Secondary structure calculation program - copyright by David Keith Smith, 1989
1scfA.pdb
1SCF HORMONE/GROWTH FACTOR MOL_ID: 1; MOL_ID: 1;
Sequence length - 116
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 11 ASN N h > > T 0 0 999.9 90.2 -167.8 999.9 999.9 999.9 0 0.0 5 -0.8 0 0.0 4 -0.8 4 32
2 A 12 VAL V H H > 3 T + 0 0 -80.4 7.6 176.0 80.1 999.9 68.9 0 0.0 6 -1.7 0 0.0 0 0.0 6 32
3 A 13 LYS K H H > 3 TS+ 0 0 -71.2 -43.9 -177.7 38.8 102.1 20.6 0 0.0 7 -1.8 0 0.0 0 0.0 6 25
4 A 14 ASP D H H > < TS+ 0 0 -77.5 -33.3 172.7 60.5 110.9 34.5 1 -0.8 8 -2.3 0 0.0 0 0.0 8 31
5 A 15 VAL V H H X TS+ 0 0 -59.5 -47.9 176.3 44.3 107.5 22.9 1 -0.8 9 -2.6 0 0.0 0 0.0 10 42
6 A 16 THR T H H X TS+ 0 0 -64.5 -40.6 174.7 52.4 113.1 23.6 2 -1.7 10 -2.7 0 0.0 0 0.0 8 31
7 A 17 LYS K H H X TS+ 0 0 -58.1 -37.6 -179.9 45.9 112.4 30.1 3 -1.8 11 -1.1 0 0.0 0 0.0 8 30
8 A 18 LEU L H H X > TS+ 0 0 -71.0 -56.0 169.5 49.6 111.9 11.2 4 -2.3 11 -1.0 0 0.0 12 -0.5 11 42
9 A 19 VAL V H H < > TS+ 0 0 -47.3 -40.2 173.8 48.3 113.0 29.0 5 -2.6 12 -0.9 0 0.0 0 0.0 11 37
10 A 20 ALA A H H < 3 TS+ 0 0 -72.5 -24.2 -177.7 48.9 112.7 38.1 6 -2.7 0 0.0 0 0.0 0 0.0 7 26
11 A 21 ASN N H H < < TS+ 0 0 -99.9 11.0 173.1 80.6 99.1 69.6 7 -1.1 0 0.0 8 -1.0 0 0.0 7 32
12 A 22 LEU L S h < < TS- 0 0 -109.3 142.1 -178.5 -102.9 92.1 154.5 9 -0.9 0 0.0 8 -0.5 0 0.0 8 33
13 A 23 PRO P t > T - 0 0 -64.4 136.9 -178.4 -127.1 28.1 115.2 0 0.0 16 -1.8 0 0.0 0 0.0 8 23
14 A 24 LYS K T T 3 TS+ 0 0 -57.7 -19.5 -178.5 44.3 107.1 45.0 0 0.0 0 0.0 0 0.0 0 0.0 7 20
15 A 25 ASP D T T 3 T 0 0 -113.8 9.7 169.9 999.9 999.9 77.4 0 0.0 0 0.0 0 0.0 0 0.0 5 18
16!A 26 TYR Y t < T 0 0 -77.3 999.9 999.9 999.9 999.9 142.1 13 -1.8 0 0.0 0 0.0 0 0.0 7 26
17!A 28 ILE I e 0 0 999.9 127.0 -179.9 999.9 999.9 999.9 0 0.0 85 -2.1 0 0.0 0 0.0 9 39
18 A 29 THR T E E AA + 84 0 -84.6 133.1 176.9 168.2 999.9 129.9 0 0.0 0 0.0 0 0.0 0 0.0 8 36
19 A 30 LEU L E E AA - 83 0 -139.7 139.8 171.8 -128.5 35.9 170.0 83 -2.7 83 -3.4 0 0.0 21 -0.6 12 38
20 A 31 LYS K E E AA - 82 0 -89.9 124.0 -160.8 -161.6 37.7 152.1 0 0.0 0 0.0 0 0.0 0 0.0 10 36
21 A 32 TYR Y e - 0 0 -124.5 129.4 176.9 -122.0 21.8 153.0 81 -1.6 0 0.0 19 -0.6 0 0.0 9 40
22 A 33 VAL V - 0 0 -68.1 118.9 175.6 -114.5 41.4 130.0 0 0.0 0 0.0 0 0.0 0 0.0 9 38
23 A 34 PRO P 0 0 -56.5 124.6 175.6 999.9 999.9 110.7 0 0.0 0 0.0 0 0.0 0 0.0 5 28
