Secondary structure calculation program - copyright by David Keith Smith, 1989
1jpyA.pdb
1JPY IMMUNE SYSTEM MOL_ID: 1; MOL_ID: 1;
Sequence length - 121
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 8 HIS H g > T 0 0 999.9 3.6 177.0 999.9 999.9 999.9 0 0.0 4 -1.0 0 0.0 0 0.0 4 14
2 A 9 THR T G G > T + 0 0 -72.3 -15.2 -178.4 83.3 999.9 46.3 0 0.0 5 -1.3 0 0.0 0 0.0 4 10
3 A 10 PHE F G G 3 TS+ 0 0 -59.5 -29.1 -177.1 52.7 82.1 42.2 0 0.0 0 0.0 0 0.0 0 0.0 4 13
4 A 11 PHE F G G < TS+ 0 0 -93.4 0.8 178.8 104.0 87.5 59.1 1 -1.0 0 0.0 0 0.0 0 0.0 6 19
5 A 12 GLN Q g < T - 0 0 -72.1 173.1 178.3 -133.5 63.3 96.0 2 -1.3 0 0.0 0 0.0 0 0.0 6 19
6 A 13 LYS K - 0 0 -119.9 161.8 179.7 -74.5 46.7 144.3 0 0.0 0 0.0 0 0.0 0 0.0 5 19
7 A 14 PRO P t > T - 0 0 -61.2 133.3 -179.0 -126.2 42.7 114.1 0 0.0 10 -0.5 0 0.0 0 0.0 5 14
8 A 15 GLU E T T 3 TS+ 0 0 -47.7 -37.3 179.9 76.1 105.8 32.0 0 0.0 10 -2.0 0 0.0 0 0.0 4 12
9 A 16 SER S T T 3 TS+ 0 0 -65.9 33.5 -178.6 102.1 83.1 88.5 0 0.0 0 0.0 0 0.0 0 0.0 4 8
10 A 17 CYS C S t < TS- 0 0 -125.3 150.6 179.6 -102.9 83.5 154.9 8 -2.0 0 0.0 7 -0.5 0 0.0 6 14
11 A 18 PRO P - 0 0 -70.9 116.4 -179.6 -125.3 45.3 124.5 0 0.0 0 0.0 0 0.0 0 0.0 4 13
12 A 19 PRO P - 0 0 -62.5 146.6 -179.4 -157.3 25.1 105.2 0 0.0 0 0.0 0 0.0 0 0.0 4 15
13 A 20 VAL V - 0 0 -112.7 -171.0 179.4 -27.6 47.5 113.2 0 0.0 0 0.0 0 0.0 0 0.0 6 15
14 A 21 PRO P S S S- 0 0 4.6 -115.1 177.3 -67.0 97.0 57.2 0 0.0 0 0.0 0 0.0 0 0.0 5 13
15 A 22 GLY G S S S- 0 0 -128.1 -34.5 179.2 -30.1 111.2 65.9 0 0.0 0 0.0 0 0.0 0 0.0 4 12
16 A 23 GLY G S S S+ 0 0 170.3 83.9 179.0 140.0 79.9 97.7 0 0.0 0 0.0 0 0.0 0 0.0 5 21
17 A 24 SER S - 0 0 -141.5 135.2 179.6 -153.9 27.3 174.9 0 0.0 0 0.0 0 0.0 0 0.0 6 24
18 A 25 MET M - 0 0 -98.0 167.9 -178.5 -106.6 28.0 125.4 0 0.0 20 -0.6 0 0.0 0 0.0 5 24
19 A 26 LYS K - 0 0 -103.1 112.2 179.5 -165.9 28.0 149.6 0 0.0 21 -0.7 0 0.0 0 0.0 4 20
20 A 27 LEU L - 0 0 -103.0 109.5 -179.5 -141.7 15.8 150.7 18 -0.6 0 0.0 0 0.0 0 0.0 4 23
21 A 28 ASP D - 0 0 -70.7 151.8 -179.1 -105.1 21.5 107.0 19 -0.7 0 0.0 0 0.0 0 0.0 4 15
22 A 29 ILE I S S S+ 0 0 -81.0 136.5 -179.9 51.5 79.5 124.2 0 0.0 0 0.0 0 0.0 0 0.0 4 14
