Secondary structure calculation program - copyright by David Keith Smith, 1989
1d8vA.pdb
1D8V ANTITUMOR PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 263
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 ASP D 0 0 999.9 142.5 180.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 8 38
2 A 2 VAL V E E Aa - 50 0 -129.8 154.2 -179.5 -150.8 999.9 158.7 49 -1.5 51 -2.1 0 0.0 0 0.0 10 44
3 A 3 ASN N E E Aa - 51 0 -129.6 139.0 179.8 -177.8 10.6 168.2 0 0.0 0 0.0 0 0.0 0 0.0 8 46
4 A 4 PHE F E E Aa - 52 0 -135.7 122.4 -179.6 -154.5 12.7 167.0 51 -2.4 53 -1.7 0 0.0 6 -0.7 11 55
5 A 5 ASP D E E Aa - 53 0 -100.0 117.5 179.8 -168.7 4.9 147.3 0 0.0 0 0.0 0 0.0 0 0.0 11 48
6 A 6 LEU L S e > TS+ 0 0 -69.9 -38.6 -179.8 61.2 87.8 26.0 53 -1.9 9 -1.7 4 -0.7 0 0.0 13 52
7 A 7 SER S T T 3 TS+ 0 0 -56.6 -36.5 179.7 27.8 119.8 26.5 53 -0.6 0 0.0 0 0.0 0 0.0 9 34
8 A 8 THR T T T 3 TS+ 0 0 -110.0 20.0 -179.6 142.8 91.7 82.3 0 0.0 0 0.0 0 0.0 0 0.0 6 31
9 A 9 ALA A t < T + 0 0 -61.4 137.3 179.5 166.6 21.9 110.5 6 -1.7 0 0.0 0 0.0 0 0.0 11 45
10 A 10 THR T h > T - 0 0 -151.2 153.2 -179.6 -107.8 49.7 174.8 0 0.0 14 -4.1 0 0.0 0 0.0 8 37
11 A 11 ALA A H H > TS+ 0 0 -47.7 -55.0 179.9 42.9 124.2 18.3 0 0.0 15 -2.0 0 0.0 0 0.0 9 36
12 A 12 LYS K H H > TS+ 0 0 -60.0 -40.0 179.7 49.3 116.3 23.0 0 0.0 16 -1.8 0 0.0 0 0.0 6 27
13 A 13 THR T H H > TS+ 0 0 -66.4 -39.9 -179.9 56.0 106.1 23.9 0 0.0 17 -2.2 0 0.0 0 0.0 8 34
14 A 14 TYR Y H H X TS+ 0 0 -59.4 -40.0 179.5 51.8 106.4 22.5 10 -4.1 18 -1.9 0 0.0 0 0.0 12 50
15 A 15 THR T H H X TS+ 0 0 -62.7 -45.3 -179.3 51.1 107.5 20.3 11 -2.0 19 -2.4 0 0.0 0 0.0 10 44
16 A 16 LYS K H H X TS+ 0 0 -60.0 -40.6 -179.5 54.5 107.5 23.4 12 -1.8 20 -2.8 0 0.0 0 0.0 8 33
17 A 17 PHE F H H X TS+ 0 0 -60.1 -47.0 -178.9 44.4 110.5 20.2 13 -2.2 21 -2.5 0 0.0 0 0.0 11 46
18 A 18 ILE I H H X TS+ 0 0 -67.6 -40.1 179.7 47.9 115.1 23.7 14 -1.9 22 -2.5 0 0.0 0 0.0 11 56
19 A 19 GLU E H H X TS+ 0 0 -66.9 -44.4 178.9 41.8 117.2 17.5 15 -2.4 23 -1.2 0 0.0 0 0.0 9 45
20 A 20 ASP D H H X TS+ 0 0 -67.7 -36.4 -179.6 57.9 112.2 26.4 16 -2.8 24 -2.0 0 0.0 0 0.0 9 39
21 A 21 PHE F H H X TS+ 0 0 -60.0 -50.0 179.7 46.4 105.8 16.7 17 -2.5 25 -1.2 0 0.0 0 0.0 11 55
22 A 22 ARG R H H < TS+ 0 0 -64.2 -25.1 179.7 49.3 115.4 34.6 18 -2.5 0 0.0 0 0.0 0 0.0 11 55
23 A 23 ALA A H H < TS+ 0 0 -83.5 -25.5 -179.0 68.2 98.6 39.9 19 -1.2 0 0.0 0 0.0 0 0.0 8 37
24 A 24 THR T H H < TS+ 0 0 -60.1 -50.0 -178.9 59.1 95.0 17.2 20 -2.0 0 0.0 0 0.0 0 0.0 8 43
25 A 25 LEU L S h < TS- 0 0 -81.2 153.2 -179.7 -104.7 95.6 119.3 21 -1.2 0 0.0 0 0.0 0 0.0 9 49
26 A 26 PRO P - 0 0 -58.9 -169.2 179.1 -124.8 28.8 76.5 0 0.0 0 0.0 0 0.0 0 0.0 8 40
27 A 27 PHE F - 0 0 -147.1 121.9 -179.7 -161.5 11.0 161.0 0 0.0 0 0.0 0 0.0 0 0.0 9 39
28 A 28 SER S S S S- 0 0 -70.0 -40.0 -179.8 -32.6 78.3 24.0 36 -1.9 0 0.0 0 0.0 0 0.0 8 36
29 A 29 HIS H - 0 0 -161.1 -173.5 179.8 -91.5 69.9 154.5 0 0.0 31 -0.5 0 0.0 0 0.0 8 33
30 A 30 LYS K - 0 0 -121.4 118.2 179.7 -171.4 30.4 159.6 0 0.0 32 -0.6 0 0.0 0 0.0 9 30