24!A 35 GLY G 0 0 81.8 999.9 999.9 999.9 999.9 58.8 0 0.0 26 -2.0 0 0.0 27 -1.4 6 28
25!A 37 ASP D 0 0 999.9 -21.2 -176.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 28
26 A 38 VAL V + 0 0 -128.5 -9.7 178.7 89.8 999.9 61.4 24 -2.0 0 0.0 0 0.0 0 0.0 5 23
27 A 39 LEU L S S S- 0 0 -87.2 151.4 173.2 -89.2 87.3 122.9 24 -1.4 0 0.0 0 0.0 0 0.0 10 32
28 A 40 PRO P g > T - 0 0 -57.8 150.6 -169.0 -116.6 37.9 101.4 0 0.0 31 -2.0 0 0.0 0 0.0 11 32
29 A 41 SER S G G > > TS+ 0 0 -64.9 -32.1 178.2 69.0 110.6 25.0 0 0.0 33 -2.3 0 0.0 32 -2.1 8 40
30 A 42 HIS H G G 4 3 TS+ 0 0 -56.6 -17.1 -177.0 62.5 93.2 49.2 0 0.0 0 0.0 0 0.0 0 0.0 7 39
31 A 43 CYS C G G 4 < TS+ 0 0 -82.1 -20.3 -164.6 8.4 122.8 48.5 28 -2.0 0 0.0 0 0.0 0 0.0 9 36
32 A 44 TRP W T g 4 < TS+ 0 0 -141.0 -16.4 -168.5 95.4 97.4 58.7 29 -2.1 0 0.0 0 0.0 0 0.0 8 44
33 A 45 ILE I S t < TS+ 0 0 -67.2 -29.3 177.7 52.2 86.4 39.8 29 -2.3 0 0.0 0 0.0 0 0.0 9 47
34 A 46 SER S 0 0 -71.7 -43.0 174.9 999.9 999.9 20.8 0 0.0 37 -1.0 0 0.0 0 0.0 9 40
35!A 47 GLU E 0 0 -67.5 999.9 999.9 999.9 999.9 30.1 0 0.0 38 -2.7 0 0.0 0 0.0 7 41
36!A 49 VAL V h > T 0 0 999.9 -32.0 176.1 999.9 999.9 999.9 0 0.0 40 -2.2 0 0.0 0 0.0 12 45
37 A 50 VAL V H H > T + 0 0 -71.4 -49.6 174.4 46.1 999.9 21.2 34 -1.0 41 -2.3 0 0.0 0 0.0 10 39
38 A 51 GLN Q H H > TS+ 0 0 -60.2 -38.0 179.1 47.7 114.5 30.5 35 -2.7 42 -2.4 0 0.0 0 0.0 10 48
39 A 52 LEU L H H > TS+ 0 0 -72.7 -38.1 172.8 50.7 111.0 28.2 0 0.0 43 -2.2 0 0.0 0 0.0 10 56
40 A 53 SER S H H X TS+ 0 0 -61.3 -42.7 -179.5 49.3 111.4 21.2 36 -2.2 44 -2.7 0 0.0 0 0.0 11 44
41 A 54 ASP D H H X TS+ 0 0 -66.7 -44.6 176.1 46.6 112.4 21.7 37 -2.3 45 -2.1 0 0.0 0 0.0 8 41
42 A 55 SER S H H X TS+ 0 0 -64.1 -39.3 178.2 45.6 115.2 27.6 38 -2.4 46 -1.2 0 0.0 0 0.0 11 48
43 A 56 LEU L H H X TS+ 0 0 -72.4 -37.6 176.5 51.9 110.6 28.2 39 -2.2 47 -1.0 0 0.0 0 0.0 12 55
44 A 57 THR T H H X > TS+ 0 0 -63.2 -38.2 176.6 51.7 110.1 18.0 40 -2.7 47 -0.9 0 0.0 48 -0.6 11 37
45 A 58 ASP D H H < > TS+ 0 0 -63.4 -34.6 179.3 60.9 101.7 34.7 41 -2.1 48 -0.8 0 0.0 0 0.0 8 33
46 A 59 LEU L H H < > TS+ 0 0 -63.0 -30.0 -178.8 71.0 88.2 36.7 42 -1.2 49 -2.2 0 0.0 0 0.0 9 42
47 A 60 LEU L H H < X TS+ 0 0 -56.8 -34.3 174.7 67.0 87.7 30.9 43 -1.0 50 -1.6 44 -0.9 0 0.0 11 30
48 A 61 ASP D T h < < TS+ 0 0 -57.2 -16.3 -174.4 55.7 95.7 53.1 45 -0.8 0 0.0 44 -0.6 0 0.0 7 23
