Secondary structure calculation program - copyright by David Keith Smith, 1989
1fyhB.pdb
1FYH IMMUNE SYSTEM MOL_ID: 1; MOL_ID: 1;
Sequence length - 201
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 B 12 VAL V 0 0 999.9 149.9 178.3 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 9 29
2 B 13 PRO P - 0 0 -59.8 175.9 -177.9 -94.6 999.9 95.7 0 0.0 0 0.0 0 0.0 0 0.0 6 31
3 B 14 THR T - 0 0 -100.9 140.8 179.1 -107.7 32.9 137.0 0 0.0 0 0.0 0 0.0 0 0.0 11 33
4 B 15 PRO P - 0 0 -57.3 155.6 179.9 -149.3 44.4 103.3 0 0.0 0 0.0 0 0.0 0 0.0 14 44
5 B 16 THR T E E AA + 21 0 -130.2 167.4 177.4 24.7 58.2 151.0 21 -2.6 21 -2.7 0 0.0 0 0.0 8 34
6 B 17 ASN N E E A* - 0 0 50.2 51.6 177.6 -168.5 67.5 28.4 0 0.0 0 0.0 0 0.0 0 0.0 7 29
7 B 18 VAL V E E A* + 0 0 -70.4 124.6 -174.0 171.5 15.8 125.4 0 0.0 0 0.0 0 0.0 0 0.0 13 43
8 B 19 THR T E E AA - 19 0 -138.2 153.0 178.0 -150.9 26.1 157.3 19 -2.7 19 -2.8 0 0.0 0 0.0 8 41
9 B 20 ILE I E E AA - 18 0 -130.1 128.4 178.9 -178.8 16.0 178.2 0 0.0 0 0.0 0 0.0 0 0.0 10 49
10 B 21 GLU E E E AA - 17 0 -126.2 143.8 179.3 -173.1 2.7 163.6 17 -2.1 17 -2.7 0 0.0 0 0.0 9 38
11 B 22 SER S + 0 0 -142.9 128.7 175.3 177.5 10.8 170.0 0 0.0 98 -2.3 0 0.0 0 0.0 12 41
12 B 23 TYR Y B B a S- 98 0 -127.4 125.9 -177.7 -4.2 84.8 176.7 0 0.0 0 0.0 0 0.0 0 0.0 10 34
13 B 24 ASN N S S S- 0 0 55.3 47.7 177.3 -59.0 130.9 24.0 98 -2.7 0 0.0 0 0.0 0 0.0 9 43
14 B 25 MET M S S S+ 0 0 53.6 48.5 179.6 127.5 103.2 28.1 0 0.0 0 0.0 0 0.0 0 0.0 13 46
15 B 26 ASN N - 0 0 -131.3 74.5 -179.0 -161.9 44.4 130.0 0 0.0 0 0.0 0 0.0 0 0.0 9 37
16 B 27 PRO P e - 0 0 -65.3 131.4 179.2 -175.0 8.8 111.4 0 0.0 59 -2.3 0 0.0 60 -0.5 13 50
17 B 28 ILE I E E AAB - 10 58 -126.8 139.0 178.5 -141.4 15.9 167.1 10 -2.7 10 -2.1 0 0.0 0 0.0 12 44
18 B 29 VAL V E E AAB - 9 57 -100.0 138.7 179.5 -175.4 21.3 147.3 57 -2.9 57 -1.9 0 0.0 0 0.0 13 55
19 B 30 TYR Y E E AAB + 8 56 -130.7 153.1 177.8 161.3 9.2 158.8 8 -2.8 8 -2.7 0 0.0 0 0.0 11 44
20 B 31 TRP W E E A* - 0 0 -158.0 173.4 179.3 -128.4 26.2 159.1 55 -1.5 0 0.0 0 0.0 0 0.0 11 42
21 B 32 GLU E E E AA - 5 0 -129.9 159.6 178.2 -165.0 16.9 156.8 5 -2.7 5 -2.6 0 0.0 0 0.0 9 38
22 B 33 TYR Y - 0 0 -146.1 143.4 179.2 -116.2 19.3 176.3 0 0.0 0 0.0 0 0.0 0 0.0 8 39
23 B 34 GLN Q - 0 0 -75.6 164.2 179.6 -86.8 41.6 105.0 0 0.0 0 0.0 0 0.0 0 0.0 5 27
24 B 35 ILE I - 0 0 -68.3 139.9 178.5 -175.5 49.3 116.4 0 0.0 0 0.0 0 0.0 0 0.0 4 22
25 B 36 MET M - 0 0 -131.8 168.2 178.8 -110.1 40.5 148.5 0 0.0 0 0.0 0 0.0 0 0.0 6 22
26 B 37 PRO P S S S+ 0 0 -74.8 -15.5 175.7 34.0 106.1 52.7 0 0.0 0 0.0 0 0.0 0 0.0 4 14
27 B 38 GLN Q S S S- 0 0 -129.4 174.7 178.7 -88.8 99.9 145.6 0 0.0 0 0.0 0 0.0 0 0.0 4 21