23 A 30 GLY G S S S- 0 0 115.0 145.3 178.6 -113.8 71.7 95.0 0 0.0 25 -0.6 0 0.0 0 0.0 4 14
24 A 31 ILE I t > T - 0 0 -113.3 117.2 -179.4 -125.5 32.4 162.2 0 0.0 27 -1.5 0 0.0 0 0.0 5 15
25 A 32 ILE I T T 3 TS- 0 0 -65.1 127.0 178.2 -0.2 90.7 115.7 23 -0.6 0 0.0 0 0.0 0 0.0 4 10
26 A 33 ASN N T T > TS+ 0 0 66.9 29.6 -179.9 153.0 78.4 38.3 0 0.0 29 -1.5 0 0.0 0 0.0 5 9
27 A 34 GLU E T T < T + 0 0 -59.8 -20.0 -176.4 78.3 57.4 44.2 24 -1.5 0 0.0 0 0.0 0 0.0 5 13
28 A 35 ASN N T T 3 TS+ 0 0 -72.1 -3.2 -177.6 105.6 71.5 61.5 0 0.0 0 0.0 0 0.0 0 0.0 4 9
29 A 36 GLN Q t < T - 0 0 -86.6 151.3 179.3 -164.5 48.0 120.2 26 -1.5 0 0.0 0 0.0 0 0.0 5 10
30 A 37 ARG R - 0 0 -138.7 121.8 179.9 -118.2 24.4 167.8 0 0.0 0 0.0 0 0.0 0 0.0 4 11
31 A 38 VAL V - 0 0 -51.5 140.8 179.1 -163.3 28.9 101.0 0 0.0 0 0.0 0 0.0 0 0.0 4 14
32 A 39 SER S + 0 0 -137.0 111.5 179.5 157.6 18.5 158.2 0 0.0 0 0.0 0 0.0 0 0.0 4 12
33 A 40 MET M - 0 0 -123.9 170.7 179.0 -66.2 51.0 140.6 0 0.0 0 0.0 0 0.0 0 0.0 5 15
34 A 41 SER S t > T - 0 0 -56.0 149.4 -179.4 -89.2 65.3 99.0 0 0.0 37 -1.5 0 0.0 0 0.0 5 16
35 A 42 ARG R T T 3 TS- 0 0 -64.6 137.4 179.7 -2.4 108.1 111.8 0 0.0 0 0.0 0 0.0 0 0.0 4 13
36 A 43 ASN N T h > > TS+ 0 0 48.6 37.6 -179.9 161.0 82.0 35.1 0 0.0 40 -2.5 0 0.0 39 -1.9 6 20
37 A 44 ILE I H H > < T + 0 0 -54.4 -39.2 -178.4 59.0 67.7 29.6 34 -1.5 41 -1.2 0 0.0 0 0.0 9 26
38 A 45 GLU E H H 4 3 TS+ 0 0 -69.2 -12.4 -178.9 34.6 114.6 50.8 0 0.0 45 -2.0 0 0.0 0 0.0 10 35
39 A 46 SER S H H 4 < TS+ 0 0 -107.7 -34.7 -179.3 52.1 115.9 44.8 36 -1.9 0 0.0 0 0.0 0 0.0 8 32
40 A 47 ARG R H H < TS+ 0 0 -78.8 -14.6 179.0 104.3 88.6 54.5 36 -2.5 0 0.0 0 0.0 0 0.0 7 29
41 A 48 SER S S h < TS- 0 0 -70.6 139.8 178.6 -133.2 77.2 117.0 37 -1.2 0 0.0 0 0.0 0 0.0 8 42
42 A 49 THR T S S S+ 0 0 -65.1 -20.1 175.6 45.0 112.5 42.2 0 0.0 71 -1.5 0 0.0 0 0.0 10 39
43 A 50 SER S S S S- 0 0 -120.6 72.2 -179.0 -167.7 95.3 130.8 0 0.0 0 0.0 0 0.0 0 0.0 17 44
44 A 51 PRO P e - 0 0 -60.1 157.0 179.7 -164.7 4.7 93.8 0 0.0 66 -2.3 0 0.0 67 -0.6 16 44
45 A 52 TRP W E E AA - 65 0 -145.9 157.7 179.8 -135.1 13.9 167.2 38 -2.0 0 0.0 0 0.0 0 0.0 13 40