49 A 62 LYS K T T < TS+ 0 0 -101.7 -5.8 -177.1 62.2 102.2 57.8 46 -2.2 0 0.0 0 0.0 0 0.0 6 28
50 A 63 PHE F S t < TS- 0 0 -123.9 160.9 179.2 -113.6 78.2 146.5 47 -1.6 0 0.0 0 0.0 0 0.0 8 29
51 A 64 SER S - 0 0 -99.4 145.5 -175.4 -153.1 3.6 136.6 0 0.0 0 0.0 0 0.0 0 0.0 8 22
52 A 65 ASN N S S S+ 0 0 -84.2 -25.6 179.4 83.8 81.1 55.4 0 0.0 54 -0.9 0 0.0 0 0.0 7 20
53 A 66 ILE I + 0 0 -88.1 105.0 -177.9 120.6 62.0 145.3 0 0.0 0 0.0 0 0.0 0 0.0 4 16
54 A 67 SER S - 0 0 -167.3 126.8 171.2 -134.8 54.2 151.2 52 -0.9 0 0.0 0 0.0 0 0.0 7 17
55 A 68 GLU E S S S- 0 0 -75.9 160.1 175.2 -13.5 75.7 119.3 0 0.0 0 0.0 0 0.0 0 0.0 5 12
56 A 69 GLY G S S S+ 0 0 56.7 -131.5 -178.8 34.8 124.5 99.0 0 0.0 0 0.0 0 0.0 0 0.0 4 15
57 A 70 LEU L + 0 0 -61.7 123.9 -179.9 177.3 69.1 111.2 0 0.0 0 0.0 0 0.0 0 0.0 6 25
58 A 71 SER S h > T - 0 0 -133.0 122.4 169.2 -159.7 29.0 174.0 0 0.0 62 -1.9 0 0.0 0 0.0 9 30
59 A 72 ASN N H H > TS+ 0 0 -64.3 -38.4 168.0 59.5 99.1 28.9 0 0.0 63 -2.6 0 0.0 0 0.0 9 38
60 A 73 TYR Y H H > TS+ 0 0 -50.5 -55.4 179.2 43.8 107.8 18.5 0 0.0 64 -2.2 0 0.0 0 0.0 10 33
61 A 74 SER S H H > TS+ 0 0 -63.5 -34.2 176.5 50.1 114.4 26.7 0 0.0 65 -1.8 0 0.0 0 0.0 9 35
62 A 75 ILE I H H X > TS+ 0 0 -63.2 -57.3 179.5 44.0 113.5 8.2 58 -1.9 66 -1.9 0 0.0 65 -0.6 11 43
63 A 76 ILE I H H X 3 TS+ 0 0 -53.7 -39.6 179.8 56.2 111.7 28.5 59 -2.6 67 -2.8 0 0.0 0 0.0 13 48
64 A 77 ASP D H H X 3 TS+ 0 0 -65.2 -39.2 172.3 47.1 106.9 30.7 60 -2.2 68 -1.8 0 0.0 0 0.0 11 37
65 A 78 LYS K H H X < TS+ 0 0 -70.2 -27.8 177.4 50.8 112.9 31.9 61 -1.8 69 -1.7 62 -0.6 0 0.0 8 38
66 A 79 LEU L H H X TS+ 0 0 -76.1 -31.5 175.9 55.4 105.6 30.2 62 -1.9 70 -2.0 0 0.0 0 0.0 9 48
67 A 80 VAL V H H X TS+ 0 0 -65.5 -40.2 174.3 50.3 108.2 22.7 63 -2.8 71 -2.0 0 0.0 0 0.0 11 41
68 A 81 ASN N H H X TS+ 0 0 -64.7 -38.3 171.3 49.4 108.9 31.0 64 -1.8 72 -1.3 0 0.0 0 0.0 8 34
69 A 82 ILE I H H X TS+ 0 0 -62.5 -46.2 -175.0 44.1 114.5 26.9 65 -1.7 73 -0.8 0 0.0 0 0.0 8 40
70 A 83 VAL V H H X TS+ 0 0 -73.8 -35.3 176.8 57.1 109.2 34.1 66 -2.0 74 -1.5 0 0.0 0 0.0 13 45
71 A 84 ASP D H H X TS+ 0 0 -63.9 -31.9 166.1 58.0 100.6 34.3 67 -2.0 75 -1.3 0 0.0 0 0.0 11 32
72 A 85 ASP D H H X TS+ 0 0 -52.7 -43.9 -179.0 46.3 109.5 29.2 68 -1.3 76 -2.0 0 0.0 0 0.0 8 30
73 A 86 LEU L H H X TS+ 0 0 -76.3 -31.2 173.4 60.1 103.3 38.0 69 -0.8 77 -2.3 0 0.0 0 0.0 9 37