28 B 39 VAL V - 0 0 -87.3 112.4 179.8 -146.8 43.8 140.1 0 0.0 0 0.0 0 0.0 0 0.0 7 28
29 B 40 PRO P - 0 0 -77.0 155.9 174.3 -151.5 5.4 109.4 0 0.0 0 0.0 0 0.0 0 0.0 9 36
30 B 41 VAL V E E BC - 77 0 -123.8 154.5 -178.3 -149.9 11.8 160.4 77 -1.6 77 -2.2 0 0.0 0 0.0 11 40
31 B 42 PHE F E E BCD - 76 52 -124.4 157.2 176.7 -156.8 9.5 151.0 52 -2.7 52 -2.1 0 0.0 51 -0.5 14 50
32 B 43 THR T E E BCD - 75 50 -131.1 135.0 -179.2 -156.7 11.8 175.9 75 -2.1 75 -1.8 0 0.0 0 0.0 13 50
33 B 44 VAL V E E BCD - 74 49 -114.7 139.2 -179.9 -170.8 8.9 156.2 49 -2.8 48 -3.1 0 0.0 49 -0.6 13 56
34 B 45 GLU E E E BCD - 73 47 -130.8 147.6 -178.3 -157.3 5.2 166.7 73 -2.6 73 -2.4 0 0.0 0 0.0 12 52
35 B 46 VAL V E E BCD - 72 46 -126.5 138.4 176.7 -167.5 4.1 164.9 46 -2.4 46 -2.7 0 0.0 0 0.0 13 52
36 B 47 LYS K E E BC - 71 0 -126.9 123.6 -179.8 -154.7 11.5 171.9 71 -2.7 71 -2.0 0 0.0 0 0.0 11 44
37 B 48 ASN N E E BC > T - 70 0 -99.4 142.4 178.3 -105.2 27.5 140.1 0 0.0 40 -1.1 0 0.0 0 0.0 11 38
38 B 49 TYR Y T e 3 TS+ 0 0 -63.1 127.1 -179.9 36.7 109.5 118.0 69 -2.5 0 0.0 0 0.0 0 0.0 7 28
39 B 50 GLY G T T 3 TS+ 0 0 103.4 13.3 177.9 166.9 80.4 56.1 0 0.0 0 0.0 0 0.0 0 0.0 4 23
40 B 51 VAL V t < T - 0 0 -60.5 144.0 -177.3 -122.3 43.0 107.7 37 -1.1 0 0.0 0 0.0 0 0.0 8 22
41 B 52 LYS K S S S- 0 0 -56.2 -54.6 -179.9 -11.1 88.9 23.1 0 0.0 0 0.0 0 0.0 0 0.0 5 13
42 B 53 ASN N S S S- 0 0 -116.5 -111.8 178.1 -65.9 104.3 69.5 0 0.0 0 0.0 0 0.0 0 0.0 4 11
43 B 54 SER S S S S+ 0 0 -141.0 41.2 -170.7 141.5 78.8 90.5 0 0.0 0 0.0 0 0.0 0 0.0 5 16
44 B 55 GLU E - 0 0 -102.8 138.6 172.3 -150.1 41.5 128.3 0 0.0 0 0.0 0 0.0 0 0.0 7 20
45 B 56 TRP W - 0 0 -93.9 138.8 -178.1 -138.9 23.3 137.4 0 0.0 0 0.0 0 0.0 0 0.0 7 32
46 B 57 ILE I E E BD - 35 0 -108.0 134.3 179.4 -114.0 17.5 154.5 35 -2.7 35 -2.4 0 0.0 0 0.0 7 33
47 B 58 ASP D E E BD + 34 0 -67.1 127.1 176.9 173.9 34.0 116.7 0 0.0 0 0.0 0 0.0 0 0.0 9 34
48 B 59 ALA A E E B* S+ 0 0 -96.2 -63.0 177.3 2.6 72.2 31.6 33 -3.1 0 0.0 0 0.0 0 0.0 11 39
49 B 60 CYS C E E BD S- 33 0 -127.5 144.4 -174.7 -152.5 70.6 167.4 33 -0.6 33 -2.8 0 0.0 0 0.0 9 35
50 B 61 ILE I E E BD - 32 0 -123.0 122.6 177.4 -14.7 65.1 163.0 0 0.0 0 0.0 0 0.0 0 0.0 8 32
51 B 62 ASN N E E B* S+ 0 0 57.9 55.3 179.0 157.2 79.1 21.8 31 -0.5 0 0.0 0 0.0 0 0.0 7 29
52 B 63 ILE I E E BD - 31 0 -105.6 156.0 178.1 -152.6 36.5 139.5 31 -2.1 31 -2.7 0 0.0 0 0.0 9 32
53 B 64 SER S S S S+ 0 0 -103.8 -9.3 177.6 83.2 71.4 53.0 0 0.0 0 0.0 0 0.0 0 0.0 8 31
54 B 65 HIS H S S S- 0 0 -86.0 167.0 -173.8 -117.3 83.4 116.9 0 0.0 0 0.0 0 0.0 0 0.0 6 32
55 B 66 HIS H S e S+ 0 0 -104.1 40.0 178.2 59.4 78.8 100.3 0 0.0 20 -1.5 0 0.0 0 0.0 10 41
56 B 67 TYR Y E E AB - 19 0 -156.0 161.8 -179.4 -165.0 50.8 165.3 0 0.0 0 0.0 0 0.0 0 0.0 8 44
