Secondary structure calculation program - copyright by David Keith Smith, 1989
1g6oA.pdb
1G6O HYDROLASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 317
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 6 LEU L h > T 0 0 999.9 -23.2 -179.6 999.9 999.9 999.9 0 0.0 5 -2.1 0 0.0 0 0.0 4 8
2 A 7 SER S H H > T + 0 0 -61.4 -45.2 178.9 46.8 999.9 22.5 0 0.0 6 -2.6 0 0.0 0 0.0 5 9
3 A 8 ALA A H H > TS+ 0 0 -59.9 -49.5 179.8 45.4 115.7 16.8 0 0.0 7 -1.8 0 0.0 0 0.0 6 9
4 A 9 GLU E H H > TS+ 0 0 -64.0 -26.3 -179.9 51.7 113.9 38.3 0 0.0 8 -0.7 0 0.0 0 0.0 7 10
5 A 10 ASP D H H X TS+ 0 0 -80.0 -34.4 178.8 55.6 104.1 32.8 1 -2.1 9 -1.5 0 0.0 0 0.0 8 12
6 A 11 LYS K H H X TS+ 0 0 -65.0 -41.4 178.1 49.1 107.3 26.0 2 -2.6 10 -1.4 0 0.0 0 0.0 8 13
7 A 12 LYS K H H < TS+ 0 0 -67.7 -26.0 -180.0 56.8 108.1 38.0 3 -1.8 0 0.0 0 0.0 0 0.0 8 14
8 A 13 PHE F H H < TS+ 0 0 -72.2 -34.2 -177.7 35.4 114.9 30.2 4 -0.7 0 0.0 0 0.0 0 0.0 7 14
9 A 14 LEU L H H X TS+ 0 0 -94.3 -13.1 -178.8 100.0 90.1 55.0 5 -1.5 13 -3.0 0 0.0 0 0.0 8 16
10 A 15 GLU E H H X TS+ 0 0 -39.3 -56.5 -179.0 41.9 85.2 33.4 6 -1.4 14 -2.0 0 0.0 0 0.0 8 16
11 A 16 VAL V H H > TS+ 0 0 -65.2 -43.4 179.7 43.9 117.6 30.9 0 0.0 15 -1.4 0 0.0 0 0.0 8 15
12 A 17 GLU E H H > TS+ 0 0 -72.3 -38.6 179.8 50.1 114.6 27.3 0 0.0 16 -1.7 0 0.0 0 0.0 7 15
13 A 18 ARG R H H X TS+ 0 0 -63.2 -45.8 179.7 52.4 108.7 20.0 9 -3.0 17 -3.0 0 0.0 0 0.0 8 17
14 A 19 ALA A H H X TS+ 0 0 -55.6 -44.2 179.4 51.7 108.2 30.6 10 -2.0 18 -2.0 0 0.0 0 0.0 8 17
15 A 20 LEU L H H X TS+ 0 0 -65.6 -36.8 179.2 46.2 111.4 31.9 11 -1.4 19 -1.1 0 0.0 0 0.0 8 21
16 A 21 LYS K H H X TS+ 0 0 -71.6 -46.6 -179.4 52.0 111.1 19.2 12 -1.7 20 -3.3 0 0.0 0 0.0 8 25
17 A 22 GLU E H H X TS+ 0 0 -58.5 -36.9 179.0 52.1 107.4 28.8 13 -3.0 21 -2.2 0 0.0 0 0.0 8 23
18 A 23 ALA A H H < TS+ 0 0 -66.0 -34.8 -179.4 38.7 118.1 27.9 14 -2.0 0 0.0 0 0.0 0 0.0 8 23
19 A 24 ALA A H H < TS+ 0 0 -84.0 -32.9 -177.2 42.1 121.5 36.9 15 -1.1 0 0.0 0 0.0 0 0.0 10 33
20 A 25 LEU L H H X TS+ 0 0 -90.7 -27.5 -178.1 69.0 98.4 37.0 16 -3.3 24 -1.9 0 0.0 0 0.0 10 35
21 A 26 ASN N H H X TS+ 0 0 -64.1 -34.8 179.9 54.9 94.8 30.5 17 -2.2 25 -1.9 0 0.0 0 0.0 8 29
22 A 27 PRO P H H > TS+ 0 0 -62.7 -37.1 179.6 45.3 113.3 18.3 0 0.0 26 -2.1 0 0.0 0 0.0 9 33
23 A 28 LEU L H H > TS+ 0 0 -71.6 -30.3 178.6 57.5 107.1 39.7 0 0.0 27 -1.8 0 0.0 0 0.0 14 41
24 A 29 ARG R H H X TS+ 0 0 -68.6 -37.2 179.9 44.5 110.6 28.5 20 -1.9 28 -1.5 0 0.0 0 0.0 10 39
25 A 30 HIS H H H X TS+ 0 0 -72.2 -47.6 179.7 47.3 113.9 21.0 21 -1.9 29 -2.4 0 0.0 0 0.0 8 30
26 A 31 ALA A H H X TS+ 0 0 -61.6 -37.2 179.6 52.6 111.9 31.6 22 -2.1 30 -1.9 0 0.0 0 0.0 12 41
27 A 32 THR T H H X TS+ 0 0 -66.1 -42.7 -179.5 43.3 112.1 26.5 23 -1.8 31 -2.2 0 0.0 0 0.0 11 51
28 A 33 GLU E H H X TS+ 0 0 -70.3 -44.4 178.6 56.8 110.7 22.2 24 -1.5 32 -2.0 0 0.0 0 0.0 9 34
29 A 34 GLU E H H < TS+ 0 0 -50.8 -51.9 -178.8 25.2 121.2 24.7 25 -2.4 0 0.0 0 0.0 0 0.0 8 34
30 A 35 LEU L H H < TS+ 0 0 -83.2 -45.3 -175.7 18.8 138.4 27.0 26 -1.9 0 0.0 0 0.0 0 0.0 8 52
31 A 36 PHE F H H X TS+ 0 0 -116.0 10.8 179.9 109.7 82.7 75.6 27 -2.2 35 -2.6 0 0.0 0 0.0 8 55
32 A 37 GLY G H H X TS+ 0 0 -52.2 -48.1 -179.3 49.0 83.4 25.7 28 -2.0 36 -0.7 0 0.0 0 0.0 9 35
33 A 38 ASP D H H 4 TS+ 0 0 -60.2 -39.6 -178.6 44.6 115.4 31.0 0 0.0 0 0.0 0 0.0 0 0.0 6 33
34 A 39 PHE F H H 4 TS+ 0 0 -76.8 -37.7 179.3 55.2 107.6 30.3 0 0.0 0 0.0 0 0.0 0 0.0 7 40
35 A 40 LEU L H H < T 0 0 -70.9 -10.7 179.3 999.9 999.9 50.5 31 -2.6 0 0.0 0 0.0 0 0.0 5 44
36!A 41 LYS K h < T 0 0 -89.3 999.9 999.9 999.9 999.9 49.1 32 -0.7 0 0.0 0 0.0 0 0.0 5 26
37!A 43 GLU E 0 0 999.9 143.1 178.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 26
38 A 44 ASN N e + 0 0 57.2 38.7 177.9 142.9 999.9 33.0 0 0.0 55 -2.4 0 0.0 0 0.0 5 31
39 A 45 ILE I E E AA - 54 0 -105.0 159.7 -176.6 -175.8 31.2 137.4 0 0.0 0 0.0 0 0.0 0 0.0 10 39