74 A 87 VAL V H H < TS+ 0 0 -62.5 -31.6 176.2 40.3 113.6 32.6 70 -1.5 0 0.0 0 0.0 0 0.0 11 31
75 A 88 GLU E H H < > TS+ 0 0 -85.3 -40.6 168.8 53.8 110.4 33.6 71 -1.3 78 -0.5 0 0.0 0 0.0 7 22
76 A 89 CYS C H H < 3 TS+ 0 0 -52.2 -56.0 170.9 55.0 108.2 8.0 72 -2.0 0 0.0 0 0.0 0 0.0 6 23
77 A 90 VAL V T h < 3 T 0 0 -51.2 -21.3 163.6 999.9 999.9 52.1 73 -2.3 0 0.0 0 0.0 0 0.0 6 27
78!A 91 LYS K t < T 0 0 -86.6 999.9 999.9 999.9 999.9 34.7 75 -0.5 0 0.0 0 0.0 0 0.0 4 15
79!A 104 SER S 0 0 999.9 164.4 -0.1 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 16
80 A 105 PRO P - 0 0 -60.5 152.3 175.9 -124.1 999.9 61.5 0 0.0 0 0.0 0 0.0 0 0.0 7 24
81 A 106 GLU E e - 0 0 -71.1 127.7 173.8 -111.9 27.2 131.5 0 0.0 21 -1.6 0 0.0 0 0.0 8 19
82 A 107 PRO P E E AA - 20 0 -64.0 134.1 -176.9 -171.7 37.5 117.6 0 0.0 0 0.0 0 0.0 0 0.0 9 25
83 A 108 ARG R E E AA - 19 0 -132.4 144.3 174.4 -123.1 22.1 163.4 19 -3.4 19 -2.7 0 0.0 0 0.0 8 25
84 A 109 LEU L E E AA - 18 0 -87.7 133.7 -173.6 -177.9 32.3 139.3 0 0.0 0 0.0 0 0.0 0 0.0 7 31
85 A 110 PHE F e - 0 0 -130.2 152.7 170.2 -116.2 28.4 154.1 17 -2.1 0 0.0 0 0.0 0 0.0 10 30
86 A 111 THR T h > T - 0 0 -75.5 161.0 174.3 -101.7 42.8 119.9 0 0.0 90 -2.5 0 0.0 0 0.0 10 31
87 A 112 PRO P H H > TS+ 0 0 -48.2 -50.1 176.5 49.4 124.1 17.5 0 0.0 91 -2.6 0 0.0 0 0.0 13 38
88 A 113 GLU E H H > TS+ 0 0 -57.6 -47.3 178.0 45.3 112.7 22.1 0 0.0 92 -1.5 0 0.0 0 0.0 9 33
89 A 114 GLU E H H > TS+ 0 0 -65.6 -36.7 -179.9 51.3 112.4 27.1 0 0.0 93 -2.0 0 0.0 0 0.0 8 34
90 A 115 PHE F H H X TS+ 0 0 -65.7 -42.7 -176.7 48.9 111.0 24.9 86 -2.5 94 -2.2 0 0.0 0 0.0 11 50
91 A 116 PHE F H H X TS+ 0 0 -76.8 -15.5 170.6 57.9 104.8 40.2 87 -2.6 95 -2.6 0 0.0 0 0.0 10 53
92 A 117 ARG R H H X TS+ 0 0 -73.0 -44.8 176.3 46.2 108.4 18.7 88 -1.5 96 -2.1 0 0.0 0 0.0 8 37
93 A 118 ILE I H H X TS+ 0 0 -64.1 -37.9 172.1 51.8 113.3 27.2 89 -2.0 97 -2.4 0 0.0 0 0.0 8 50
94 A 119 PHE F H H X TS+ 0 0 -60.2 -53.8 -179.4 44.0 111.2 14.5 90 -2.2 98 -2.1 0 0.0 0 0.0 9 60
95 A 120 ASN N H H X TS+ 0 0 -62.8 -29.5 177.1 51.4 115.5 29.5 91 -2.6 99 -2.2 0 0.0 0 0.0 9 40
96 A 121 ARG R H H X TS+ 0 0 -72.4 -41.6 171.4 47.7 109.2 30.2 92 -2.1 100 -2.0 0 0.0 0 0.0 8 42
97 A 122 SER S H H < TS+ 0 0 -64.0 -34.1 -179.7 50.9 113.3 31.3 93 -2.4 0 0.0 0 0.0 0 0.0 10 51
98 A 123 ILE I H H < > TS+ 0 0 -70.3 -44.2 -176.6 46.6 111.0 19.9 94 -2.1 101 -1.3 0 0.0 0 0.0 9 43