57 B 68 CYS C E E AB - 18 0 -155.8 121.3 177.4 -134.1 20.2 154.5 18 -1.9 18 -2.9 0 0.0 0 0.0 10 44
58 B 69 ASN N E E AB - 17 0 -76.2 122.0 -178.8 -179.2 21.9 131.3 0 0.0 0 0.0 0 0.0 0 0.0 9 41
59 B 70 ILE I e > T + 0 0 -110.3 18.0 179.2 119.8 41.8 78.0 16 -2.3 62 -3.0 0 0.0 0 0.0 11 48
60 B 71 SER S G G > TS+ 0 0 -48.0 -37.9 179.9 60.5 72.4 35.5 16 -0.5 63 -1.2 0 0.0 0 0.0 9 42
61 B 72 ASP D G G 3 TS+ 0 0 -70.4 -8.4 -179.2 54.2 102.1 56.2 0 0.0 0 0.0 0 0.0 0 0.0 5 28
62 B 73 HIS H G G < TS+ 0 0 -111.1 16.0 179.2 107.1 79.3 78.1 59 -3.0 0 0.0 0 0.0 0 0.0 7 40
63 B 74 VAL V g < T - 0 0 -92.1 129.5 176.7 -177.0 43.5 143.9 60 -1.2 0 0.0 0 0.0 0 0.0 9 46
64 B 75 GLY G - 0 0 -85.2 -105.6 178.9 -4.9 68.9 50.4 0 0.0 0 0.0 0 0.0 0 0.0 6 33
65 B 76 ASP D S t > TS- 0 0 -87.1 131.2 179.7 -129.0 72.8 136.3 0 0.0 68 -1.4 0 0.0 0 0.0 6 37
66 B 77 PRO P T T 3 TS+ 0 0 -56.2 -21.0 179.8 57.4 107.3 47.2 0 0.0 94 -2.7 0 0.0 0 0.0 12 48
67 B 78 SER S T T 3 TS+ 0 0 -85.3 -18.1 179.5 91.8 89.3 48.3 0 0.0 0 0.0 0 0.0 0 0.0 11 41
68 B 79 ASN N S t < TS- 0 0 -83.0 139.6 -178.4 -115.0 78.8 125.0 65 -1.4 0 0.0 0 0.0 0 0.0 10 36
69 B 80 SER S e - 0 0 -70.1 153.4 176.6 -177.1 31.2 104.4 0 0.0 38 -2.5 0 0.0 0 0.0 11 39
70 B 81 LEU L E E BCB - 37 91 -145.7 160.7 179.4 -151.9 11.5 162.8 91 -2.2 91 -2.5 0 0.0 0 0.0 12 52
71 B 82 TRP W E E BC - 36 0 -134.4 148.9 -179.5 -158.6 8.3 166.1 36 -2.0 36 -2.7 0 0.0 0 0.0 12 50
72 B 83 VAL V E E BC - 35 0 -128.1 148.3 175.1 -169.4 4.6 156.8 0 0.0 88 -2.4 0 0.0 0 0.0 12 58
73 B 84 ARG R E E BCE - 34 87 -140.5 146.4 -177.1 -162.4 3.2 177.1 34 -2.4 34 -2.6 0 0.0 0 0.0 11 50
74 B 85 VAL V E E BCE - 33 86 -127.9 136.0 175.4 -179.1 7.0 168.7 86 -2.2 86 -2.8 0 0.0 0 0.0 13 53
75 B 86 LYS K E E BC - 32 0 -132.8 154.9 179.8 -138.8 16.5 164.4 32 -1.8 32 -2.1 0 0.0 0 0.0 14 52
76 B 87 ALA A E E BC - 31 0 -108.3 159.1 -178.8 -154.7 16.8 137.3 0 0.0 83 -2.3 0 0.0 0 0.0 16 48
77 B 88 ARG R E E BCF - 30 82 -141.6 149.8 175.9 -168.8 20.4 169.7 30 -2.2 30 -1.6 0 0.0 0 0.0 12 36
78 B 89 VAL V E E B F> TS- 0 81 -133.1 89.1 -177.4 -71.5 70.8 146.8 81 -1.9 81 -2.6 0 0.0 80 -1.4 10 28
79 B 90 GLY G T T 3 TS- 0 0 60.2 -91.9 -177.8 -5.1 124.3 114.8 0 0.0 0 0.0 0 0.0 0 0.0 4 21
80 B 91 GLN Q T T 3 TS+ 0 0 -107.5 -18.4 179.8 88.6 118.1 53.1 78 -1.4 82 -0.6 0 0.0 0 0.0 5 18
81 B 92 LYS K E E BF < T - 78 0 -89.7 117.1 178.5 -172.1 55.3 138.9 78 -2.6 78 -1.9 0 0.0 0 0.0 7 22
82 B 93 GLU E E E BF - 77 0 -105.4 147.5 178.2 -130.9 16.1 143.0 80 -0.6 0 0.0 0 0.0 0 0.0 9 29
83 B 94 SER S e - 0 0 -80.9 -179.1 175.1 -85.9 36.0 99.2 76 -2.3 0 0.0 0 0.0 0 0.0 10 30
84 B 95 ALA A - 0 0 -78.6 160.6 178.3 -94.7 57.1 118.8 0 0.0 0 0.0 0 0.0 0 0.0 9 28