46 A 53 ASN N E E AA - 64 0 -108.8 161.0 -179.3 -125.3 23.7 136.9 64 -3.2 64 -2.3 0 0.0 0 0.0 9 33
47 A 54 TYR Y E E AA - 63 0 -112.6 133.0 177.2 -166.0 15.1 155.9 0 0.0 49 -0.5 0 0.0 0 0.0 8 30
48 A 55 THR T E E AA - 62 0 -116.7 117.2 180.0 -149.5 14.3 164.9 62 -3.2 62 -2.9 0 0.0 50 -0.5 8 25
49 A 56 VAL V E E AA - 61 0 -89.1 123.4 175.8 -167.5 10.1 138.4 47 -0.5 0 0.0 0 0.0 0 0.0 8 24
50 A 57 THR T E E AA - 60 0 -106.7 145.7 -179.8 -160.9 7.0 150.9 60 -2.0 60 -1.5 48 -0.5 0 0.0 9 24
51 A 58 TRP W E E AA + 59 0 -134.0 129.5 -179.9 168.1 17.4 171.3 0 0.0 0 0.0 0 0.0 0 0.0 7 21
52 A 59 ASP D e > T - 0 0 -140.2 117.2 -178.9 -155.6 22.6 161.6 58 -1.5 55 -1.5 0 0.0 0 0.0 7 21
53 A 60 PRO P T T 3 TS+ 0 0 -63.0 -27.1 -179.1 57.1 95.2 40.6 0 0.0 0 0.0 0 0.0 0 0.0 6 20
54 A 61 ASN N T e 3 TS+ 0 0 -94.1 21.8 179.3 78.3 97.9 83.3 0 0.0 95 -3.4 0 0.0 0 0.0 8 24
55 A 62 ARG R E E BB < TS- 94 0 -132.9 144.6 177.9 -116.8 77.9 167.9 52 -1.5 0 0.0 0 0.0 0 0.0 10 29
56 A 63 TYR Y E E BB S+ 93 0 -125.5 118.3 -0.2 30.4 109.1 172.1 93 -2.7 93 -3.4 0 0.0 0 0.0 10 31
57 A 64 PRO P S S S- 0 0 -71.6 160.8 -177.9 -160.1 86.8 52.0 0 0.0 0 0.0 0 0.0 0 0.0 7 31
58 A 65 SER S S e S+ 0 0 -74.6 -42.0 -179.1 58.8 76.5 23.9 0 0.0 52 -1.5 0 0.0 60 -0.8 10 27
59 A 66 GLU E E E AA + 51 0 -98.0 108.4 177.2 179.6 61.6 144.3 0 0.0 61 -0.6 0 0.0 0 0.0 9 27
60 A 67 VAL V E E AA - 50 0 -107.3 114.0 -179.0 -149.4 18.6 159.7 50 -1.5 50 -2.0 58 -0.8 62 -0.7 9 34
61 A 68 VAL V E E AA - 49 0 -88.8 111.9 176.8 -162.5 9.9 139.6 59 -0.6 0 0.0 0 0.0 0 0.0 10 35
62 A 69 GLN Q E E AA - 48 0 -91.0 152.3 179.9 -143.1 9.2 129.2 48 -2.9 48 -3.2 60 -0.7 0 0.0 11 35
63 A 70 ALA A E E AA - 47 0 -116.9 151.1 179.7 -168.1 12.0 151.7 112 -1.3 0 0.0 0 0.0 0 0.0 12 36
64 A 71 GLN Q E E AA - 46 0 -141.1 125.1 178.9 -119.9 26.2 169.5 46 -2.3 46 -3.2 0 0.0 0 0.0 12 38
65 A 72 CYS C E E AA - 45 0 -62.8 126.9 178.1 -145.4 17.1 116.5 0 0.0 0 0.0 0 0.0 0 0.0 14 40
66 A 73 ARG R S e S+ 0 0 -65.8 -24.0 -177.9 30.4 74.2 44.3 44 -2.3 0 0.0 0 0.0 0 0.0 8 38
67 A 74 ASN N - 0 0 -138.8 166.4 178.4 -133.7 61.7 154.5 44 -0.6 0 0.0 0 0.0 0 0.0 10 36
68 A 75 LEU L S S S+ 0 0 -79.6 -47.2 178.8 37.2 99.6 25.2 0 0.0 83 -2.8 0 0.0 0 0.0 10 33
