
chirality --++-+---+++++-++++++++++++++++-++++-+------+++++++++++++++++-+++++++-+----++++++++++-+--+++++++++++ chirality
bends SSS SSSSSSSSSSSSSSSSSS SS SS SSSSSSSSSSSSSSSSSSS SSSS SS SSSSSSSSSSS SSSSSSSSSSS bends
turns TTTTT TTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >>3<< >33< >>3333< >33 3-turns
bridge-2 kkk a bridge-2
bridge-1 JJJ*JJJJ k*kkkk a bridge-1
sheets DDDDDDDD DDDDDD sheets
4-turns >>>>XXXXXXXXX<<<< >>>>XXXXXXXXXXX<<<<>>44<< >>>>XXXXX<<<< >>>>XXXXXXXX 4-turns
summary EEEEEEEEeGGGgSShHHHHHHHHHHHHHHHhTeEEEEEEeS hHHHHHHHHHHHHHHHHHhhHHHHhTtTTt hHHHHHHHHHHHhBhHHHHHHHHHHH summary
sequence AKISQFLIFPPYQNKGHGSCLYEAIIQSWLEDKSITEITVEDPNEAFDDLRDRNDIQRLRKLGYDAVFQKHSDLSDEFLESSRKSLKLEERQFNRLVEML sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand HHHT Kabs/Sand
chirality ++++ chirality
bends SSSS bends
turns TTTTT turns
5-turns 5-turns
3-turns <>33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns <<<< 4-turns
summary HHHht summary
sequence LLLNNS sequence
Messages
chain break between 194( 199 ) and 195( 209 )