85 B 96 TYR Y - 0 0 -80.1 136.6 173.9 -144.9 28.6 126.9 0 0.0 0 0.0 0 0.0 0 0.0 10 38
86 B 97 ALA A E E BE - 74 0 -96.5 135.3 -176.1 -146.9 25.9 151.8 74 -2.8 74 -2.2 0 0.0 0 0.0 11 39
87 B 98 LYS K E E BE - 73 0 -110.9 147.0 176.2 -136.9 6.3 142.2 0 0.0 0 0.0 0 0.0 0 0.0 9 37
88 B 99 SER S e - 0 0 -86.7 166.0 174.5 -107.5 29.6 119.5 72 -2.4 0 0.0 0 0.0 0 0.0 11 41
89 B 100 GLU E - 0 0 -80.3 167.9 176.8 -70.4 58.2 114.9 0 0.0 0 0.0 0 0.0 0 0.0 6 34
90 B 101 GLU E - 0 0 -59.5 138.8 -180.0 -165.3 59.4 109.5 0 0.0 0 0.0 0 0.0 0 0.0 7 33
91 B 102 PHE F B B B - 70 0 -131.8 135.9 172.9 -177.6 17.4 173.9 70 -2.5 70 -2.2 0 0.0 0 0.0 11 43
92 B 103 ALA A h > T - 0 0 -130.0 125.5 -179.0 -143.3 23.0 170.5 0 0.0 96 -3.1 0 0.0 0 0.0 12 50
93 B 104 VAL V H H > TS+ 0 0 -52.6 -46.5 -178.7 48.9 100.0 26.2 0 0.0 97 -2.5 0 0.0 0 0.0 13 56
94 B 105 CYS C H H 4 TS+ 0 0 -64.2 -36.2 -180.0 36.3 120.1 30.6 66 -2.7 0 0.0 0 0.0 0 0.0 13 48
95 B 106 ARG R H H 4 TS+ 0 0 -82.8 -41.7 -174.5 28.5 130.1 27.6 0 0.0 0 0.0 0 0.0 0 0.0 9 42
96 B 107 ASP D H H < TS+ 0 0 -101.1 -16.0 179.5 75.2 104.5 53.9 92 -3.1 0 0.0 0 0.0 0 0.0 9 42
97 B 108 GLY G S h < TS- 0 0 -91.3 178.4 178.0 -122.6 71.5 111.3 93 -2.5 0 0.0 0 0.0 0 0.0 13 48
98 B 109 LYS K B B a - 12 0 -123.9 142.0 -179.1 -150.0 16.0 165.0 11 -2.3 13 -2.7 0 0.0 0 0.0 12 42
99 B 110 ILE I - 0 0 -110.1 144.9 179.8 -116.5 20.5 146.4 0 0.0 190 -1.8 0 0.0 0 0.0 12 46
100 B 111 GLY G - 0 0 -69.7 176.4 -178.5 -75.2 45.8 97.5 0 0.0 0 0.0 0 0.0 0 0.0 10 39
101 B 112 PRO P - 0 0 -78.5 159.9 178.2 -112.5 37.6 100.4 0 0.0 0 0.0 0 0.0 0 0.0 13 45
102 B 113 PRO P - 0 0 -76.7 167.7 174.7 -118.5 35.7 110.8 0 0.0 0 0.0 0 0.0 0 0.0 16 52
103 B 114 LYS K E E CG - 118 0 -111.0 129.6 -175.3 -155.3 29.7 166.3 118 -2.3 118 -3.2 0 0.0 0 0.0 9 44
104 B 115 LEU L E E CG - 117 0 -110.7 147.3 174.3 -173.5 13.8 149.3 0 0.0 0 0.0 0 0.0 0 0.0 12 47
105 B 116 ASP D E E CG - 116 0 -131.3 138.2 179.4 -163.2 8.5 174.0 116 -1.9 116 -2.5 0 0.0 0 0.0 8 39
106 B 117 ILE I E E CG + 115 0 -122.6 144.8 174.4 168.1 12.2 160.7 0 0.0 0 0.0 0 0.0 0 0.0 11 43
107 B 118 ARG R E E CG - 114 0 -145.3 160.6 -176.9 -123.6 25.2 164.3 114 -2.1 114 -2.7 0 0.0 0 0.0 8 33
108 B 119 LYS K E E CG + 113 0 -118.1 145.9 176.4 178.5 21.1 150.9 0 0.0 0 0.0 0 0.0 0 0.0 9 33
109 B 120 GLU E e - 0 0 -123.0 -175.0 -173.7 -70.1 52.8 130.7 112 -3.2 0 0.0 0 0.0 0 0.0 7 25
110 B 121 GLU E S S S- 0 0 -45.4 -68.0 -174.1 -1.9 122.9 29.6 0 0.0 0 0.0 0 0.0 0 0.0 4 21
111 B 122 LYS K S e S+ 0 0 -117.1 13.2 179.6 48.8 128.3 78.3 0 0.0 167 -2.2 0 0.0 0 0.0 7 26
112 B 123 GLN Q E E C H - 0 166 -152.2 163.1 178.3 -128.6 65.2 169.1 0 0.0 109 -3.2 0 0.0 0 0.0 10 33