31 A 31 VAL V S S S- 0 0 -106.3 121.1 -178.2 -15.5 81.5 154.4 34 -1.7 0 0.0 29 -0.5 0 0.0 10 39
32 A 32 TYR Y S S S- 0 0 53.3 40.1 179.8 -58.7 128.4 22.5 30 -0.6 0 0.0 0 0.0 0 0.0 4 38
33 A 33 ASP D S S S+ 0 0 56.8 45.0 179.2 119.9 113.5 22.6 0 0.0 0 0.0 0 0.0 0 0.0 5 28
34 A 34 ILE I - 0 0 -140.0 150.0 179.2 -102.1 66.7 172.0 0 0.0 31 -1.7 0 0.0 0 0.0 9 41
35 A 35 PRO P e + 0 0 -59.3 170.9 179.7 170.5 42.4 90.3 0 0.0 238 -1.4 0 0.0 0 0.0 15 43
36 A 36 LEU L E E Bb - 238 0 -174.8 159.8 179.6 -120.7 27.9 163.4 0 0.0 28 -1.9 0 0.0 0 0.0 15 49
37 A 37 LEU L E E Bb - 239 0 -118.3 136.7 178.0 -134.2 20.1 159.7 238 -1.5 240 -1.6 0 0.0 241 -0.6 18 49
38 A 38 TYR Y - 0 0 -65.9 -167.1 179.7 -75.0 53.3 84.0 0 0.0 0 0.0 0 0.0 0 0.0 14 40
39 A 39 SER S S S S- 0 0 -60.9 -44.4 -179.6 -4.1 114.9 19.5 242 -0.8 0 0.0 0 0.0 0 0.0 10 39
40 A 40 THR T - 0 0 -150.1 141.0 179.1 -156.6 66.4 172.4 0 0.0 0 0.0 0 0.0 0 0.0 7 40
41 A 41 ILE I - 0 0 -105.7 -172.6 179.5 -52.1 51.7 113.9 0 0.0 0 0.0 0 0.0 0 0.0 10 34
42 A 42 SER S h > T - 0 0 -60.0 138.2 -179.7 -134.2 47.1 109.4 0 0.0 46 -3.1 0 0.0 0 0.0 6 29
43 A 43 ASP D H H > TS+ 0 0 -63.3 -40.0 179.4 52.6 107.7 23.8 0 0.0 47 -1.4 0 0.0 0 0.0 7 32
44 A 44 SER S H H 4 TS+ 0 0 -64.8 -30.8 179.7 29.9 123.7 30.0 0 0.0 0 0.0 0 0.0 0 0.0 6 27
45 A 45 ARG R H H 4 TS+ 0 0 -100.6 -16.0 179.5 77.2 105.6 51.3 0 0.0 0 0.0 0 0.0 0 0.0 9 36
46 A 46 ARG R H H < TS+ 0 0 -60.1 -40.0 -179.6 61.0 90.5 24.2 42 -3.1 66 -1.8 0 0.0 48 -0.7 11 47
47 A 47 PHE F E E T - 0 0 -70.0 160.0 180.0 -104.3 33.8 107.4 58 -2.9 57 -1.7 52 -0.5 0 0.0 14 45
55 A 55 TYR Y T T 3 TS+ 0 0 -61.0 -7.9 179.8 70.1 122.4 48.3 0 0.0 0 0.0 0 0.0 0 0.0 10 32
56 A 56 ALA A T T 3 TS- 0 0 -95.9 25.5 179.7 -107.4 121.1 85.7 0 0.0 0 0.0 0 0.0 0 0.0 6 28
57 A 57 TYR Y S t < TS+ 0 0 57.7 20.0 178.8 139.4 78.3 42.2 54 -1.7 0 0.0 0 0.0 0 0.0 7 26
58 A 58 GLU E e - 0 0 -94.1 145.8 -177.4 -146.4 42.1 134.8 0 0.0 54 -2.9 0 0.0 0 0.0 7 33
59 A 59 THR T E E AC + 53 0 -120.0 134.6 178.4 170.3 20.6 160.0 0 0.0 0 0.0 0 0.0 0 0.0 8 39
60 A 60 ILE I E E AC - 52 0 -130.0 166.6 -179.7 -126.2 26.0 148.4 52 -2.8 52 -2.2 0 0.0 0 0.0 13 51
61 A 61 SER S E E ACD - 51 75 -119.6 140.0 -179.9 -161.5 15.5 159.4 75 -1.8 75 -3.2 0 0.0 0 0.0 11 55
62 A 62 VAL V E E ACD - 50 74 -121.1 130.0 179.6 -156.1 4.4 164.3 50 -1.8 50 -2.4 0 0.0 0 0.0 12 66
63 A 63 ALA A E E ACD + 49 73 -105.6 133.5 -178.9 172.3 19.2 149.9 73 -1.7 73 -1.3 0 0.0 72 -0.9 14 62
64 A 64 ILE I E E ACD - 48 71 -137.2 159.9 179.0 -103.1 37.0 161.3 48 -1.9 48 -1.7 0 0.0 0 0.0 13 64
65 A 65 ASP D E E >AC T - 47 0 -82.8 132.0 -178.2 -140.3 26.1 130.9 70 -1.9 69 -0.9 0 0.0 0 0.0 12 59
66 A 66 VAL V T e 4 TS+ 0 0 -60.0 -43.3 -177.1 53.6 92.5 25.7 46 -1.8 0 0.0 0 0.0 0 0.0 13 55
67 A 67 THR T T T 4 TS+ 0 0 -59.2 -85.4 -178.6 13.1 127.3 13.0 0 0.0 0 0.0 0 0.0 0 0.0 12 52
68 A 68 ASN N T T 4 TS- 0 0 -70.0 -9.5 179.7 -135.6 97.8 49.5 0 0.0 0 0.0 0 0.0 0 0.0 7 60