40 A 46 THR T E E A* + 0 0 -130.0 -14.7 -177.6 14.2 66.8 58.0 53 -2.8 127 -1.8 0 0.0 0 0.0 12 46
41 A 47 GLU E E E AAB - 53 126 -163.7 147.8 178.4 -156.5 53.0 167.1 53 -0.8 53 -2.9 0 0.0 0 0.0 11 48
42 A 48 ILE I E E AAB - 52 125 -131.4 129.7 -178.6 -175.3 19.5 177.4 125 -2.2 125 -2.7 0 0.0 0 0.0 14 50
43 A 49 CYS C E E AAB - 51 124 -134.2 140.0 176.8 -165.8 18.4 169.7 51 -3.4 51 -3.6 0 0.0 0 0.0 11 47
44 A 50 TYR Y E E AAB - 50 123 -120.1 123.8 -178.7 -168.0 4.0 173.7 123 -3.2 123 -2.1 0 0.0 0 0.0 13 51
45 A 51 ASN N e - 0 0 -96.5 11.8 179.3 -105.2 48.5 76.3 49 -1.0 0 0.0 0 0.0 0 0.0 12 43
46 A 52 GLY G S S S+ 0 0 73.6 25.7 -179.6 100.8 96.9 38.6 0 0.0 0 0.0 0 0.0 0 0.0 10 47
47 A 53 ASN N S S S- 0 0 -137.2 42.1 178.1 -90.3 103.1 97.8 0 0.0 0 0.0 0 0.0 0 0.0 6 34
48 A 54 LYS K S e S+ 0 0 60.7 23.1 178.5 102.7 97.4 47.7 0 0.0 64 -2.3 0 0.0 0 0.0 10 34
49 A 55 VAL V E E A C - 0 63 -136.5 133.7 177.7 -151.6 56.9 178.4 0 0.0 45 -1.0 0 0.0 51 -0.5 12 36
50 A 56 VAL V E E AAC - 44 62 -105.9 128.3 -178.9 -155.2 13.1 155.9 62 -2.7 62 -1.7 0 0.0 52 -0.5 12 44
51 A 57 TRP W E E AAC - 43 61 -106.9 129.3 179.0 -166.9 7.3 153.0 43 -3.6 43 -3.4 49 -0.5 0 0.0 12 40
52 A 58 VAL V E E AAC - 42 60 -114.7 141.5 178.4 -142.6 12.2 155.4 60 -1.7 60 -2.9 50 -0.5 54 -0.6 13 40
53 A 59 LEU L E E AAC - 41 59 -107.3 116.0 179.5 -152.7 15.3 154.7 41 -2.9 40 -2.8 0 0.0 41 -0.8 12 36
54 A 60 LYS K E E AA > T - 39 0 -78.9 157.8 175.3 -115.1 27.8 113.8 58 -2.9 57 -1.5 52 -0.6 0 0.0 12 34
55 A 61 ASN N T e 3 TS+ 0 0 -63.4 -19.9 180.0 70.9 114.4 44.1 38 -2.4 0 0.0 0 0.0 0 0.0 9 36
56 A 62 ASN N T T 3 TS- 0 0 -80.3 12.3 179.0 -108.4 120.4 71.8 0 0.0 0 0.0 0 0.0 0 0.0 4 23
57 A 63 GLY G S t < TS+ 0 0 74.7 9.5 -179.8 129.9 79.0 56.4 54 -1.5 0 0.0 0 0.0 0 0.0 6 26
58 A 64 GLU E e - 0 0 -99.5 138.8 177.7 -140.9 52.1 140.9 0 0.0 54 -2.9 0 0.0 60 -0.6 7 24
59 A 65 TRP W E E AC - 53 0 -98.2 124.1 -179.6 -163.1 15.4 151.1 0 0.0 0 0.0 0 0.0 0 0.0 8 27
60 A 66 GLN Q E E AC - 52 0 -111.6 111.0 -180.0 -148.4 8.4 154.8 52 -2.9 52 -1.7 58 -0.6 0 0.0 8 28
61 A 67 PRO P E E AC - 51 0 -78.5 149.4 178.9 -164.5 9.6 118.1 0 0.0 0 0.0 0 0.0 0 0.0 8 28
62 A 68 PHE F E E AC - 50 0 -134.7 129.6 179.4 -127.6 18.6 176.7 50 -1.7 50 -2.7 0 0.0 64 -0.5 7 32
63 A 69 ASP D E E AC + 49 0 -80.9 124.0 -179.6 169.1 29.2 132.4 0 0.0 0 0.0 0 0.0 0 0.0 7 27
64 A 70 VAL V e > T + 0 0 -123.5 32.9 -178.0 121.7 36.4 95.0 48 -2.3 67 -1.3 62 -0.5 0 0.0 9 32
65 A 71 ARG R T T 3 TS+ 0 0 -66.7 -32.6 -178.9 49.7 75.0 35.9 0 0.0 0 0.0 0 0.0 0 0.0 7 24
66 A 72 ASP D T T 3 TS+ 0 0 -97.0 20.4 -179.4 102.0 89.6 78.8 0 0.0 0 0.0 0 0.0 0 0.0 4 18
67 A 73 ARG R g X T - 0 0 -108.8 134.3 -179.3 -156.8 56.2 150.4 64 -1.3 70 -0.7 0 0.0 0 0.0 7 27
68 A 74 LYS K G G > TS+ 0 0 -79.4 -14.5 179.9 72.6 91.0 50.0 0 0.0 71 -1.2 0 0.0 0 0.0 6 26
69 A 75 ALA A G G 3 TS+ 0 0 -70.8 -22.7 177.9 54.5 94.5 43.4 0 0.0 0 0.0 0 0.0 0 0.0 8 36
70 A 76 PHE F G G < TS+ 0 0 -102.9 36.9 177.9 121.1 82.3 94.3 67 -0.7 0 0.0 0 0.0 0 0.0 11 40
71 A 77 SER S S g > X TS- 0 0 -91.8 145.8 -178.9 -112.6 78.0 133.6 68 -1.2 75 -2.5 0 0.0 74 -0.7 8 33
72 A 78 LEU L T T 4 3 TS+ 0 0 -51.8 -39.0 -178.7 49.4 117.6 28.8 0 0.0 0 0.0 0 0.0 0 0.0 7 38
73 A 79 SER S T T 4 3 TS+ 0 0 -71.4 -32.2 178.3 46.8 112.1 31.9 0 0.0 0 0.0 0 0.0 0 0.0 5 28
74 A 80 ARG R T T 4 < T 0 0 -74.3 -39.0 177.8 999.9 999.9 30.4 71 -0.7 77 -2.3 0 0.0 0 0.0 10 37
75!A 81 LEU L t < T 0 0 -63.8 999.9 999.9 999.9 999.9 27.2 71 -2.5 78 -2.1 0 0.0 0 0.0 10 53
76!A 83 HIS H h > T 0 0 999.9 -55.5 -179.7 999.9 999.9 999.9 0 0.0 80 -2.5 0 0.0 0 0.0 8 42
77 A 84 PHE F H H > T + 0 0 -52.0 -44.4 179.9 48.8 999.9 29.3 74 -2.3 81 -1.3 0 0.0 0 0.0 10 53
78 A 85 ALA A H H > > TS+ 0 0 -62.7 -50.4 179.0 49.3 111.5 18.5 75 -2.1 82 -2.3 0 0.0 81 -0.6 9 59
79 A 86 ARG R H H > 3 TS+ 0 0 -58.2 -36.7 176.9 52.6 109.1 32.8 0 0.0 83 -2.2 0 0.0 0 0.0 9 46