69 A 76 GLY G S S S- 0 0 -94.6 -177.4 178.6 -109.5 89.9 106.8 0 0.0 0 0.0 0 0.0 0 0.0 13 33
70 A 77 CYS C E E CC - 78 0 -99.8 -177.3 179.5 -107.9 36.9 112.4 78 -1.0 78 -2.1 0 0.0 0 0.0 15 36
71 A 78 ILE I E E CC - 77 0 -125.6 137.6 -178.6 -145.1 24.7 167.0 42 -1.5 0 0.0 0 0.0 0 0.0 11 33
72 A 79 ASN N e - 0 0 -86.0 178.4 -179.4 -84.3 40.4 101.0 76 -1.6 0 0.0 0 0.0 0 0.0 9 25
73 A 80 ALA A S S S+ 0 0 -50.7 -41.6 -179.8 52.2 128.7 31.3 0 0.0 0 0.0 0 0.0 0 0.0 5 16
74 A 81 GLN Q S S S- 0 0 -64.5 -45.7 178.9 -108.9 118.9 23.3 0 0.0 0 0.0 0 0.0 0 0.0 5 13
75 A 82 GLY G S S S+ 0 0 124.0 18.9 -179.7 130.3 71.3 55.8 0 0.0 0 0.0 0 0.0 0 0.0 6 20
76 A 83 LYS K e - 0 0 -110.9 141.4 179.1 -108.0 62.1 148.4 0 0.0 72 -1.6 0 0.0 0 0.0 7 23
77 A 84 GLU E E E CC - 71 0 -59.5 137.6 -178.5 -161.0 29.0 110.9 0 0.0 0 0.0 0 0.0 0 0.0 10 29
78 A 85 ASP D E E CC > T - 70 0 -128.3 88.4 -177.6 -169.5 7.0 145.0 70 -2.1 81 -2.5 0 0.0 70 -1.0 9 28
79 A 86 ILE I T T 3 TS+ 0 0 -65.6 12.7 176.4 83.8 77.1 72.5 0 0.0 0 0.0 0 0.0 0 0.0 8 26
80 A 87 SER S T T 3 TS+ 0 0 -80.7 -20.1 -179.7 45.9 99.1 44.7 0 0.0 0 0.0 0 0.0 0 0.0 7 21
81 A 88 MET M S t < TS- 0 0 -116.6 157.5 -178.4 -129.4 87.6 143.1 78 -2.5 0 0.0 0 0.0 0 0.0 11 30
82 A 89 ASN N E E B D - 0 118 -122.4 137.4 177.0 -147.3 5.0 157.1 118 -3.0 118 -2.9 0 0.0 84 -0.8 13 32
83 A 90 SER S E E B D + 0 117 -94.1 109.6 -179.2 173.6 34.6 150.1 68 -2.8 0 0.0 0 0.0 0 0.0 15 40
84 A 91 VAL V E E B D - 0 116 -120.9 147.2 -179.4 -112.1 27.2 157.0 116 -2.1 116 -2.1 82 -0.8 0 0.0 11 39
85 A 92 PRO P E E B D - 0 115 -80.8 155.3 175.9 -137.7 12.5 113.6 0 0.0 87 -0.6 0 0.0 0 0.0 11 38
86 A 93 ILE I E E B D - 0 114 -110.8 117.6 -178.8 -161.7 23.6 162.9 114 -3.1 113 -2.2 0 0.0 114 -0.9 9 31
87 A 94 GLN Q E E B D - 0 112 -105.8 135.3 178.7 -167.1 5.5 148.3 85 -0.6 0 0.0 0 0.0 0 0.0 9 26
88 A 95 GLN Q E E B D - 0 111 -123.7 136.8 177.9 -129.7 20.1 165.3 111 -3.3 111 -3.2 0 0.0 0 0.0 8 23
89 A 96 GLU E E E B D + 0 110 -81.9 126.0 177.5 175.1 38.5 134.8 0 0.0 0 0.0 0 0.0 0 0.0 8 21
90 A 97 THR T E E B D - 0 109 -131.2 170.7 179.8 -126.9 27.4 149.4 109 -2.6 109 -1.9 0 0.0 0 0.0 8 25