113 B 124 ILE I E E CGH - 108 165 -110.6 138.3 179.8 -146.3 23.1 154.4 165 -2.6 165 -2.9 0 0.0 0 0.0 12 39
114 B 125 MET M E E CGH - 107 164 -108.3 132.0 -179.6 -164.1 11.9 157.4 107 -2.7 107 -2.1 0 0.0 0 0.0 12 41
115 B 126 ILE I E E CGH - 106 163 -121.4 128.3 176.8 -160.1 5.1 166.5 163 -2.9 163 -2.1 0 0.0 117 -0.5 12 49
116 B 127 ASP D E E CGH - 105 162 -105.2 122.8 179.7 -162.0 6.6 160.2 105 -2.5 105 -1.9 0 0.0 118 -0.7 11 49
117 B 128 ILE I E E CGH - 104 161 -111.1 107.8 -179.8 -158.6 4.5 153.5 161 -3.2 161 -2.1 115 -0.5 0 0.0 11 58
118 B 129 PHE F E E CGH - 103 160 -86.6 129.7 179.7 -112.6 25.9 134.2 103 -3.2 103 -2.3 116 -0.7 0 0.0 10 48
119 B 130 HIS H e - 0 0 -57.5 146.4 179.7 -81.8 45.4 101.0 159 -1.2 0 0.0 0 0.0 0 0.0 12 50
120 B 131 PRO P g > T - 0 0 -51.3 138.8 -177.6 -110.6 47.6 103.7 0 0.0 123 -2.5 0 0.0 0 0.0 11 47
121 B 132 SER S G G > TS+ 0 0 -45.3 -36.7 179.4 70.2 112.3 37.9 0 0.0 124 -2.1 0 0.0 0 0.0 6 31
122 B 133 VAL V G G 3 TS+ 0 0 -55.3 -25.5 -178.1 55.7 96.7 37.2 0 0.0 0 0.0 0 0.0 0 0.0 7 36
123 B 134 PHE F G G < T 0 0 -91.2 9.9 -179.3 999.9 999.9 72.0 120 -2.5 0 0.0 0 0.0 0 0.0 6 41
124!B 135 VAL V g < T 0 0 -125.1 999.9 999.9 999.9 999.9 147.3 121 -2.1 0 0.0 0 0.0 0 0.0 7 25
125!B 147 GLU E 0 0 999.9 80.3 -177.4 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 17
126 B 148 THR T - 0 0 -125.9 162.6 178.0 -115.2 999.9 145.2 0 0.0 0 0.0 0 0.0 0 0.0 7 26
127 B 149 THR T S S S+ 0 0 -83.0 3.0 179.1 99.7 90.4 65.9 0 0.0 129 -1.2 0 0.0 0 0.0 7 27
128 B 150 CYS C + 0 0 -90.9 91.3 179.8 113.5 53.5 138.6 0 0.0 0 0.0 0 0.0 0 0.0 10 43
129 B 151 TYR Y S e S- 0 0 -150.4 167.4 179.8 -82.6 75.3 157.9 127 -1.2 183 -2.6 0 0.0 131 -0.6 8 53
130 B 152 ILE I E E DI + 182 0 -82.8 120.2 -178.2 179.7 37.8 135.2 0 0.0 0 0.0 0 0.0 0 0.0 10 57
131 B 153 ARG R E E D* + 0 0 -88.7 -34.8 178.3 8.4 66.3 37.2 181 -2.7 150 -1.7 129 -0.6 151 -0.6 11 45
132 B 154 VAL V E E DIJ - 181 149 -148.4 148.4 175.8 -144.5 58.3 175.5 181 -1.3 181 -2.2 0 0.0 0 0.0 11 48
133 B 155 TYR Y E E DIJ - 180 148 -112.7 127.6 175.1 -149.9 13.0 167.5 148 -1.8 148 -2.6 0 0.0 135 -0.6 13 54
134 B 156 ASN N E E DIJ - 179 147 -93.8 120.8 -178.3 -159.3 18.3 154.5 179 -2.4 179 -1.6 0 0.0 136 -0.5 12 48
135 B 157 VAL V E E DIJ - 178 146 -112.0 121.3 -177.9 -158.6 3.9 158.4 146 -3.1 146 -3.0 133 -0.6 137 -0.6 12 54
136 B 158 TYR Y E E DIJ - 177 145 -102.4 118.5 -178.6 -175.2 12.2 150.1 177 -2.6 177 -2.0 134 -0.5 0 0.0 11 46
137 B 159 VAL V E E DIJ - 176 144 -117.8 137.0 174.9 -169.5 12.1 156.2 144 -2.8 144 -2.6 135 -0.6 0 0.0 12 47
138 B 160 ARG R E E DIJ - 175 143 -119.1 132.3 177.4 -173.5 6.0 172.5 175 -2.3 175 -2.7 0 0.0 0 0.0 11 36
139 B 161 MET M E E DIJ> T - 174 142 -131.4 116.3 -170.4 -48.0 65.0 165.8 142 -2.1 142 -2.4 0 0.0 0 0.0 11 36