69 A 69 VAL V t < T + 0 0 56.0 55.5 178.5 149.7 49.6 14.3 65 -0.9 0 0.0 0 0.0 0 0.0 11 68
70 A 70 TYR Y e - 0 0 -121.2 139.5 -178.5 -108.2 54.7 161.5 0 0.0 65 -1.9 0 0.0 72 -0.7 10 53
71 A 71 VAL V E E AD - 64 0 -66.9 112.9 177.0 -179.7 32.6 119.2 0 0.0 0 0.0 0 0.0 0 0.0 11 66
72 A 72 VAL V E E A* - 0 0 -77.4 -39.7 -177.9 -29.2 68.4 27.1 63 -0.9 83 -1.0 70 -0.7 0 0.0 11 60
73 A 73 ALA A E E ADE - 63 82 -160.4 180.0 177.8 -141.3 59.2 162.1 63 -1.3 63 -1.7 0 0.0 0 0.0 12 71
74 A 74 TYR Y E E ADE - 62 81 -154.4 157.7 -177.9 -125.0 14.2 173.7 81 -1.6 81 -1.6 0 0.0 0 0.0 12 67
75 A 75 ARG R E E ADE - 61 80 -111.2 130.2 178.6 -177.5 22.1 155.2 61 -3.2 61 -1.8 0 0.0 0 0.0 13 54
76 A 76 THR T E E A E> T - 0 79 -122.7 138.4 -178.7 -38.0 63.0 163.9 79 -3.1 79 -3.4 0 0.0 0 0.0 10 48
77 A 77 ARG R T T 3 TS- 0 0 46.3 -123.6 179.9 -31.6 124.5 101.8 0 0.0 0 0.0 0 0.0 0 0.0 7 33
78 A 78 ASP D T e 3 TS+ 0 0 -109.9 20.0 -179.4 85.5 125.8 83.0 0 0.0 99 -2.2 0 0.0 0 0.0 7 26
79 A 79 VAL V E E AEf< T - 76 99 -125.0 133.5 179.1 -173.9 52.7 166.4 76 -3.4 76 -3.1 0 0.0 0 0.0 10 33
80 A 80 SER S E E AEf - 75 100 -126.0 135.9 -179.6 -171.3 5.6 167.3 99 -1.3 101 -2.0 0 0.0 0 0.0 14 46
81 A 81 TYR Y E E AEf - 74 101 -130.1 152.0 -177.4 -179.4 4.3 159.3 74 -1.6 74 -1.6 0 0.0 0 0.0 11 55
82 A 82 PHE F E E AEf - 73 102 -138.6 171.0 179.6 -108.9 26.5 150.6 101 -1.1 103 -1.4 0 0.0 0 0.0 14 55
83 A 83 PHE F E E A * - 0 0 -86.7 -159.1 -179.7 -104.5 39.1 88.0 72 -1.0 0 0.0 0 0.0 0 0.0 15 46
84 A 84 LYS K E E A f S+ 0 106 -126.0 175.6 179.0 44.8 85.9 138.9 105 -0.9 107 -1.5 0 0.0 0 0.0 12 30
85 A 85 GLU E S S S+ 0 0 73.6 -7.1 179.2 7.4 130.9 69.2 0 0.0 0 0.0 0 0.0 0 0.0 7 25
86 A 86 SER S S t > TS+ 0 0 -163.2 -58.0 177.8 67.2 113.8 77.6 0 0.0 89 -1.4 0 0.0 0 0.0 8 36
87 A 87 PRO P T T > TS+ 0 0 -50.3 -31.9 -178.9 81.3 81.7 40.1 0 0.0 90 -3.5 0 0.0 0 0.0 11 45
88 A 88 PRO P T h > > TS+ 0 0 -49.3 -38.3 177.8 73.3 74.3 24.9 0 0.0 91 -3.3 0 0.0 92 -0.6 11 37
89 A 89 GLU E H H > X TS+ 0 0 -47.3 -13.7 178.7 80.6 81.0 37.5 86 -1.4 92 -1.3 0 0.0 93 -0.9 7 36
90 A 90 ALA A H H > < TS+ 0 0 -60.0 -40.0 179.1 70.4 72.7 23.0 87 -3.5 94 -0.9 0 0.0 0 0.0 9 46
91 A 91 TYR Y H H 4 < TS+ 0 0 -44.3 -34.7 -177.8 56.3 97.1 30.5 88 -3.3 0 0.0 0 0.0 0 0.0 8 36
92 A 92 ASN N H H < < TS- 0 0 -67.8 -50.3 -177.3 -3.1 131.5 19.7 89 -1.3 0 0.0 88 -0.6 0 0.0 8 31
93 A 93 ILE I H H < TS+ 0 0 -114.1 -45.3 -175.8 67.8 116.7 38.4 89 -0.9 0 0.0 0 0.0 0 0.0 10 35
94 A 94 LEU L S h < TS+ 0 0 -49.8 -118.6 -177.2 15.9 103.5 38.5 90 -0.9 0 0.0 0 0.0 0 0.0 8 46
95 A 95 PHE F - 0 0 -59.2 138.9 179.1 -172.5 64.3 107.5 0 0.0 0 0.0 0 0.0 0 0.0 11 42
96 A 96 LYS K S S S- 0 0 -134.0 79.0 -180.0 -6.9 74.3 130.8 0 0.0 0 0.0 0 0.0 0 0.0 7 30
97 A 97 GLY G S S S+ 0 0 131.3 -47.5 -179.8 105.3 101.5 103.1 0 0.0 0 0.0 0 0.0 0 0.0 4 18
98 A 98 THR T S S S- 0 0 -60.0 162.7 -179.3 -81.2 85.9 98.0 0 0.0 0 0.0 0 0.0 0 0.0 8 26
99 A 99 ARG R E E Af - 79 0 -62.4 166.0 -177.3 -144.5 46.4 96.8 78 -2.2 80 -1.3 0 0.0 0 0.0 7 25