91 A 98 LEU L E E B D + 0 108 -118.6 131.9 176.6 176.7 23.7 162.6 0 0.0 0 0.0 0 0.0 0 0.0 8 26
92 A 99 VAL V E E B D - 0 107 -129.8 152.1 178.0 -120.7 28.2 162.6 107 -3.6 107 -2.5 0 0.0 0 0.0 11 33
93 A 100 VAL V E E BBD - 56 106 -94.4 136.0 175.4 -152.0 19.1 140.5 56 -3.4 56 -2.7 0 0.0 0 0.0 11 32
94 A 101 ARG R E E BBD - 55 105 -105.9 133.7 179.1 -135.8 13.3 157.2 105 -3.0 105 -2.1 0 0.0 0 0.0 11 28
95 A 102 ARG R E E B D - 0 104 -87.8 126.9 179.6 -164.7 22.6 138.2 54 -3.4 0 0.0 0 0.0 0 0.0 11 27
96 A 103 LYS K E E B D - 0 103 -119.1 148.4 -179.7 -4.2 43.5 153.5 103 -3.4 103 -2.4 0 0.0 0 0.0 9 23
97 A 104 HIS H S S S- 0 0 69.5 -173.2 -179.0 -85.8 79.4 92.4 0 0.0 0 0.0 0 0.0 0 0.0 7 15
98 A 105 GLN Q S g > TS- 0 0 -129.7 166.7 178.7 -18.8 71.2 147.4 0 0.0 101 -1.4 0 0.0 0 0.0 6 14
99 A 106 GLY G G G > TS- 0 0 42.0 -129.3 -178.1 -1.9 127.1 92.0 0 0.0 102 -1.3 0 0.0 0 0.0 5 10
100 A 107 CYS C G G 3 TS+ 0 0 -64.2 -29.8 179.1 61.1 129.8 38.7 0 0.0 0 0.0 0 0.0 0 0.0 4 9
101 A 108 SER S G G < TS+ 0 0 -81.5 13.2 179.4 142.1 74.9 73.1 98 -1.4 0 0.0 0 0.0 0 0.0 6 13
102 A 109 VAL V g < T + 0 0 -55.0 138.7 -179.6 173.1 24.0 104.8 99 -1.3 0 0.0 0 0.0 0 0.0 9 22
103 A 110 SER S E E BD - 96 0 -145.0 158.6 -179.4 -136.6 19.7 161.9 96 -2.4 96 -3.4 0 0.0 0 0.0 7 27
104 A 111 PHE F E E BD - 95 0 -128.7 143.7 -179.6 -175.4 14.3 163.4 0 0.0 0 0.0 0 0.0 0 0.0 8 32
105 A 112 GLN Q E E BD - 94 0 -136.2 140.6 -179.4 -114.8 28.0 174.3 94 -2.1 94 -3.0 0 0.0 0 0.0 8 29
106 A 113 LEU L E E BD - 93 0 -75.7 143.6 178.6 -169.9 29.4 117.4 0 0.0 0 0.0 0 0.0 0 0.0 8 29
107 A 114 GLU E E E BD - 92 0 -135.9 136.9 178.5 -140.4 14.0 178.3 92 -2.5 92 -3.6 0 0.0 109 -0.6 8 25
108 A 115 LYS K E E BD + 91 0 -102.9 124.2 178.2 179.2 22.1 150.6 0 0.0 0 0.0 0 0.0 0 0.0 8 24
109 A 116 VAL V E E BD - 90 0 -124.8 139.1 178.6 -134.0 25.0 166.8 90 -1.9 90 -2.6 107 -0.6 111 -0.6 8 30
110 A 117 LEU L E E BD - 89 0 -90.9 123.0 178.8 -162.9 24.4 143.7 0 0.0 0 0.0 0 0.0 0 0.0 8 27
111 A 118 VAL V E E BD - 88 0 -110.2 135.5 177.3 -143.3 15.9 154.8 88 -3.2 88 -3.3 109 -0.6 113 -0.8 12 33
112 A 119 THR T E E BD - 87 0 -97.1 112.5 -175.4 -176.9 23.2 155.9 0 0.0 63 -1.3 0 0.0 0 0.0 11 34