140 B 162 ASN N T e 3 TS- 0 0 50.8 -125.1 177.2 -23.8 125.7 114.8 173 -2.0 0 0.0 0 0.0 0 0.0 8 27
141 B 163 GLY G T T 3 TS+ 0 0 -93.1 9.6 -179.4 88.7 123.3 69.3 0 0.0 0 0.0 0 0.0 0 0.0 5 20
142 B 164 SER S E E DJ < T - 139 0 -101.5 162.1 -179.5 -156.5 57.6 126.7 139 -2.4 139 -2.1 0 0.0 0 0.0 6 21
143 B 165 GLU E E E DJ + 138 0 -140.6 144.8 177.3 173.1 12.6 174.3 0 0.0 0 0.0 0 0.0 0 0.0 8 28
144 B 166 ILE I E E DJ - 137 0 -147.9 155.5 -179.1 -142.9 18.9 168.3 137 -2.6 137 -2.8 0 0.0 0 0.0 7 30
145 B 167 GLN Q E E DJ - 136 0 -123.2 136.7 178.0 -171.3 15.0 168.7 0 0.0 0 0.0 0 0.0 0 0.0 8 30
146 B 168 TYR Y E E DJ - 135 0 -120.9 162.4 -179.5 -144.1 10.8 147.9 135 -3.0 135 -3.1 0 0.0 0 0.0 8 36
147 B 169 LYS K E E DJ - 134 0 -129.7 133.9 178.1 -158.6 4.1 171.5 0 0.0 149 -0.5 0 0.0 0 0.0 8 37
148 B 170 ILE I E E DJ - 133 0 -114.3 121.3 178.8 -151.0 8.3 161.5 133 -2.6 133 -1.8 0 0.0 150 -0.8 10 45
149 B 171 LEU L E E DJ - 132 0 -89.5 114.3 -177.0 -161.9 6.8 140.0 147 -0.5 0 0.0 0 0.0 0 0.0 9 34
150 B 172 THR T S e S+ 0 0 -70.3 -20.9 -177.2 43.6 82.2 42.6 131 -1.7 0 0.0 148 -0.8 0 0.0 13 40
151 B 173 GLN Q S S S+ 0 0 -92.6 -48.0 178.5 48.7 110.1 20.4 131 -0.6 153 -1.9 0 0.0 0 0.0 6 28
152 B 174 LYS K S S S+ 0 0 -84.1 56.9 -178.7 82.8 103.6 109.5 0 0.0 0 0.0 0 0.0 0 0.0 5 20
153 B 175 GLU E t > T - 0 0 -167.8 130.9 177.5 -152.1 63.5 148.9 151 -1.9 156 -1.2 0 0.0 0 0.0 7 22
154 B 176 ASP D T T 3 TS+ 0 0 -68.7 -12.3 -178.0 81.8 93.2 56.0 0 0.0 0 0.0 0 0.0 0 0.0 5 20
155 B 177 ASP D T T 3 TS+ 0 0 -67.1 -29.8 -175.8 58.8 87.1 44.0 0 0.0 162 -0.5 0 0.0 0 0.0 8 29
156 B 178 CYS C B B C < T + 161 0 -114.5 149.7 175.5 156.8 53.2 145.4 153 -1.2 0 0.0 0 0.0 0 0.0 11 35
157 B 179 ASP D - 0 0 -141.0 -162.5 179.9 -66.2 61.0 131.6 160 -2.1 0 0.0 0 0.0 0 0.0 8 28
158 B 180 GLU E S S S+ 0 0 -68.3 -21.2 -179.6 37.0 129.7 49.9 0 0.0 0 0.0 0 0.0 0 0.0 5 31
159 B 181 ILE I S e S- 0 0 -101.8 -37.8 -175.8 -21.7 122.7 36.7 0 0.0 119 -1.2 0 0.0 0 0.0 8 30
160 B 182 GLN Q E E CH - 118 0 -165.8 171.4 176.5 -122.8 44.8 169.5 0 0.0 157 -2.1 0 0.0 0 0.0 10 41
161 B 183 CYS C E E CHC - 117 156 -119.7 153.4 178.7 -149.0 26.1 149.0 117 -2.1 117 -3.2 0 0.0 0 0.0 13 47
162 B 184 GLN Q E E CH - 116 0 -127.2 149.5 179.2 -175.2 12.0 161.9 155 -0.5 0 0.0 0 0.0 0 0.0 10 45
163 B 185 LEU L E E CH - 115 0 -144.2 136.0 178.0 -151.4 13.0 173.8 115 -2.1 115 -2.9 0 0.0 0 0.0 9 50
164 B 186 ALA A E E CH - 114 0 -109.6 127.9 -178.6 -167.1 13.9 160.8 0 0.0 0 0.0 0 0.0 0 0.0 8 42
165 B 187 ILE I E E CH - 113 0 -116.0 134.5 179.3 -120.7 21.7 162.3 113 -2.9 113 -2.6 0 0.0 0 0.0 8 47
166 B 188 PRO P E E CH - 112 0 -78.3 139.8 178.2 -136.5 19.4 122.3 0 0.0 0 0.0 0 0.0 0 0.0 7 37