100 A 100 LYS K E E Af + 80 0 -140.0 129.9 179.1 166.9 23.5 169.6 0 0.0 0 0.0 0 0.0 0 0.0 8 33
101 A 101 ILE I E E Af - 81 0 -143.4 123.6 179.3 -160.9 15.4 163.3 80 -2.0 82 -1.1 0 0.0 103 -0.6 8 37
102 A 102 THR T E E Af - 82 0 -107.7 122.5 -179.4 -133.3 20.4 153.6 0 0.0 0 0.0 0 0.0 0 0.0 10 40
103 A 103 LEU L E E A* - 0 0 -70.0 147.0 179.3 -113.9 24.6 114.9 82 -1.4 0 0.0 101 -0.6 0 0.0 9 42
104 A 104 PRO P E E A* S+ 0 0 -58.2 -2.4 -179.7 101.3 92.3 56.0 0 0.0 0 0.0 0 0.0 0 0.0 6 30
105 A 105 TYR Y E E A* S- 0 0 -84.1 149.8 179.4 -129.1 73.4 123.8 0 0.0 84 -0.9 0 0.0 0 0.0 10 35
106 A 106 THR T E E Af - 84 0 -95.3 156.1 179.9 -95.9 34.4 130.0 0 0.0 108 -5.2 0 0.0 0 0.0 11 33
107 A 107 GLY G S e S+ 0 0 -63.6 51.9 -179.5 114.5 92.3 94.8 84 -1.5 0 0.0 0 0.0 0 0.0 12 43
108 A 108 ASN N S h > TS- 0 0 -127.1 147.1 -179.8 -135.5 71.3 161.8 106 -5.2 112 -1.7 0 0.0 0 0.0 7 40
109 A 109 TYR Y H H > TS+ 0 0 -66.3 -39.3 -179.2 57.3 105.6 25.7 0 0.0 113 -3.6 0 0.0 0 0.0 6 45
110 A 110 GLU E H H > TS+ 0 0 -60.0 -43.7 179.6 50.2 105.4 20.3 0 0.0 114 -2.5 0 0.0 0 0.0 6 25
111 A 111 ASN N H H > TS+ 0 0 -60.4 -46.8 179.2 39.6 117.6 16.4 0 0.0 115 -2.0 0 0.0 0 0.0 10 32
112 A 112 LEU L H H X TS+ 0 0 -70.0 -35.1 179.9 59.6 111.2 28.3 108 -1.7 116 -3.1 0 0.0 0 0.0 13 41
113 A 113 GLN Q H H X >TS+ 0 0 -60.0 -42.1 179.9 45.5 107.8 21.8 109 -3.6 117 -1.2 0 0.0 118 -1.0 10 33
114 A 114 THR T H H < 5TS+ 0 0 -66.9 -49.9 -179.6 45.8 115.1 15.7 110 -2.5 0 0.0 0 0.0 0 0.0 8 26
115 A 115 ALA A H H < 5TS+ 0 0 -60.0 -45.4 -179.8 38.8 121.0 20.1 111 -2.0 0 0.0 0 0.0 0 0.0 8 29
116 A 116 ALA A H H < 5TS- 0 0 -79.2 -15.1 -179.6 -148.1 95.1 47.0 112 -3.1 0 0.0 0 0.0 0 0.0 10 35
117 A 117 HIS H T h < 5T + 0 0 50.0 40.0 -179.9 99.5 63.8 24.7 113 -1.2 0 0.0 0 0.0 0 0.0 7 24
118 A 118 LYS K t T - 0 0 -122.2 161.6 179.2 -111.4 31.2 147.3 0 0.0 122 -1.2 0 0.0 0 0.0 7 36
120 A 120 ARG R G G > TS+ 0 0 -60.0 -34.1 -179.8 63.4 119.3 26.6 0 0.0 123 -1.8 0 0.0 0 0.0 7 47
121 A 121 GLU E G G 3 TS+ 0 0 -59.6 -29.8 -179.0 42.6 107.1 33.6 0 0.0 0 0.0 0 0.0 0 0.0 9 34
122 A 122 ASN N G G < TS+ 0 0 -100.0 10.0 179.8 97.8 95.8 71.5 119 -1.2 0 0.0 0 0.0 0 0.0 8 31
123 A 123 ILE I S g < TS- 0 0 -100.6 136.4 -179.3 -121.0 75.7 144.6 120 -1.8 0 0.0 0 0.0 0 0.0 11 45
124 A 124 ASP D - 0 0 -70.3 155.3 179.9 -174.7 33.6 109.6 0 0.0 0 0.0 0 0.0 0 0.0 10 44
125 A 125 LEU L B B A + 177 0 -146.2 165.2 179.7 98.6 24.7 163.0 177 -0.8 177 -2.4 0 0.0 0 0.0 14 53
126 A 126 GLY G S h > > TS- 0 0 131.4 151.9 179.7 -75.6 80.1 114.6 0 0.0 130 -1.8 0 0.0 129 -0.6 16 55
127 A 127 LEU L H H > > TS+ 0 0 -42.4 -60.0 178.6 47.7 134.4 20.7 172 -1.5 130 -1.6 169 -0.7 131 -1.1 15 58
128 A 128 PRO P H H > 3 TS+ 0 0 -51.2 -35.4 178.8 61.6 104.5 29.0 0 0.0 132 -1.4 0 0.0 0 0.0 13 47
129 A 129 ALA A H H > < TS+ 0 0 -60.0 -33.7 178.9 60.7 96.0 27.0 126 -0.6 133 -1.8 0 0.0 0 0.0 11 52
130 A 130 LEU L H H X < TS+ 0 0 -60.0 -40.0 179.2 59.7 96.0 22.5 126 -1.8 134 -2.9 127 -1.6 0 0.0 13 68
131 A 131 SER S H H X TS+ 0 0 -54.3 -42.8 178.5 51.6 103.3 19.7 127 -1.1 135 -3.7 0 0.0 0 0.0 12 57