80 A 87 CYS C H H X 3 TS+ 0 0 -67.9 -30.0 -179.7 50.8 109.5 40.1 76 -2.5 84 -1.4 0 0.0 0 0.0 11 43
81 A 88 CYS C H H X < TS+ 0 0 -74.5 -45.3 -179.0 45.0 111.5 21.8 77 -1.3 85 -1.0 78 -0.6 0 0.0 12 55
82 A 89 ALA A H H < >>TS+ 0 0 -62.2 -53.2 179.0 50.0 113.2 15.6 78 -2.3 87 -3.0 0 0.0 85 -1.0 14 44
83 A 90 SER S H H < >5TS+ 0 0 -52.9 -46.3 179.8 62.3 101.8 27.3 79 -2.2 86 -2.8 0 0.0 0 0.0 10 38
84 A 91 PHE F H H < 35TS+ 0 0 -51.4 -36.0 178.9 37.5 112.1 32.7 80 -1.4 0 0.0 0 0.0 0 0.0 10 42
85 A 92 LYS K T h < <5TS- 0 0 -102.3 22.4 -179.7 -106.9 123.7 86.4 82 -1.0 0 0.0 81 -1.0 0 0.0 9 42
86 A 93 LYS K T T <5TS+ 0 0 53.0 48.2 178.3 123.5 80.7 26.1 83 -2.8 0 0.0 0 0.0 0 0.0 6 29
87 A 94 LYS K t T - 0 0 -83.2 -176.2 179.9 -83.8 51.7 102.0 105 -2.4 104 -1.3 0 0.0 0 0.0 12 55
102 A 109 ALA A T T 3 TS+ 0 0 -60.4 -37.1 -179.5 46.1 127.8 33.7 0 0.0 0 0.0 0 0.0 0 0.0 8 47
103 A 110 ASN N T T 3 TS- 0 0 -92.5 12.4 179.4 -93.6 124.8 75.8 0 0.0 0 0.0 0 0.0 0 0.0 5 39
104 A 111 GLY G S t < TS+ 0 0 106.2 -30.0 -179.1 144.4 71.9 88.1 101 -1.3 0 0.0 0 0.0 0 0.0 8 39
105 A 112 GLU E e - 0 0 -50.8 135.7 179.0 -114.8 52.9 100.6 0 0.0 101 -2.4 0 0.0 0 0.0 12 47
106 A 113 ARG R E E AD - 100 0 -75.4 140.5 -178.1 -164.6 32.7 120.1 0 0.0 126 -2.2 0 0.0 0 0.0 11 46
107 A 114 VAL V E E ADE - 99 125 -129.7 144.4 179.7 -163.2 11.3 163.4 99 -2.9 99 -2.2 0 0.0 0 0.0 12 52
108 A 115 GLN Q E E ADE - 98 124 -131.9 117.0 178.9 -177.1 11.6 166.4 124 -1.4 124 -1.5 0 0.0 0 0.0 12 46
109 A 116 ILE I E E ADE - 97 123 -117.9 134.8 178.5 -173.3 3.2 161.2 97 -2.4 97 -2.8 0 0.0 0 0.0 13 54
110 A 117 VAL V E E ADE - 96 122 -127.0 138.5 -179.8 -172.5 7.1 168.0 122 -2.2 122 -2.2 0 0.0 0 0.0 12 45
111 A 118 LEU L e > > T - 0 0 -122.2 176.4 177.4 -44.3 31.6 133.2 95 -2.6 114 -1.4 0 0.0 115 -1.2 13 42
112 A 119 SER S T T 4 3 TS+ 0 0 -71.4 142.3 0.3 36.6 115.5 119.5 0 0.0 0 0.0 0 0.0 0 0.0 12 31
113 A 120 PRO P T T 4 3 TS+ 0 0 -75.2 -4.4 179.9 45.9 125.6 168.3 0 0.0 0 0.0 0 0.0 0 0.0 10 23
114 A 121 VAL V T T 4 < TS+ 0 0 -72.9 -37.0 176.9 65.4 106.1 29.5 111 -1.4 0 0.0 0 0.0 0 0.0 9 26
115 A 122 THR T S t < TS- 0 0 -76.4 168.9 -177.6 -94.9 107.7 110.9 111 -1.2 0 0.0 0 0.0 0 0.0 10 30
116 A 123 VAL V S S S- 0 0 -54.3 -36.8 -179.0 -15.4 90.6 36.8 0 0.0 0 0.0 0 0.0 0 0.0 7 21
117 A 124 ASN N S t > TS- 0 0 -160.3 -179.9 -179.8 -70.8 76.0 162.3 0 0.0 120 -1.6 0 0.0 0 0.0 8 19
118 A 125 ASP D T T 3 TS+ 0 0 -43.8 -44.3 -177.9 41.8 119.6 46.6 0 0.0 0 0.0 0 0.0 0 0.0 6 23
119 A 126 GLU E T T 3 TS+ 0 0 -101.3 16.5 -178.4 100.6 92.4 80.9 0 0.0 121 -0.6 0 0.0 0 0.0 6 30
120 A 127 THR T t < T + 0 0 -113.8 114.0 176.7 173.6 40.1 155.0 117 -1.6 0 0.0 0 0.0 0 0.0 12 35
121 A 128 ILE I - 0 0 -116.1 128.4 -179.1 -152.0 17.6 164.5 119 -0.6 123 -0.5 0 0.0 0 0.0 14 49
122 A 129 SER S E E A E + 0 110 -106.9 128.7 -180.0 171.7 17.9 150.8 110 -2.2 110 -2.2 0 0.0 0 0.0 13 54
123 A 130 ILE I E E ABE + 44 109 -135.4 136.2 176.3 178.5 6.2 177.1 44 -2.1 44 -3.2 121 -0.5 0 0.0 12 59
124 A 131 SER S E E ABE - 43 108 -143.4 120.5 -177.7 -168.0 6.3 159.6 108 -1.5 108 -1.4 0 0.0 0 0.0 11 50
125 A 132 ILE I E E ABE - 42 107 -108.5 134.3 179.3 -147.2 11.5 150.1 42 -2.7 42 -2.2 0 0.0 127 -0.5 11 50
126 A 133 ARG R E E AB - 41 0 -102.9 126.3 -179.9 -140.5 13.8 153.2 106 -2.2 0 0.0 0 0.0 0 0.0 10 49
127 A 134 ILE I e - 0 0 -91.6 118.7 -179.7 -128.9 20.9 140.6 40 -1.8 0 0.0 125 -0.5 0 0.0 10 48
128 A 135 PRO P - 0 0 -58.9 159.4 178.4 -89.1 32.4 90.9 0 0.0 130 -0.8 0 0.0 0 0.0 9 45
129 A 136 SER S + 0 0 -72.2 112.2 -178.1 163.7 56.5 130.2 0 0.0 0 0.0 0 0.0 0 0.0 7 44
130 A 137 LYS K + 0 0 -116.2 7.5 -179.6 73.4 46.4 70.3 128 -0.8 0 0.0 0 0.0 0 0.0 5 39
131 A 138 THR T - 0 0 -124.3 144.9 178.4 -148.5 62.6 160.6 0 0.0 133 -0.6 0 0.0 0 0.0 5 33
132 A 139 THR T - 0 0 -114.8 114.5 176.7 -169.0 11.0 161.8 0 0.0 0 0.0 0 0.0 0 0.0 8 28