113 A 120 VAL V E E B* - 0 0 -85.7 -31.2 179.7 -51.2 49.5 41.1 86 -2.2 0 0.0 111 -0.8 0 0.0 11 40
114 A 121 GLY G E E BD - 86 0 174.3 -176.4 178.6 -86.3 58.0 165.5 86 -0.9 86 -3.1 0 0.0 0 0.0 13 45
115 A 122 CYS C E E BD - 85 0 -120.2 158.7 177.1 -166.0 21.9 147.5 0 0.0 0 0.0 0 0.0 0 0.0 13 42
116 A 123 THR T E E BD - 84 0 -130.0 161.6 179.7 -111.3 29.5 149.4 84 -2.1 84 -2.1 0 0.0 118 -0.5 11 38
117 A 124 CYS C E E BD + 83 0 -103.9 123.4 -178.4 177.6 40.3 150.9 0 0.0 0 0.0 0 0.0 0 0.0 12 37
118 A 125 VAL V E E BD - 82 0 -122.3 169.2 178.3 -103.6 34.4 138.3 82 -2.9 82 -3.0 116 -0.5 0 0.0 8 28
119 A 126 THR T - 0 0 -91.3 130.5 -179.5 -105.1 51.2 143.6 0 0.0 0 0.0 0 0.0 0 0.0 7 21
120 A 127 PRO P 0 0 -53.1 158.9 -179.3 999.9 999.9 87.6 0 0.0 0 0.0 0 0.0 0 0.0 6 18
121 A 128 VAL V 0 0 -134.6 999.9 999.9 999.9 999.9 57.3 0 0.0 0 0.0 0 0.0 0 0.0 2 12
1jpyA.pdb
1JPY IMMUNE SYSTEM MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand GGG TTS SSS SS TTTT TTHHHHSSS EEEEEEE TTEESSEEEEEEES SSEE SSS EETTSEEEEEEEEEEEEEEESSGG Kabs/Sand
chirality +++---++------+-----+---+++---+---+++++-+--------+-++-+-++------+-+----+-+---++--+-----+-+--------+ chirality
bends SS SSS SSS SS SS S SS SSSSSS SSSSSS S SS SSS SSS SSSS bends
turns TTTTT TTTT TTTTTT TTTTTTTT TTTT TTTT TTT turns
5-turns 5-turns
3-turns >>3<< >33< >3><3< >3><3< >33< >33< >>3 3-turns
bridge-2 DDDDDDDDDDDDDDD bridge-2
bridge-1 AAAAAAA BB AAAAAAA CC CC BB bridge-1
sheets AAAAAAA BB AAAAAAA CC CC BBBBBBBBBBBBBBB sheets
4-turns >>44<< 4-turns
summary gGGGg tTTt SSS SStTTTTt tThHHHHhSSeEEEEEEEeTeEESeEEEEEEEe SSEEeSSSeEETTtEEEEEEEEEEEEEEESgGG summary
sequence HTFFQKPESCPPVPGGSMKLDIGIINENQRVSMSRNIESRSTSPWNYTVTWDPNRYPSEVVQAQCRNLGCINAQGKEDISMNSVPIQQETLVVRRKHQGC sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand G EEEEEEEEEEEEEEEE Kabs/Sand
chirality ++-----+--------+-- chirality
bends S bends
turns TT turns
5-turns 5-turns
3-turns << 3-turns
bridge-2 bridge-2
bridge-1 DDDDDDDDDD*DDDDD bridge-1
sheets BBBBBBBBBBBBBBBB sheets
4-turns 4-turns
summary GgEEEEEEEEEEEEEEEE summary
sequence SVSFQLEKVLVTVGCTCVTPV sequence
110 120