132 A 132 SER S H H X TS+ 0 0 -60.1 -40.0 180.0 50.1 110.3 23.1 128 -1.4 136 -3.6 0 0.0 0 0.0 9 52
133 A 133 ALA A H H X TS+ 0 0 -63.2 -60.0 179.6 34.9 118.6 6.5 129 -1.8 137 -2.5 0 0.0 0 0.0 13 58
134 A 134 ILE I H H X TS+ 0 0 -60.4 -43.9 -179.8 48.0 123.4 19.9 130 -2.9 138 -1.7 0 0.0 0 0.0 15 59
135 A 135 THR T H H X TS+ 0 0 -63.0 -48.2 -178.8 48.1 111.9 19.2 131 -3.7 139 -1.8 0 0.0 0 0.0 9 45
136 A 136 THR T H H < TS+ 0 0 -62.0 -42.6 -179.2 55.0 107.9 22.8 132 -3.6 0 0.0 0 0.0 0 0.0 13 44
137 A 137 LEU L H H < > TS+ 0 0 -60.0 -40.2 178.6 53.1 104.8 21.6 133 -2.5 140 -1.6 0 0.0 0 0.0 12 48
138 A 138 PHE F H H < 3 TS+ 0 0 -60.0 -40.0 177.6 38.1 117.9 18.3 134 -1.7 0 0.0 0 0.0 0 0.0 8 40
139 A 139 TYR Y T h < 3 TS- 0 0 -101.1 49.3 -178.0 -155.4 99.1 109.3 135 -1.8 0 0.0 0 0.0 0 0.0 6 32
140 A 140 TYR Y t < T - 0 0 -29.5 103.6 178.1 -166.0 9.7 85.9 137 -1.6 142 -0.7 0 0.0 0 0.0 8 36
141 A 141 ASN N t > T - 0 0 -103.0 113.6 -178.3 -137.4 19.8 150.6 0 0.0 145 -4.1 0 0.0 0 0.0 8 24
142 A 142 ALA A T T 4 TS+ 0 0 -34.2 -56.1 -177.5 37.3 102.6 30.3 140 -0.7 0 0.0 0 0.0 0 0.0 6 31
143 A 143 GLN Q T h > TS+ 0 0 -68.6 -55.0 -178.6 33.1 127.4 12.5 0 0.0 147 -0.8 0 0.0 0 0.0 8 30
144 A 144 SER S H H > > TS+ 0 0 -70.0 -40.0 -178.9 81.5 99.9 24.4 0 0.0 148 -3.3 0 0.0 147 -0.5 10 39
145 A 145 ALA A H H X 3 TS+ 0 0 -30.0 -61.2 179.7 45.4 95.8 31.2 141 -4.1 149 -2.1 0 0.0 0 0.0 11 52
146 A 146 PRO P H H > 3 TS+ 0 0 -53.2 -48.3 -180.0 43.4 117.2 21.5 0 0.0 150 -1.7 0 0.0 0 0.0 11 53
147 A 147 SER S H H X < TS+ 0 0 -70.0 -25.6 -179.5 60.1 110.1 36.8 143 -0.8 151 -1.6 144 -0.5 0 0.0 12 54
148 A 148 ALA A H H X TS+ 0 0 -66.4 -60.0 -179.6 38.3 109.1 6.3 144 -3.3 152 -1.7 0 0.0 0 0.0 13 58
149 A 149 LEU L H H X TS+ 0 0 -60.0 -35.2 179.8 62.8 110.6 27.6 145 -2.1 153 -2.8 0 0.0 0 0.0 11 71
150 A 150 LEU L H H X TS+ 0 0 -58.3 -40.0 178.1 50.7 101.8 21.2 146 -1.7 154 -2.4 0 0.0 0 0.0 8 68
151 A 151 VAL V H H X TS+ 0 0 -62.1 -41.2 179.3 52.6 108.8 20.0 147 -1.6 155 -3.0 0 0.0 0 0.0 14 64
152 A 152 LEU L H H X >TS+ 0 0 -60.1 -43.4 -179.9 52.2 106.9 21.6 148 -1.7 156 -3.6 0 0.0 157 -0.9 12 70
153 A 153 ILE I H H < >TS+ 0 0 -60.0 -46.5 -179.8 43.0 113.8 18.1 149 -2.8 158 -3.7 0 0.0 0 0.0 11 64
154 A 154 GLN Q H H < >TS+ 0 0 -67.0 -40.0 -178.0 40.8 121.3 25.8 150 -2.4 159 -0.5 0 0.0 0 0.0 9 67
155 A 155 THR T H H < 5TS+ 0 0 -80.2 -33.2 -178.5 16.9 133.6 32.7 151 -3.0 0 0.0 0 0.0 0 0.0 14 70
156 A 156 THR T T h X 5TS+ 0 0 -105.0 -60.4 -178.3 34.2 132.1 32.3 152 -3.6 160 -1.7 0 0.0 0 0.0 8 76
157 A 157 ALA A H H > TS+ 0 0 -70.0 -29.6 179.5 63.7 101.9 31.4 234 -1.6 167 -3.0 0 0.0 0 0.0 12 50
164 A 164 TYR Y H H > TS+ 0 0 -58.9 -51.1 178.7 42.7 104.9 14.4 234 -0.7 168 -2.1 0 0.0 0 0.0 9 51
165 A 165 ILE I H H > TS+ 0 0 -61.2 -40.0 179.6 54.5 113.4 22.0 0 0.0 169 -2.6 0 0.0 0 0.0 11 61
166 A 166 GLU E H H X TS+ 0 0 -60.0 -41.6 -179.6 52.5 106.1 24.1 162 -1.8 170 -3.2 0 0.0 0 0.0 15 56