133 A 140 TYR Y - 0 0 -98.9 134.1 179.8 -118.1 28.2 150.3 131 -0.6 0 0.0 0 0.0 0 0.0 8 33
134 A 141 PRO P h > > T - 0 0 -69.2 150.6 -179.3 -112.7 24.1 112.0 0 0.0 137 -1.5 0 0.0 138 -1.0 8 33
135 A 142 HIS H H H > > TS+ 0 0 -50.2 -41.1 -180.0 65.8 116.9 25.3 183 -0.6 139 -2.1 0 0.0 138 -0.9 10 38
136 A 143 SER S H H > 3 TS+ 0 0 -48.3 -39.1 -179.5 56.2 97.1 31.0 0 0.0 140 -2.5 0 0.0 0 0.0 6 27
137 A 144 PHE F H H > < TS+ 0 0 -61.8 -42.9 -179.1 51.5 103.8 26.5 134 -1.5 141 -2.3 0 0.0 0 0.0 8 25
138 A 145 PHE F H H < <>TS+ 0 0 -61.4 -44.7 178.6 50.5 110.0 22.9 134 -1.0 143 -2.3 135 -0.9 0 0.0 10 41
139 A 146 GLU E H H < >5TS+ 0 0 -58.6 -47.9 179.3 48.1 110.8 19.9 135 -2.1 142 -1.5 0 0.0 0 0.0 9 35
140 A 147 GLU E H H < 35TS+ 0 0 -61.9 -36.2 179.5 55.3 107.3 31.0 136 -2.5 0 0.0 0 0.0 0 0.0 7 21
141 A 148 GLN Q T h < 35TS- 0 0 -76.7 1.0 178.1 -110.3 121.3 64.4 137 -2.3 0 0.0 0 0.0 0 0.0 6 26
142 A 149 GLY G T T X5T + 0 0 73.1 42.0 -179.1 162.7 57.9 28.7 139 -1.5 145 -0.9 0 0.0 0 0.0 8 29
143 A 150 PHE F T T 3 TS+ 0 0 -102.8 3.8 -177.4 103.3 84.8 67.3 0 0.0 147 -1.6 0 0.0 0 0.0 12 40
145 A 152 ASN N T T < TS+ 0 0 -60.2 -26.4 179.4 63.8 72.0 43.9 142 -0.9 0 0.0 0 0.0 0 0.0 9 29
146 A 153 LEU L T T 3 TS+ 0 0 -81.1 11.3 -178.9 96.2 90.3 71.2 0 0.0 0 0.0 0 0.0 0 0.0 9 29
147 A 154 LEU L t < T - 0 0 -104.4 150.4 179.8 -147.8 67.7 137.4 144 -1.6 0 0.0 0 0.0 0 0.0 10 31
148 A 155 ASP D S S S+ 0 0 -82.2 -30.4 179.0 42.0 102.5 36.1 0 0.0 0 0.0 0 0.0 0 0.0 5 21
149 A 156 ASN N S h > TS+ 0 0 -114.1 63.5 -179.0 154.3 71.4 125.4 0 0.0 153 -2.4 0 0.0 0 0.0 6 23
150 A 157 LYS K H H > TS+ 0 0 -58.2 -53.5 179.5 42.6 76.0 19.5 0 0.0 154 -2.4 0 0.0 0 0.0 10 28
151 A 158 GLU E H H > TS+ 0 0 -68.5 -17.7 178.6 52.8 114.8 46.0 0 0.0 155 -0.6 0 0.0 0 0.0 6 26
152 A 159 GLN Q H H > TS+ 0 0 -82.9 -37.3 178.7 47.3 109.9 33.0 0 0.0 156 -1.5 0 0.0 0 0.0 7 27
153 A 160 ALA A H H X TS+ 0 0 -66.7 -49.2 -179.2 52.4 110.1 19.3 149 -2.4 157 -2.5 0 0.0 0 0.0 10 39
154 A 161 ILE I H H X TS+ 0 0 -61.0 -25.7 179.0 44.6 113.3 39.3 150 -2.4 158 -1.2 0 0.0 0 0.0 9 44
155 A 162 SER S H H X TS+ 0 0 -89.6 -26.3 179.3 52.8 110.7 41.1 151 -0.6 159 -2.0 0 0.0 0 0.0 9 33
156 A 163 ALA A H H X TS+ 0 0 -73.8 -44.3 179.7 46.3 111.5 24.8 152 -1.5 160 -2.4 0 0.0 0 0.0 9 39
157 A 164 ILE I H H X TS+ 0 0 -61.7 -57.1 -178.7 41.1 118.0 10.3 153 -2.5 161 -2.6 0 0.0 0 0.0 9 50
158 A 165 LYS K H H X TS+ 0 0 -57.4 -50.7 -179.7 33.4 126.3 25.0 154 -1.2 162 -0.9 0 0.0 0 0.0 10 41
159 A 166 ASP D H H X TS+ 0 0 -77.3 -35.6 178.9 56.7 116.5 33.6 155 -2.0 163 -1.4 0 0.0 0 0.0 9 25
160 A 167 GLY G H H X >TS+ 0 0 -61.2 -49.1 -179.8 42.9 110.0 18.4 156 -2.4 164 -0.9 0 0.0 165 -0.8 10 38
161 A 168 ILE I H H < 5TS+ 0 0 -68.5 -27.2 178.4 61.0 107.2 39.3 157 -2.6 0 0.0 0 0.0 0 0.0 15 47
162 A 169 ALA A H H < 5TS+ 0 0 -65.2 -37.1 179.8 44.9 108.7 27.7 158 -0.9 0 0.0 0 0.0 0 0.0 10 35
163 A 170 ILE I H H < 5TS- 0 0 -80.7 -19.1 177.8 -107.5 121.4 51.8 159 -1.4 0 0.0 0 0.0 0 0.0 7 31
164 A 171 GLY G T h < 5T + 0 0 90.9 57.4 179.5 168.1 52.8 20.3 160 -0.9 258 -1.1 0 0.0 0 0.0 11 44
165 A 172 LYS K t TS- 0 0 -80.7 170.3 179.8 -66.9 73.9 103.1 305 -0.7 175 -1.5 0 0.0 0 0.0 11 39
173 A 180 THR T T T 3 TS+ 0 0 -56.8 139.7 176.3 12.4 118.4 104.2 0 0.0 0 0.0 0 0.0 0 0.0 6 41
174 A 181 GLY G T T 3 TS+ 0 0 69.0 15.3 179.2 121.5 88.2 51.5 0 0.0 0 0.0 0 0.0 0 0.0 7 48
175 A 182 SER S S t < TS- 0 0 -82.2 -19.2 -180.0 -98.5 86.9 50.2 172 -1.5 0 0.0 0 0.0 0 0.0 11 47
176 A 183 GLY G S h > TS+ 0 0 113.1 11.2 179.8 135.6 76.4 55.2 0 0.0 180 -2.1 0 0.0 0 0.0 9 61
177 A 184 LYS K H H > TS+ 0 0 -54.9 -51.3 -179.9 42.6 80.6 22.7 0 0.0 181 -2.8 0 0.0 0 0.0 12 59
178 A 185 THR T H H > TS+ 0 0 -64.3 -41.4 179.2 51.3 114.6 25.0 0 0.0 182 -1.9 0 0.0 0 0.0 9 60
179 A 186 THR T H H > TS+ 0 0 -64.2 -32.9 -179.8 48.3 112.2 34.5 0 0.0 183 -1.3 0 0.0 0 0.0 11 59