167 B 189 VAL V e + 0 0 -89.0 135.8 -178.0 137.9 43.2 138.4 111 -2.2 0 0.0 0 0.0 0 0.0 8 36
168 B 190 SER S t > T + 0 0 -165.0 178.0 174.7 48.4 30.1 166.4 0 0.0 171 -2.0 0 0.0 0 0.0 6 29
169 B 191 SER S T T 3 TS- 0 0 53.4 25.5 179.7 -71.9 112.0 49.2 0 0.0 0 0.0 0 0.0 0 0.0 4 22
170 B 192 LEU L T T 3 TS+ 0 0 66.1 18.1 177.6 158.0 85.3 49.7 0 0.0 0 0.0 0 0.0 0 0.0 5 20
171 B 193 ASN N t < T - 0 0 -69.1 142.8 -179.3 -176.5 20.3 118.2 168 -2.0 0 0.0 0 0.0 0 0.0 10 30
172 B 194 SER S e + 0 0 -118.3 -20.9 -178.7 55.1 60.7 50.3 0 0.0 199 -3.3 0 0.0 0 0.0 10 31
173 B 195 GLN Q E E D K - 0 198 -120.9 123.4 176.3 -176.5 56.6 164.7 0 0.0 140 -2.0 0 0.0 0 0.0 10 36
174 B 196 TYR Y E E DIK - 139 197 -116.8 125.0 179.1 -170.6 5.8 171.9 197 -2.1 197 -2.0 0 0.0 0 0.0 13 47
175 B 197 CYS C E E DIK - 138 196 -118.1 130.1 -176.3 -168.8 7.0 166.4 138 -2.7 138 -2.3 0 0.0 0 0.0 11 45
176 B 198 VAL V E E DIK + 137 195 -127.4 137.4 174.0 165.8 15.0 162.8 195 -2.8 195 -2.1 0 0.0 0 0.0 11 55
177 B 199 SER S E E DI - 136 0 -137.5 160.7 -178.1 -168.6 12.8 159.5 136 -2.0 136 -2.6 0 0.0 0 0.0 13 53
178 B 200 ALA A E E DI - 135 0 -151.0 156.4 176.0 -165.3 12.5 173.8 0 0.0 192 -2.4 0 0.0 0 0.0 13 55
179 B 201 GLU E E E DI - 134 0 -138.5 146.0 178.6 -129.0 22.9 166.8 134 -1.6 134 -2.4 0 0.0 0 0.0 14 51
180 B 202 GLY G E E DI - 133 0 -94.4 159.2 177.9 -142.9 10.2 128.2 0 0.0 189 -2.0 0 0.0 0 0.0 15 58
181 B 203 VAL V E E DID - 132 188 -124.4 119.1 -176.5 -131.8 22.0 171.9 132 -2.2 131 -2.7 0 0.0 132 -1.3 13 46
182 B 204 LEU L E E >DI T - 130 0 -72.5 147.4 177.3 -110.3 20.0 108.7 187 -3.2 186 -1.0 0 0.0 0 0.0 15 46
183 B 205 HIS H T e 4 TS+ 0 0 -70.0 165.0 -178.3 18.3 92.6 107.2 129 -2.6 185 -1.8 0 0.0 0 0.0 11 39
184 B 206 VAL V T T 4 TS+ 0 0 72.6 -72.1 -179.0 29.0 134.6 119.7 0 0.0 0 0.0 0 0.0 0 0.0 6 29
185 B 207 TRP W T T 4 TS- 0 0 -97.4 -7.1 177.7 -128.7 95.9 57.1 183 -1.8 0 0.0 0 0.0 0 0.0 7 29
186 B 208 GLY G t < T + 0 0 68.4 25.6 178.6 166.2 45.2 40.3 182 -1.0 0 0.0 0 0.0 0 0.0 7 30
187 B 209 VAL V - 0 0 -72.9 142.5 179.7 -128.4 30.1 118.7 0 0.0 182 -3.2 0 0.0 0 0.0 9 38
188 B 210 THR T B B D - 181 0 -96.3 149.7 176.7 -133.2 8.3 131.7 0 0.0 0 0.0 0 0.0 0 0.0 10 41
189 B 211 THR T - 0 0 -82.6 176.8 176.4 -76.7 47.9 107.0 180 -2.0 0 0.0 0 0.0 0 0.0 13 47
190 B 212 GLU E - 0 0 -71.1 153.4 179.6 -108.0 54.1 117.8 99 -1.8 0 0.0 0 0.0 0 0.0 11 40
191 B 213 LYS K - 0 0 -88.4 133.7 -179.2 -117.3 33.0 135.1 0 0.0 0 0.0 0 0.0 0 0.0 11 38
192 B 214 SER S - 0 0 -66.6 149.2 173.7 -100.8 31.2 106.7 178 -2.4 0 0.0 0 0.0 0 0.0 11 36
193 B 215 LYS K - 0 0 -65.8 141.2 -174.6 -94.9 53.4 122.6 0 0.0 0 0.0 0 0.0 0 0.0 5 30
194 B 216 GLU E - 0 0 -67.7 138.1 177.2 -159.0 35.7 108.5 0 0.0 0 0.0 0 0.0 0 0.0 7 35