167 A 167 ARG R H H X TS+ 0 0 -61.8 -53.8 -179.6 43.8 111.4 12.2 163 -3.0 171 -2.5 0 0.0 0 0.0 8 48
168 A 168 HIS H H H X TS+ 0 0 -60.1 -40.6 179.5 44.4 119.0 22.4 164 -2.1 172 -1.0 0 0.0 0 0.0 8 50
169 A 169 VAL V H H < TS+ 0 0 -69.9 -40.0 -179.3 49.3 114.5 23.8 165 -2.6 127 -0.7 0 0.0 0 0.0 12 55
170 A 170 ALA A H H < TS+ 0 0 -69.4 -29.5 -179.8 66.6 99.7 34.0 166 -3.2 0 0.0 0 0.0 0 0.0 13 49
171 A 171 LYS K H H < TS+ 0 0 -60.0 -38.9 -180.0 66.5 92.8 24.1 167 -2.5 173 -0.8 0 0.0 0 0.0 7 32
172 A 172 TYR Y h < T + 0 0 -86.6 110.7 179.7 151.3 53.4 136.0 168 -1.0 127 -1.5 0 0.0 0 0.0 12 38
173 A 173 VAL V S S S+ 0 0 -120.0 10.0 -179.7 9.4 81.0 74.8 171 -0.8 0 0.0 0 0.0 0 0.0 11 36
174 A 174 ALA A S S S+ 0 0 -154.5 -40.9 -179.8 64.1 114.9 67.0 0 0.0 0 0.0 0 0.0 0 0.0 7 28
175 A 175 THR T S S S- 0 0 -91.2 166.9 179.7 -127.7 73.0 118.8 0 0.0 0 0.0 0 0.0 0 0.0 7 24
176 A 176 ASN N + 0 0 -117.7 129.5 -179.2 175.3 28.4 162.1 0 0.0 0 0.0 0 0.0 0 0.0 11 32
177 A 177 PHE F B B A - 125 0 -134.8 141.1 -179.7 -114.9 31.7 172.2 125 -2.4 125 -0.8 0 0.0 0 0.0 8 34
178 A 178 LYS K - 0 0 -69.9 151.0 -179.6 -111.5 38.4 112.9 0 0.0 0 0.0 0 0.0 0 0.0 10 40
179 A 179 PRO P - 0 0 -60.5 -148.7 179.5 -118.6 34.6 63.8 0 0.0 0 0.0 0 0.0 0 0.0 11 49
180 A 180 ASN N h > > T - 0 0 -155.0 160.0 -179.9 -103.9 21.9 172.2 0 0.0 184 -1.3 0 0.0 183 -1.0 9 39
181 A 181 LEU L H H > 3 TS+ 0 0 -60.0 -18.7 -179.4 75.8 112.6 41.5 0 0.0 185 -1.9 0 0.0 0 0.0 10 34
182 A 182 ALA A H H > 3 TS+ 0 0 -60.0 -47.5 -180.0 41.2 98.0 18.0 0 0.0 186 -1.8 0 0.0 0 0.0 13 45
183 A 183 ILE I H H > < TS+ 0 0 -67.8 -40.0 -178.9 59.6 111.1 24.3 180 -1.0 187 -3.7 0 0.0 0 0.0 11 56
184 A 184 ILE I H H X TS+ 0 0 -53.5 -68.2 -179.6 30.1 115.4 10.5 180 -1.3 188 -1.8 0 0.0 0 0.0 10 47
185 A 185 SER S H H X TS+ 0 0 -60.0 -40.0 -179.7 54.4 121.8 22.6 181 -1.9 189 -2.7 0 0.0 0 0.0 10 37
186 A 186 LEU L H H X TS+ 0 0 -60.9 -40.0 -179.2 55.4 104.1 24.7 182 -1.8 190 -2.9 0 0.0 0 0.0 11 50
187 A 187 GLU E H H X TS+ 0 0 -60.0 -48.8 -179.3 38.8 113.8 17.6 183 -3.7 191 -0.8 0 0.0 0 0.0 8 53
188 A 188 ASN N H H X TS+ 0 0 -69.5 -40.1 -178.9 49.1 118.3 24.9 184 -1.8 192 -0.9 0 0.0 0 0.0 8 39
189 A 189 GLN Q H H X TS+ 0 0 -68.1 -37.4 -179.4 73.4 94.9 27.6 185 -2.7 193 -3.4 0 0.0 0 0.0 11 46
190 A 190 TRP W H H X TS+ 0 0 -43.8 -46.3 -178.8 52.2 95.7 25.7 186 -2.9 194 -3.5 0 0.0 0 0.0 8 62
191 A 191 SER S H H X TS+ 0 0 -60.1 -45.6 180.0 41.5 114.0 19.2 187 -0.8 195 -1.8 0 0.0 0 0.0 9 48
192 A 192 ALA A H H X TS+ 0 0 -69.1 -40.0 -179.8 46.0 118.9 23.8 188 -0.9 196 -1.7 0 0.0 0 0.0 9 42
193 A 193 LEU L H H X TS+ 0 0 -70.0 -38.6 -179.3 56.3 108.9 26.1 189 -3.4 197 -2.1 0 0.0 0 0.0 9 55
194 A 194 SER S H H X TS+ 0 0 -60.1 -53.1 179.8 43.2 109.7 13.2 190 -3.5 198 -1.5 0 0.0 0 0.0 11 64
195 A 195 LYS K H H X TS+ 0 0 -60.1 -40.0 178.8 52.2 114.3 20.3 191 -1.8 199 -1.5 0 0.0 0 0.0 12 52
196 A 196 GLN Q H H X TS+ 0 0 -64.5 -29.6 179.1 65.4 99.3 31.3 192 -1.7 200 -2.8 0 0.0 0 0.0 11 43
197 A 197 ILE I H H X TS+ 0 0 -59.9 -42.5 178.2 50.4 99.2 18.7 193 -2.1 201 -0.8 0 0.0 0 0.0 11 53