180 A 187 TYR Y H H X TS+ 0 0 -74.3 -53.8 179.5 50.1 108.0 17.9 176 -2.1 184 -1.7 0 0.0 0 0.0 10 63
181 A 188 ILE I H H < TS+ 0 0 -54.8 -36.5 178.0 56.2 109.5 28.0 177 -2.8 0 0.0 0 0.0 0 0.0 11 70
182 A 189 LYS K H H < TS+ 0 0 -59.6 -44.9 -179.2 48.1 106.3 24.0 178 -1.9 0 0.0 0 0.0 0 0.0 9 54
183 A 190 SER S H H < T 0 0 -66.9 -31.8 -177.2 999.9 999.9 33.5 179 -1.3 135 -0.6 0 0.0 0 0.0 10 47
184!A 191 ILE I h < T 0 0 -80.9 999.9 999.9 999.9 999.9 52.5 180 -1.7 186 -1.9 0 0.0 0 0.0 12 58
185!A 193 GLU E 0 0 999.9 -37.1 -177.5 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 7 43
186 A 194 PHE F + 0 0 -87.2 9.9 175.6 101.7 999.9 74.9 184 -1.9 0 0.0 0 0.0 0 0.0 8 40
187 A 195 ILE I S S S- 0 0 -89.4 131.8 -179.8 -102.9 90.5 144.2 0 0.0 0 0.0 0 0.0 0 0.0 9 47
188 A 196 PRO P t > T - 0 0 -56.8 138.2 -178.0 -125.6 25.5 109.6 0 0.0 191 -1.9 0 0.0 0 0.0 7 33
189 A 197 LYS K T T 3 TS+ 0 0 -64.8 -8.3 179.6 64.9 105.6 55.3 0 0.0 208 -0.6 0 0.0 0 0.0 7 27
190 A 198 GLU E T T 3 TS+ 0 0 -91.2 -4.5 179.9 111.4 78.3 61.3 0 0.0 0 0.0 0 0.0 0 0.0 6 28
191 A 199 GLU E t < T - 0 0 -72.9 139.7 177.8 -129.8 69.0 117.0 188 -1.9 193 -0.6 0 0.0 0 0.0 11 34
192 A 200 ARG R e - 0 0 -88.8 126.0 -178.4 -159.8 31.7 145.1 0 0.0 233 -2.9 0 0.0 234 -2.2 11 37
193 A 201 ILE I E E Bhi - 234 210 -115.2 137.9 177.5 -174.1 16.3 155.3 209 -1.9 211 -1.6 191 -0.6 0 0.0 13 50
194 A 202 ILE I E E Bhi - 235 211 -131.2 117.5 179.9 -164.2 9.7 167.7 234 -1.8 236 -1.9 0 0.0 0 0.0 14 53
195 A 203 SER S E E Bhi - 236 212 -102.5 151.1 178.3 -155.8 10.5 136.9 211 -1.4 213 -1.9 0 0.0 0 0.0 12 54
196 A 204 ILE I E E Bhi + 237 213 -124.5 107.2 -179.3 161.2 30.2 163.3 236 -2.3 238 -2.4 0 0.0 0 0.0 15 54
197 A 205 GLU E E E B i - 0 214 -128.9 166.2 -179.3 -153.1 44.0 148.9 213 -2.8 215 -1.8 0 0.0 0 0.0 13 53
198 A 206 ASP D S S S+ 0 0 -100.4 -35.6 -179.4 20.1 97.0 41.8 0 0.0 0 0.0 0 0.0 0 0.0 8 50
199 A 207 THR T S S S- 0 0 -137.3 129.9 179.3 -102.2 96.0 178.3 0 0.0 0 0.0 0 0.0 0 0.0 8 43
200 A 208 GLU E + 0 0 -56.3 118.6 179.9 130.3 67.6 111.6 0 0.0 0 0.0 0 0.0 0 0.0 8 38
201 A 209 GLU E + 0 0 -138.1 -39.0 -179.5 89.4 42.3 62.5 0 0.0 0 0.0 0 0.0 0 0.0 8 44
202 A 210 ILE I - 0 0 -73.6 131.1 179.1 -165.7 56.0 121.8 0 0.0 0 0.0 0 0.0 0 0.0 6 48
203 A 211 VAL V - 0 0 -113.6 154.7 179.6 -139.6 14.1 143.8 0 0.0 205 -0.6 0 0.0 0 0.0 6 42
204 A 212 PHE F + 0 0 -120.1 100.1 -179.2 148.6 38.4 152.7 0 0.0 0 0.0 0 0.0 0 0.0 6 43
205 A 213 LYS K S S S+ 0 0 -107.3 -6.2 -179.0 37.5 78.3 62.4 203 -0.6 0 0.0 0 0.0 0 0.0 4 32
206 A 214 HIS H S S S+ 0 0 -126.3 7.3 -178.2 67.6 108.9 73.2 0 0.0 0 0.0 0 0.0 0 0.0 6 29
207 A 215 HIS H + 0 0 -137.6 138.3 -179.3 177.5 40.8 173.7 0 0.0 0 0.0 0 0.0 0 0.0 11 30
208 A 216 LYS K S S S+ 0 0 -107.8 -20.9 -179.4 69.8 73.8 53.1 189 -0.6 210 -0.9 0 0.0 0 0.0 6 23
209 A 217 ASN N S e S+ 0 0 -105.3 94.4 179.9 109.2 74.5 143.7 0 0.0 193 -1.9 0 0.0 0 0.0 8 25
210 A 218 TYR Y E E Bi - 193 0 -154.8 170.4 177.3 -151.6 45.8 162.7 208 -0.9 0 0.0 0 0.0 0 0.0 8 34
211 A 219 THR T E E Bi - 194 0 -149.3 133.7 177.8 -140.7 16.5 164.7 193 -1.6 195 -1.4 0 0.0 0 0.0 7 37
212 A 220 GLN Q E E Bi - 195 0 -97.8 138.7 179.6 -163.1 14.1 142.1 0 0.0 0 0.0 0 0.0 0 0.0 8 40
213 A 221 LEU L E E Bi - 196 0 -123.0 135.1 -179.0 -168.8 5.9 169.0 195 -1.9 197 -2.8 0 0.0 0 0.0 9 41
214 A 222 PHE F E E Bi - 197 0 -128.0 142.6 -179.3 -157.7 3.2 164.2 0 0.0 0 0.0 0 0.0 0 0.0 11 40
215 A 223 PHE F e + 0 0 -116.1 165.2 -179.4 122.4 27.3 137.1 197 -1.8 0 0.0 0 0.0 0 0.0 11 40
216 A 224 GLY G B B A > T + 219 0 155.6 154.5 -179.1 14.3 58.0 136.0 219 -2.6 219 -2.0 0 0.0 0 0.0 8 36
217 A 225 GLY G T T 3 TS- 0 0 63.0 -121.2 179.9 -6.1 132.6 116.4 0 0.0 0 0.0 0 0.0 0 0.0 6 28
218 A 226 ASN N T T 3 TS+ 0 0 -81.5 -13.3 179.9 84.0 120.4 53.9 0 0.0 220 -0.7 0 0.0 0 0.0 4 15