99 A 124 ASP D H H X > TS+ 0 0 -69.6 -28.3 -179.1 77.4 94.2 30.5 95 -2.2 103 -1.6 0 0.0 102 -1.5 8 31
100 A 125 ALA A T h < 3 TS+ 0 0 -63.0 -3.7 172.4 56.8 90.3 63.3 96 -2.0 0 0.0 0 0.0 0 0.0 10 37
101 A 126 PHE F T T 4 < TS+ 0 0 -93.1 -34.1 173.9 47.5 105.9 40.6 98 -1.3 0 0.0 0 0.0 0 0.0 7 34
102 A 127 LYS K T T 4 < TS+ 0 0 -62.2 -61.0 173.1 47.8 114.4 12.2 99 -1.5 104 -2.0 0 0.0 0 0.0 6 22
103 A 128 ASP D S t < TS+ 0 0 -77.5 62.2 -179.0 155.6 84.8 112.2 99 -1.6 0 0.0 0 0.0 0 0.0 6 20
104 A 129 PHE F + 0 0 -99.3 130.3 176.1 176.8 15.7 141.9 102 -2.0 0 0.0 0 0.0 0 0.0 7 26
105 A 130 VAL V - 0 0 -131.6 149.9 179.8 -78.8 39.2 168.0 0 0.0 0 0.0 0 0.0 0 0.0 6 20
106 A 131 VAL V - 0 0 -49.6 132.8 179.1 -139.1 28.1 95.1 0 0.0 0 0.0 0 0.0 0 0.0 6 20
107 A 132 ALA A S S S+ 0 0 -63.6 -31.4 174.5 51.7 106.4 45.6 0 0.0 0 0.0 0 0.0 0 0.0 8 21
108 A 133 SER S S S S+ 0 0 -75.4 -27.7 177.8 51.4 110.9 39.4 0 0.0 0 0.0 0 0.0 0 0.0 5 14
109 A 134 GLU E S S S+ 0 0 -89.3 -2.9 176.0 49.1 110.9 69.7 0 0.0 0 0.0 0 0.0 0 0.0 6 15
110 A 135 THR T S S S- 0 0 -103.1 -116.5 -173.0 -68.8 100.5 71.1 0 0.0 0 0.0 0 0.0 0 0.0 8 20
111 A 136 SER S - 0 0 -136.7 168.7 172.5 -90.7 44.9 143.1 0 0.0 0 0.0 0 0.0 0 0.0 8 21
112 A 137 ASP D - 0 0 -66.0 -164.0 -175.5 -105.7 45.9 80.7 0 0.0 0 0.0 0 0.0 0 0.0 6 19
113 A 138 CYS C S S S+ 0 0 -125.2 27.1 177.3 93.9 83.8 79.2 0 0.0 0 0.0 0 0.0 0 0.0 7 24
114 A 139 VAL V + 0 0 -112.5 142.2 171.4 173.4 37.4 154.8 0 0.0 0 0.0 0 0.0 0 0.0 5 19
115 A 140 VAL V 0 0 -101.6 -71.9 -169.6 999.9 999.9 39.9 0 0.0 0 0.0 0 0.0 0 0.0 6 17
116 A 141 SER S 0 0 94.1 999.9 999.9 999.9 999.9 72.0 0 0.0 0 0.0 0 0.0 0 0.0 2 11
1scfA.pdb
1SCF HORMONE/GROWTH FACTOR MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHHHHHS TT EEE S GGGTS HHHHHHHHHHHTTS S SS HHHHHHHHHHHHHHHHHHT EEE HHHHHHHHHHHHHT Kabs/Sand
chirality ++++++++++--+ +---- +--+++++ +++++++++++++--++--++-++++++++++++++++++ -------++++++++++++++ chirality
bends SSSSSSSSSS S S SSSSS SSSSSSSSSSSSS S SS SSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTT TTTTTT TTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >33< >>3<<>33< >>3<< >>>X<<< >33< >33< >>3 3-turns
bridge-2 bridge-2
bridge-1 AAA AAA bridge-1
sheets AAA AAA sheets
4-turns >>>>XXXX<<<< >444< >>>>XXXXX<<<< >>>>XXXXXXXXXXXX<<<< >>>>XXXXXXX<