198 A 198 PHE F H H < > TS+ 0 0 -59.8 -39.9 179.0 48.4 112.4 19.2 194 -1.5 201 -1.1 0 0.0 0 0.0 9 47
199 A 199 LEU L H H X > TS+ 0 0 -66.3 -34.9 -179.4 73.2 94.8 29.3 195 -1.5 202 -1.9 0 0.0 203 -1.0 10 34
200 A 200 ALA A H H X 3>TS+ 0 0 -51.4 -23.9 -179.7 72.7 83.4 36.8 196 -2.8 205 -0.9 0 0.0 204 -0.6 13 39
201 A 201 GLN Q H H < <5TS+ 0 0 -60.1 -39.9 -179.2 30.5 107.5 25.0 198 -1.1 0 0.0 197 -0.8 0 0.0 8 29
202 A 202 ASN N H H 4 <5TS+ 0 0 -98.8 0.0 179.6 65.6 112.5 62.3 199 -1.9 0 0.0 0 0.0 0 0.0 6 19
203 A 203 GLN Q H H < >5TS- 0 0 -98.0 0.0 -179.2 -123.0 103.7 63.2 199 -1.0 206 -0.6 0 0.0 0 0.0 9 24
204 A 204 GLY G T h < 35TS- 0 0 70.0 7.7 179.6 -37.2 85.4 51.2 200 -0.6 0 0.0 0 0.0 0 0.0 6 21
205 A 205 GLY G T e 3CG > T - 219 0 -70.5 151.2 179.7 -109.8 31.6 112.6 219 -1.6 218 -1.6 0 0.0 219 -0.6 10 38
216 A 216 PRO P T T 4 3 TS+ 0 0 -55.1 -19.8 -180.0 76.6 112.2 43.7 0 0.0 0 0.0 0 0.0 0 0.0 9 37
217 A 217 THR T T T 4 3 TS- 0 0 -60.2 -40.1 -179.8 -102.4 118.1 23.2 0 0.0 0 0.0 0 0.0 0 0.0 5 23
218 A 218 GLY G T T 4 < TS+ 0 0 124.9 23.2 -179.6 105.4 85.3 55.6 215 -1.6 0 0.0 0 0.0 0 0.0 9 22
219 A 219 GLU E E E TS- 206 0 -147.6 174.5 -179.8 -95.3 86.5 156.7 0 0.0 228 -1.6 0 0.0 0 0.0 11 39
226 A 226 VAL V T e 3 TS+ 0 0 -65.5 -22.6 179.4 83.4 108.7 38.4 205 -1.8 0 0.0 0 0.0 0 0.0 11 39
227 A 227 ASP D T T 3 TS+ 0 0 -50.1 -28.8 -179.2 97.3 73.4 33.8 0 0.0 0 0.0 0 0.0 0 0.0 7 28
228 A 228 SER S S t > < TS- 0 0 -58.6 159.1 -179.1 -117.5 89.8 97.9 225 -1.6 232 -0.7 0 0.0 0 0.0 9 35
229 A 229 ASP D T T 4 >TS+ 0 0 -69.9 -32.2 -178.2 64.9 109.0 33.5 0 0.0 234 -0.6 0 0.0 0 0.0 8 38
230 A 230 VAL V T T 4 5TS+ 0 0 -59.9 -45.4 -178.9 47.3 101.5 21.6 0 0.0 0 0.0 0 0.0 0 0.0 8 54
231 A 231 VAL V T T 4 5TS+ 0 0 -70.1 -20.0 -179.5 84.8 100.6 40.9 0 0.0 0 0.0 0 0.0 0 0.0 11 52
232 A 232 LYS K T T < >5TS- 0 0 -61.6 -155.9 -179.2 -46.3 120.7 71.9 228 -0.7 235 -2.2 0 0.0 0 0.0 9 33
233 A 233 GLY G T T 35TS+ 0 0 -60.0 11.5 -179.9 86.6 126.7 65.7 0 0.0 0 0.0 0 0.0 0 0.0 8 32
234 A 234 ASN N T T 3 T + 0 0 -170.5 6.9 179.3 111.5 35.4 75.2 241 -0.7 246 -0.9 0 0.0 0 0.0 8 28
244 A 244 SER S G G > TS+ 0 0 -60.0 -37.3 178.1 53.9 84.5 23.0 0 0.0 247 -1.9 0 0.0 0 0.0 5 18
245 A 245 THR T G G > TS+ 0 0 -67.1 -20.0 178.9 77.1 90.2 39.2 0 0.0 248 -1.6 0 0.0 0 0.0 8 18
246 A 246 ALA A G G X TS+ 0 0 -65.2 -5.4 179.5 88.8 70.3 52.6 243 -0.9 249 -1.1 0 0.0 0 0.0 9 19
247 A 247 ASP D G G < TS+ 0 0 -60.0 -40.0 178.5 52.0 83.7 21.8 244 -1.9 0 0.0 0 0.0 0 0.0 7 15
248 A 248 GLU E G G < TS- 0 0 -68.9 -13.1 -179.6 -146.7 99.9 46.3 245 -1.6 0 0.0 0 0.0 0 0.0 7 13
249 A 249 ASN N S g < TS+ 0 0 49.9 35.2 179.9 86.2 77.2 27.7 246 -1.1 0 0.0 0 0.0 0 0.0 9 16
250 A 250 PHE F t > T + 0 0 -129.7 -65.8 178.7 56.0 69.3 54.6 0 0.0 254 -2.2 0 0.0 0 0.0 9 16
251 A 251 ILE I T T 4 TS+ 0 0 -42.4 -20.3 174.3 40.4 127.6 28.1 0 0.0 0 0.0 0 0.0 0 0.0 9 20
252 A 252 THR T T T 4 TS+ 0 0 -120.0 151.0 -178.6 20.2 126.0 151.3 0 0.0 0 0.0 0 0.0 0 0.0 8 23