219 A 227 ILE I B B A < TS- 216 0 -95.9 110.7 -177.8 -157.4 70.5 147.1 216 -2.0 216 -2.6 0 0.0 0 0.0 8 22
220 A 228 THR T h > T - 0 0 -83.7 171.9 179.6 -109.1 29.4 106.1 218 -0.7 224 -1.4 0 0.0 0 0.0 9 32
221 A 229 SER S H H > TS+ 0 0 -66.8 -35.6 -179.3 56.9 120.4 31.0 0 0.0 225 -2.1 0 0.0 0 0.0 11 43
222 A 230 ALA A H H > TS+ 0 0 -63.8 -37.7 -179.8 57.4 100.9 29.5 0 0.0 226 -2.6 0 0.0 0 0.0 9 43
223 A 231 ASP D H H > TS+ 0 0 -58.6 -50.2 178.8 45.5 108.7 20.8 0 0.0 227 -1.9 0 0.0 0 0.0 8 35
224 A 232 CYS C H H X TS+ 0 0 -59.3 -48.0 179.9 50.2 112.0 26.0 220 -1.4 228 -3.3 0 0.0 0 0.0 13 42
225 A 233 LEU L H H X TS+ 0 0 -58.0 -45.1 178.9 48.8 112.1 22.5 221 -2.1 229 -1.5 0 0.0 0 0.0 11 49
226 A 234 LYS K H H < TS+ 0 0 -62.4 -37.8 178.5 45.5 114.0 32.6 222 -2.6 0 0.0 0 0.0 0 0.0 8 36
227 A 235 SER S H H < > TS+ 0 0 -72.1 -40.3 -179.8 61.4 106.6 27.3 223 -1.9 230 -2.0 0 0.0 0 0.0 7 30
228 A 236 CYS C H H < 3 TS+ 0 0 -55.0 -35.3 -179.0 58.8 96.1 33.0 224 -3.3 0 0.0 0 0.0 0 0.0 9 40
229 A 237 LEU L T h < 3 T 0 0 -73.7 -7.8 179.7 999.9 999.9 52.8 225 -1.5 0 0.0 0 0.0 0 0.0 7 39
230!A 238 ARG R t < T 0 0 -105.9 999.9 999.9 999.9 999.9 75.4 227 -2.0 0 0.0 0 0.0 0 0.0 5 26
231!A 240 ARG R 0 0 999.9 63.5 -179.4 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 6 29
232 A 241 PRO P - 0 0 -82.9 156.5 175.9 -160.0 999.9 113.6 0 0.0 0 0.0 0 0.0 0 0.0 10 40
233 A 242 ASP D S S S+ 0 0 -95.5 -42.9 177.4 16.2 86.5 36.7 192 -2.9 0 0.0 0 0.0 0 0.0 10 42
234 A 243 ARG R E E Bh - 193 0 -127.9 150.2 178.1 -151.7 68.9 161.1 192 -2.2 194 -1.8 0 0.0 0 0.0 13 56
235 A 244 ILE I E E Bhj - 194 259 -124.3 119.7 177.4 -165.2 4.7 167.8 258 -1.3 260 -2.0 0 0.0 237 -0.7 12 65
236 A 245 ILE I E E Bhj - 195 260 -106.8 104.4 179.4 -164.7 6.2 152.8 194 -1.9 196 -2.3 0 0.0 238 -0.9 11 70
237 A 246 LEU L E E Bhj - 196 261 -90.4 104.9 -179.6 -143.3 15.6 142.1 260 -2.2 262 -1.0 235 -0.7 0 0.0 12 66
238 A 247 GLY G S e S- 0 0 -31.9 -55.2 -179.6 -25.7 72.4 37.9 196 -2.4 0 0.0 236 -0.9 0 0.0 11 60
239 A 248 GLU E - 0 0 -170.8 134.1 179.8 -122.0 59.2 150.2 0 0.0 0 0.0 0 0.0 0 0.0 8 61
240 A 249 LEU L + 0 0 -78.7 143.7 179.1 149.7 39.2 120.6 262 -2.5 0 0.0 0 0.0 0 0.0 10 60
241 A 250 ARG R - 0 0 -137.0 -58.9 -175.8 -34.6 55.0 51.5 0 0.0 0 0.0 0 0.0 0 0.0 7 45
242 A 251 SER S S t > TS+ 0 0 -137.9 -112.9 -179.4 8.3 114.1 85.0 0 0.0 245 -2.5 0 0.0 0 0.0 8 37
243 A 252 SER S T h > 3 TS+ 0 0 -57.2 -22.5 179.3 71.2 116.1 44.2 0 0.0 247 -1.1 0 0.0 0 0.0 11 36
244 A 253 GLU E H H > 3 TS+ 0 0 -64.0 -24.6 -179.1 75.5 83.8 37.6 0 0.0 248 -2.7 0 0.0 0 0.0 12 49
245 A 254 ALA A H H > < TS+ 0 0 -50.1 -57.7 -179.2 43.5 96.0 18.4 242 -2.5 249 -2.0 0 0.0 0 0.0 12 56
246 A 255 TYR Y H H > TS+ 0 0 -58.8 -42.3 179.7 50.7 112.5 30.0 0 0.0 250 -1.8 0 0.0 0 0.0 11 50
247 A 256 ASP D H H X TS+ 0 0 -63.7 -35.0 178.3 54.3 108.8 29.2 243 -1.1 251 -1.2 0 0.0 0 0.0 10 49
248 A 257 PHE F H H X TS+ 0 0 -61.6 -44.0 179.9 58.1 103.1 22.9 244 -2.7 252 -1.3 0 0.0 0 0.0 9 64
249 A 258 TYR Y H H X > TS+ 0 0 -51.3 -55.7 179.5 48.3 104.6 22.9 245 -2.0 253 -2.2 0 0.0 252 -0.9 10 62
250 A 259 ASN N H H X 3 TS+ 0 0 -58.8 -31.2 -178.9 61.1 104.5 35.7 246 -1.8 254 -1.1 0 0.0 0 0.0 8 43
251 A 260 VAL V H H < 3>TS+ 0 0 -67.6 -28.8 178.5 42.0 109.2 33.8 247 -1.2 256 -1.1 0 0.0 0 0.0 9 50
252 A 261 LEU L H H < X5TS+ 0 0 -81.9 -36.7 179.1 58.0 111.0 30.2 248 -1.3 255 -1.1 249 -0.9 0 0.0 9 47
253 A 262 CYS C H H < 35TS+ 0 0 -65.8 -20.8 179.2 63.2 93.9 52.1 249 -2.2 0 0.0 0 0.0 0 0.0 8 31
254 A 263 SER S T h < 35TS- 0 0 -89.3 16.9 178.2 -111.3 121.1 80.9 250 -1.1 0 0.0 0 0.0 0 0.0 6 28
255 A 264 GLY G T T <5T - 0 0 60.4 32.3 -178.6 -179.9 55.6 40.7 252 -1.1 0 0.0 0 0.0 0 0.0 6 28
256 A 265 HIS H t TS- 0 0 -168.4 171.4 178.8 -78.8 77.7 169.6 0 0.0 271 -1.9 0 0.0 0 0.0 10 36
268 A 277 SER S H H > > TS+ 0 0 -44.0 -64.0 -178.5 40.5 127.0 21.7 0 0.0 272 -1.9 0 0.0 271 -0.9 12 42