195 B 217 VAL V E E DK - 176 0 -113.6 139.1 -178.4 -155.8 13.1 161.6 176 -2.1 176 -2.8 0 0.0 0 0.0 10 35
196 B 218 CYS C E E DK - 175 0 -118.8 158.2 178.7 -168.5 12.8 144.4 0 0.0 0 0.0 0 0.0 0 0.0 9 37
197 B 219 ILE I E E DK - 174 0 -141.4 147.6 -179.1 -134.7 17.1 168.7 174 -2.0 174 -2.1 0 0.0 0 0.0 10 37
198 B 220 THR T E E DK - 173 0 -109.2 130.6 178.9 -158.3 10.0 156.2 0 0.0 0 0.0 0 0.0 0 0.0 7 35
199 B 221 ILE I e - 0 0 -107.0 128.1 180.0 -139.4 15.0 156.5 172 -3.3 201 -0.6 0 0.0 0 0.0 9 30
200 B 222 PHE F 0 0 -92.8 120.4 -178.2 999.9 999.9 144.5 0 0.0 0 0.0 0 0.0 0 0.0 4 22
201 B 223 ASN N 0 0 -74.2 999.9 999.9 999.9 999.9 95.1 199 -0.6 0 0.0 0 0.0 0 0.0 4 19
1fyhB.pdb
1FYH IMMUNE SYSTEM MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEEE BSS EEEEE SS EEEEEEEETT SSS EEEEEEESSSEEE GGG STTS EEEEEEEEETTEE EE B HHHHSB Kabs/Sand
chirality ---+-+---+--+----+------+-----------++---+---++--+-+-+---++++---++------------+------------++++---- chirality
bends SSS SS SS SSS SS S SSS SSS SSSS SSS SSSSS bends
turns TTTT TTTTT TTTT TTTT TTTTTT turns
5-turns 5-turns
3-turns >33< >>3<< >33< >33< 3-turns
bridge-2 BBB DDDDD B EE FF bridge-2
bridge-1 A**AAA a AAA*A CCCCCCCC DD*DD*D BBB CCCCCCCC FF EE B a bridge-1
sheets AAAAAA AAAAA BBBBBBBB BBBBBBB AAA BBBBBBBBB BB BB sheets
4-turns >>44<< 4-turns
summary EEEEEE BSS eEEEEE SS EEEEEEEEeTtSSS EEEEEEESSeEEEeGGGg tTTteEEEEEEEEETTEEe EEe BhHHHHhB summary
sequence VPTPTNVTIESYNMNPIVYWEYQIMPQVPVFTVEVKNYGVKNSEWIDACINISHHYCNISDHVGDPSNSLWVRVKARVGQKESAYAKSEEFAVCRDGKIG sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEEEEE SSEEEEEEE GGG S SEEEEEEEEEETTEEEEEEEESSS TTB SSEEEEEEE TT EEEEEEEEEETTT B EEEE Kabs/Sand
chirality -----+-+--+---------++ -++-++---------+-+------+++-+++-+--------++-+-+---+------++-+------------- chirality
bends SS SS S S SS SSS SS SS SS SSS bends
turns TTTTT TTTT TTTT TTTT TTTTT turns
5-turns 5-turns
3-turns >>3<< >33< >33< >33< 3-turns
bridge-2 HHHHHHH JJJJJJJJ C KKKK D bridge-2
bridge-1 GGGGGG GGGGGG I*IIIIIIII JJJJJJJJ C HHHHHHH IIIIIIIII D KKKK bridge-1
sheets CCCCCC CCCCCCC DDDDDDDDDD DDDDDDDD CCCCCCC DDDDDDDDDD DDDD sheets
4-turns >444< 4-turns
summary EEEEEEeSeEEEEEEEegGGGg S eEEEEEEEEEEeTEEEEEEEEeSStTTB SeEEEEEEEetTTteEEEEEEEEEEeTTt B EEEEe summary
sequence PPKLDIRKEEKQIMIDIFHPSVFVETTCYIRVYNVYVRMNGSEIQYKILTQKEDDCDEIQCQLAIPVSSLNSQYCVSAEGVLHVWGVTTEKSKEVCITIF sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand Kabs/Sand
chirality chirality
bends bends
turns turns
5-turns 5-turns
3-turns 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns 4-turns
summary summary
sequence N sequence
Messages
chain break between 124(B 135 ) and 125(B 147 )