253 A 253 THR T T T 4 TS+ 0 0 70.6 -14.0 175.9 64.7 121.7 72.8 0 0.0 0 0.0 0 0.0 0 0.0 7 20
254 A 254 MET M t < T + 0 0 -116.0 1.6 177.7 114.1 57.6 67.2 250 -2.2 0 0.0 0 0.0 0 0.0 7 17
255 A 255 THR T t > T + 0 0 -40.0 -21.6 -178.0 179.2 56.3 38.4 0 0.0 259 -0.8 0 0.0 0 0.0 9 16
256 A 256 LEU L T T 4 > T - 0 0 11.0 109.2 179.3 -111.3 46.3 50.3 0 0.0 259 -2.5 0 0.0 0 0.0 6 14
257 A 257 LEU L T T 4 3 TS+ 0 0 -33.0 -14.8 179.4 102.3 103.2 47.4 0 0.0 0 0.0 0 0.0 0 0.0 6 13
258 A 258 GLY G T T 4 3 T + 0 0 -44.5 -35.3 178.6 97.3 56.2 28.9 0 0.0 0 0.0 0 0.0 0 0.0 6 13
259 A 259 GLU E S t < < TS+ 0 0 -45.7 166.0 -177.5 41.4 77.3 90.5 256 -2.5 0 0.0 255 -0.8 0 0.0 6 13
260 A 260 SER S S S S- 0 0 51.8 43.9 -177.1 -176.2 86.5 13.0 0 0.0 0 0.0 0 0.0 0 0.0 6 9
261 A 261 VAL V + 0 0 -43.7 -50.1 -178.1 85.5 57.1 29.8 0 0.0 0 0.0 0 0.0 0 0.0 6 9
262 A 262 VAL V 0 0 -20.7 -90.0 179.9 999.9 999.9 41.6 0 0.0 0 0.0 0 0.0 0 0.0 3 7
263 A 263 ASN N 0 0 166.5 999.9 999.9 999.9 999.9 83.6 0 0.0 0 0.0 0 0.0 0 0.0 3 7
1d8vA.pdb
1D8V ANTITUMOR PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEESTT HHHHHHHHHHHHHHS S SSS EE S HHHHEEEEEEE TTS EEEEEEETTT EEEEEETTEEEEEESSTTHHHHHS SSSEE Kabs/Sand
chirality ----++++-++++++++++++++--------+-+-------+++++-------+-+-+---+--++-+--------+-----++++++++-++--+--+ chirality
bends SSS SSSSSSSSSSSSSSS S SSS S SSSSS SSS SSS SS SSSSSSSSSSS SSS bends
turns TTTTTTTTTTTTTTTTTTTT TTTTTT TTTT TTTTT TTTT TTTTTTTTT turns
5-turns 5-turns
3-turns >33< >33< >33< >>>X<<< 3-turns
bridge-2 CCCCCCC DDDD EEEE ffff*f bridge-2
bridge-1 aaaa bb aaaa CCCCCCC D*DDD EEEE ff bridge-1
sheets AAAA BB AAAAAAA AAAAAAA AAAAAA AAAAAA AA sheets
4-turns >>>>XXXXXXXX<<<< >>44<< >444< >>>4<<< 4-turns
summary EEEEeTTthHHHHHHHHHHHHHHh S SSS eEE S hHHHHEEEEEEEeTTteEEEEEEEeTTteEEEEEETeEEEEEEStThHHHHHh SSSEE summary
sequence DVNFDLSTATAKTYTKFIEDFRATLPFSHKVYDIPLLYSTISDSRRFILLNLTSYAYETISVAIDVTNVYVVAYRTRDVSYFFKESPPEAYNILFKGTRK sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEEEEESSHHHHHHHHT GGGS BSHHHHHHHHHHHHT TTHHHHHHHHHHHHTHHHHHBHHHHHHHHH SSS B HHHHHHHHHHHHHHHHHHHH Kabs/Sand
chirality ---+--+-+++++++-+--+++--+-++++++++++++---++++++++++++++++++++-++++++++++++-+----++++++++++++++++++++ chirality
bends SS SSSSSSSSSS SSSS SSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSS SSSSSSSSS SSS SSSSSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >>>55<<< > 5-turns
3-turns >>3<< >>3<< >33< >33< >33< >>3 3-turns
bridge-2 bridge-2
bridge-1 ff***f A B A bridge-1
sheets AAAAAA sheets
4-turns >>>>XX<<<< >>>>XXXXXX<<<< >4>>X>XXXXXX<<>4<>>XXX<<<< >>>>XXXXXXXXXXXXXX5555< 5-turns
3-turns <<>33< >33< >33< >33< >>>X<<< >33< 3-turns
bridge-2 bridge-2
bridge-1 G****GGGGG GGGGG*G B bb bridge-1
sheets CCCCCCCCCC CCCCCCC BB sheets
4-turns <4<< >444< >444< >444<>444< 4-turns
summary HHHheEEEEEEEEEETTTEEEEEEEeTtTTTTTTB SEEe gGGGGGgtTTTttTTTtS summary
sequence QNQGGKFRNPVDLIKPTGERFQVTNVDSDVVKGNIKLLLNSRASTADENFITTMTLLGESVVN sequence
210 220 230 240 250 260