269 A 278 GLU E H H > 3 TS+ 0 0 -60.9 -32.6 177.4 56.2 111.0 38.4 0 0.0 273 -1.4 0 0.0 0 0.0 6 38
270 A 279 GLU E H H > 3 TS+ 0 0 -68.7 -25.2 179.4 53.2 107.9 37.1 0 0.0 274 -1.8 0 0.0 0 0.0 9 37
271 A 280 ALA A H H X < TS+ 0 0 -71.0 -56.8 179.2 48.6 105.6 15.6 267 -1.9 275 -3.0 268 -0.9 0 0.0 13 52
272 A 281 PHE F H H X TS+ 0 0 -53.3 -32.3 179.8 45.4 117.4 34.9 268 -1.9 276 -0.8 0 0.0 0 0.0 11 50
273 A 282 ILE I H H X TS+ 0 0 -79.8 -36.0 178.9 49.6 112.2 34.3 269 -1.4 277 -1.7 0 0.0 0 0.0 9 39
274 A 283 ARG R H H < TS+ 0 0 -71.4 -32.7 179.3 56.1 106.8 34.6 270 -1.8 0 0.0 0 0.0 0 0.0 8 47
275 A 284 LEU L H H < TS+ 0 0 -67.3 -34.3 178.9 47.8 108.5 33.8 271 -3.0 0 0.0 0 0.0 0 0.0 10 57
276 A 285 ALA A H H < T 0 0 -73.1 -42.0 179.3 999.9 999.9 26.7 272 -0.8 279 -1.1 0 0.0 0 0.0 11 47
277!A 286 ASN N h < T 0 0 -57.3 999.9 999.9 999.9 999.9 8.6 273 -1.7 279 -2.2 0 0.0 280 -0.8 8 41
278!A 288 SER S t > T 0 0 999.9 -27.7 179.6 999.9 999.9 999.9 0 0.0 281 -0.7 0 0.0 0 0.0 14 44
279 A 289 SER S T T 3 T + 0 0 -80.2 -19.2 179.7 72.0 999.9 47.0 277 -2.2 0 0.0 276 -1.1 0 0.0 11 35
280 A 290 SER S T T 3 TS+ 0 0 -71.1 -10.6 -179.8 85.2 84.5 53.1 277 -0.8 282 -0.6 0 0.0 0 0.0 8 28
281 A 291 ASN N S g X TS- 0 0 -101.1 122.2 -178.8 -129.9 83.3 149.5 278 -0.7 284 -0.8 0 0.0 0 0.0 12 31
282 A 292 SER S G G > TS+ 0 0 -29.3 -65.0 -178.6 63.7 99.8 40.9 280 -0.6 285 -2.8 0 0.0 284 -2.1 6 24
283 A 293 ALA A G G 3 TS+ 0 0 -60.4 28.7 179.8 62.8 97.5 81.3 0 0.0 0 0.0 0 0.0 0 0.0 5 25
284 A 294 ALA A G G X T + 0 0 -128.0 -10.8 -179.7 101.0 68.1 63.4 282 -2.1 287 -2.7 281 -0.8 0 0.0 10 29
285 A 295 ARG R T g < TS+ 0 0 -42.1 -53.8 -179.4 47.3 84.9 29.8 282 -2.8 0 0.0 0 0.0 0 0.0 7 20
286 A 296 ASN N T T 3 TS+ 0 0 -78.1 13.8 178.8 96.0 96.4 76.1 0 0.0 0 0.0 0 0.0 0 0.0 5 17
287 A 297 ILE I S t < TS- 0 0 -111.5 134.3 -178.9 -122.5 75.0 155.1 284 -2.7 0 0.0 0 0.0 0 0.0 7 26
288 A 298 LYS K h > T - 0 0 -73.2 141.6 180.0 -130.0 13.3 116.2 0 0.0 292 -1.9 0 0.0 0 0.0 6 24
289 A 299 PHE F H H > TS+ 0 0 -56.3 -45.5 179.7 48.3 114.4 23.7 0 0.0 293 -2.5 0 0.0 0 0.0 9 30
290 A 300 GLU E H H > TS+ 0 0 -66.1 -27.0 180.0 57.1 107.9 36.1 0 0.0 294 -1.7 0 0.0 0 0.0 6 26
291 A 301 SER S H H > TS+ 0 0 -70.5 -35.5 179.8 43.6 110.1 30.7 0 0.0 295 -0.7 0 0.0 0 0.0 8 28
292 A 302 LEU L H H X TS+ 0 0 -75.6 -45.5 -179.1 49.2 113.4 24.5 288 -1.9 296 -2.0 0 0.0 0 0.0 11 41
293 A 303 ILE I H H X TS+ 0 0 -64.3 -37.4 179.1 50.1 111.4 30.8 289 -2.5 297 -1.8 0 0.0 0 0.0 12 33
294 A 304 GLU E H H < TS+ 0 0 -72.7 -23.9 178.0 55.9 108.0 41.7 290 -1.7 0 0.0 0 0.0 0 0.0 8 32
295 A 305 GLY G H H X > TS+ 0 0 -70.1 -58.1 -178.2 43.3 108.2 9.4 291 -0.7 298 -2.0 0 0.0 299 -1.8 8 38
296 A 306 PHE F H H X > TS+ 0 0 -53.4 -48.3 177.9 58.4 109.6 23.9 292 -2.0 300 -3.5 0 0.0 299 -0.6 12 51
297 A 307 LYS K H H < 3 TS+ 0 0 -54.2 -20.2 -179.1 43.9 110.6 48.8 293 -1.8 0 0.0 0 0.0 0 0.0 8 38
298 A 308 ASP D H H 4 < TS+ 0 0 -98.2 -25.7 -180.0 39.9 120.1 44.2 295 -2.0 0 0.0 0 0.0 0 0.0 7 34
299 A 309 LEU L H H < < TS+ 0 0 -96.2 -26.4 179.4 86.2 94.0 41.8 295 -1.8 301 -0.7 296 -0.6 0 0.0 9 43
300 A 310 ILE I h < T 0 0 -82.9 117.0 -178.9 999.9 999.9 133.0 296 -3.5 0 0.0 0 0.0 0 0.0 11 54
301!A 311 ASP D 0 0 -78.1 999.9 999.9 999.9 999.9 45.8 166 -1.1 317 -1.8 299 -0.7 0 0.0 9 44
302!A 313 ILE I e 0 0 999.9 141.5 -180.0 999.9 999.9 999.9 0 0.0 315 -1.1 0 0.0 0 0.0 12 58
303 A 314 VAL V E E BgK - 169 314 -122.6 117.0 180.0 -164.2 999.9 171.1 168 -2.2 170 -2.9 0 0.0 0 0.0 12 65
304 A 315 HIS H E E BgK - 170 313 -107.6 144.0 -179.8 -158.8 1.2 148.0 313 -2.3 312 -1.2 0 0.0 313 -0.6 14 52
305 A 316 ILE I E E BgK - 171 311 -125.2 132.1 -178.9 -146.9 5.6 167.3 170 -1.7 172 -0.7 0 0.0 0 0.0 17 48
306 A 317 ASN N e > T - 0 0 -83.7 -175.1 -178.2 -86.3 40.9 97.6 310 -2.1 309 -1.4 0 0.0 0 0.0 11 40
307 A 318 HIS H T T 3 TS+ 0 0 -74.2 -3.1 178.1 60.5 124.3 62.2 0 0.0 0 0.0 0 0.0 0 0.0 7 32
308 A 319 HIS H T T 3 TS- 0 0 -107.1 14.9 179.5 -107.1 118.0 80.2 0 0.0 0 0.0 0 0.0 0 0.0 6 32
309 A 320 LYS K S t < TS+ 0 0 61.0 46.9 179.2 123.2 78.8 27.5 306 -1.4 0 0.0 0 0.0 0 0.0 9 44
310 A 321 GLN Q e - 0 0 -137.9 143.7 179.4 -111.0 66.5 173.0 0 0.0 306 -2.1 0 0.0 0 0.0 12 46
311 A 322 CYS C E E BK + 305 0 -74.4 125.6 179.9 168.3 35.4 125.5 143 -2.1 0 0.0 0 0.0 0 0.0 14 51
312 A 323 ASP D E E B* + 0 0 -122.9 15.1 178.1 32.9 68.1 80.0 304 -1.2 0 0.0 0 0.0 0 0.0 10 40
313 A 324 GLU E E E BK - 304 0 -172.8 119.8 -179.3 -176.0 53.5 135.6 304 -0.6 304 -2.3 0 0.0 0 0.0 10 44
314 A 325 PHE F E E BK - 303 0 -122.2 78.3 179.6 -166.2 17.3 137.6 0 0.0 0 0.0 0 0.0 0 0.0 10 47
315 A 326 TYR Y e - 0 0 -67.2 135.9 178.0 -179.0 8.4 115.7 302 -1.1 0 0.0 0 0.0 0 0.0 7 44
316 A 327 ILE I 0 0 -137.1 141.9 180.0 999.9 999.9 172.9 0 0.0 0 0.0 0 0.0 0 0.0 5 42
317 A 328 LYS K 0 0 -104.1 999.9 999.9 999.9 999.9 132.4 301 -1.8 0 0.0 0 0.0 0 0.0 4 28
1g6oA.pdb
1G6O HYDROLASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH EEEEEE SSSEEEEEETTS EEEEE TT GGGSTTT HHHHHHHHTT SSS EEEEE Kabs/Sand
chirality +++++++++++++++++++++++++++++++++ +-+-----+-+------+-+-----++++-+++-++ ++++++++-+--+-+-+++--+-- chirality
bends SSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSS SSS SSS SS SSSSSS SSSSSSSSS SSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33X>333<>>3<< 3-turns
bridge-2 BBBB CCCCC bridge-2
bridge-1 A*AAAA AAAAA CCCCC DDDDD bridge-1
sheets AAAAAA AAAAAA AAAAA AAAAA sheets
4-turns >>>>XX<>XXXXX<>XXXXX<444<>>>>XX<<<< 4-turns
summary hHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHh eEEEEEEeSSeEEEEEEeTteEEEEEeTTgGGGgTTTthHHHHHHHHhTt SSS eEEEEE summary
sequence LSAEDKKFLEVERALKEAALNPLRHATEELFGDFLKENITEICYNGNKVVWVLKNNGEWQPFDVRDRKAFSLSRLHFARCCASFKKKTIDNYENPILSSN sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand TTS EEEEE TTTSSSTT EEEEE HHHHHHTTTTTT SSHHHHHHHHHHHHHHT EEEEESTTSSHHHHHHH S TT EEEEESS Kabs/Sand
chirality -+-+-------+++---+++-++-----++----++++++-+++++-+++++++++++++++-+----++--++-+++++++ +--++-----+-+-+ chirality
bends SSS SSSSSSSS SSSSSSS SSSS SSSSSSSSSSSSSSSS SSSSSSSSSSS S SS SS bends
turns TTTT TTTTT TTTT TTTTTTTTTTTTTT TTTTTTTTTTTTTTTTT TTTTTTTTTTTTT TTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >33< >33< >>3<<>33X3><3< >33< >33< 3-turns
bridge-2 EEEE EEEE ggg iiiii bridge-2
bridge-1 DDDDD BBBB fffff hhhh bridge-1
sheets AAAAA AAAAA BBBBB BBBBB sheets
4-turns >444< >>>><<<< >>>>XXXXXXXX<<<< >>>>X<<<< 4-turns
summary eTTteEEEEEeTTTtStTTt EEEEEe hHHHHHHhTTTTTtShHHHHHHHHHHHHHHht EEEEEeTTthHHHHHHHh StTTteEEEEESS summary
sequence LANGERVQIVLSPVTVNDETISISIRIPSKTTYPHSFFEEQGFYNLLDNKEQAISAIKDGIAIGKNVIVCGGTGSGKTTYIKSIEFIPKEERIISIEDTE sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand SS SSEEEEE BTTB HHHHHHHHT SEEEES STHHHHHHHHHHTT S EEEEEE SSHHHHHHHHH TTSGGGTTS HHHHHHHHHHH Kabs/Sand
chirality +--++++++-----++-+--++++++++ -+------+-++++++++++++------+-+-+---++++++++ ++-+++++--+++++++++++ chirality
bends SS SS SSS SSSSSSSS S S SSSSSSSSSSSSS S SSSSSSSSSS SSSS SSS SSSSSSSSSSS bends
turns TTTTTTTTTTTTTTT TTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33< >33X33< >33< >33X>3X<3< >>3<< 3-turns
bridge-2 jjj jjj bridge-2
bridge-1 iiiii A A hhhh fffff bridge-1
sheets BBBBB BBBB BBBBBB sheets
4-turns >>>>XX<<<< >>>>XXXX<<<< >>>>XXX<<<< >>>>XX33< 3-turns
bridge-2 KKK bridge-2
bridge-1 ggg K*KK bridge-1
sheets BBB BBBB sheets
4-turns 4-turns
summary eEEEeTTteEEEEe summary
sequence DIVHINHHKQCDEFYIK sequence
310
Messages
chain break between 36(A 41 ) and 37(A 43 )
chain break between 75(A 81 ) and 76(A 83 )
chain break between 184(A 191 ) and 185(A 193 )
chain break between 230(A 238 ) and 231(A 240 )
chain break between 277(A 286 ) and 278(A 288 )
chain break between 301(A 311 ) and 302(A 313 )