Secondary structure calculation program - copyright by David Keith Smith, 1989
1iq3A.pdb
1IQ3 ENDOCYTOSIS/EXOCYTOSIS MOL_ID: 1; MOL_ID: 1;
Sequence length - 110
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 GLY G 0 0 999.9 -18.4 -180.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 5
2 A 2 SER S + 0 0 -93.8 -173.8 -180.0 47.2 999.9 105.2 0 0.0 0 0.0 0 0.0 0 0.0 3 5
3 A 3 LEU L S S S- 0 0 44.6 86.0 180.0 -171.8 74.4 21.6 0 0.0 0 0.0 0 0.0 0 0.0 4 6
4 A 4 GLN Q - 0 0 -93.4 -166.2 180.0 -159.4 20.7 98.7 0 0.0 0 0.0 0 0.0 0 0.0 5 7
5 A 5 ASP D + 0 0 -172.2 53.1 -180.0 138.7 36.6 92.0 0 0.0 0 0.0 0 0.0 0 0.0 5 9
6 A 6 ASN N + 0 0 -93.5 28.6 -179.9 89.4 56.3 87.0 0 0.0 0 0.0 0 0.0 0 0.0 4 9
7 A 7 SER S - 0 0 -128.0 136.2 179.9 -167.2 54.5 168.0 0 0.0 9 -0.5 0 0.0 0 0.0 4 8
8 A 8 SER S + 0 0 -124.7 116.2 -179.8 128.8 32.4 161.5 0 0.0 0 0.0 0 0.0 0 0.0 5 8
9 A 9 TYR Y + 0 0 -165.4 72.1 179.9 178.5 26.0 107.7 7 -0.5 0 0.0 0 0.0 0 0.0 4 11
10 A 10 PRO P - 0 0 -58.0 -158.5 180.0 -140.9 17.6 68.4 0 0.0 0 0.0 0 0.0 0 0.0 4 15
11 A 11 ASP D + 0 0 -171.1 141.1 179.9 113.3 47.5 155.1 0 0.0 0 0.0 0 0.0 0 0.0 6 21
12 A 12 GLU E S S S+ 0 0 -172.9 -61.6 180.0 54.0 77.1 86.6 0 0.0 0 0.0 0 0.0 0 0.0 5 20
13 A 13 PRO P S S S- 0 0 -71.9 -0.9 -179.8 -125.3 98.3 61.3 0 0.0 0 0.0 0 0.0 0 0.0 4 15
14 A 14 TRP W - 0 0 63.1 19.5 -179.9 -171.8 41.4 40.4 0 0.0 0 0.0 0 0.0 0 0.0 5 27
15 A 15 ARG R + 0 0 -41.9 147.0 179.7 121.5 24.8 91.3 0 0.0 0 0.0 0 0.0 0 0.0 6 17
16 A 16 ILE I - 0 0 -177.8 -151.6 180.0 -117.6 54.7 153.2 0 0.0 0 0.0 0 0.0 0 0.0 7 18
17 A 17 THR T S S S- 0 0 -176.8 79.4 -180.0 -50.0 76.8 105.3 0 0.0 0 0.0 0 0.0 0 0.0 6 13
18 A 18 GLU E S S S+ 0 0 59.0 13.0 179.5 103.6 114.2 46.6 0 0.0 0 0.0 0 0.0 0 0.0 6 14
19 A 19 GLU E S S S+ 0 0 -95.4 -26.0 179.6 10.6 97.6 42.4 0 0.0 0 0.0 0 0.0 0 0.0 7 15
20 A 20 GLN Q S h > TS+ 0 0 -121.4 -30.9 179.8 65.3 120.6 51.0 0 0.0 24 -1.8 0 0.0 0 0.0 8 28
21 A 21 ARG R H H > TS+ 0 0 -64.1 -31.1 179.6 58.2 98.9 30.8 0 0.0 25 -2.0 0 0.0 0 0.0 10 29
22 A 22 GLU E H H > TS+ 0 0 -64.3 -48.9 179.7 39.3 111.1 15.7 0 0.0 26 -2.0 0 0.0 0 0.0 8 25
23 A 23 TYR Y H H > TS+ 0 0 -72.0 -23.4 179.7 58.8 112.9 38.4 0 0.0 27 -0.9 0 0.0 0 0.0 8 29
24 A 24 TYR Y H H X TS+ 0 0 -73.4 -35.8 179.9 39.9 110.9 28.2 20 -1.8 28 -1.5 0 0.0 0 0.0 11 39
25 A 25 VAL V H H X TS+ 0 0 -81.6 -33.5 -180.0 64.3 106.0 32.3 21 -2.0 29 -1.7 0 0.0 0 0.0 11 34
26 A 26 ASN N H H X TS+ 0 0 -59.8 -28.3 179.8 41.1 110.0 33.4 22 -2.0 30 -1.0 0 0.0 0 0.0 8 30
27 A 27 GLN Q H H X > TS+ 0 0 -83.9 -61.3 179.5 46.3 114.1 17.0 23 -0.9 31 -0.9 0 0.0 30 -0.7 8 42
28 A 28 PHE F H H X 3 TS+ 0 0 -53.0 -20.0 -180.0 56.0 113.9 39.7 24 -1.5 32 -1.5 0 0.0 0 0.0 11 44
29 A 29 ARG R H H < 3 TS+ 0 0 -81.5 -39.0 179.7 73.5 86.3 27.6 25 -1.7 0 0.0 0 0.0 0 0.0 11 32
30 A 30 SER S H H < < TS+ 0 0 -43.7 -31.3 179.5 25.2 117.1 32.2 26 -1.0 0 0.0 27 -0.7 0 0.0 7 26
31 A 31 LEU L H H < TS+ 0 0 -104.0 -30.6 179.9 68.9 116.4 43.1 27 -0.9 0 0.0 0 0.0 0 0.0 7 31
32 A 32 GLN Q h < T - 0 0 -94.8 102.7 -179.9 -169.7 61.1 141.0 28 -1.5 0 0.0 0 0.0 0 0.0 11 32
33 A 33 PRO P + 0 0 -57.2 -40.1 179.9 81.2 67.5 27.7 0 0.0 0 0.0 0 0.0 0 0.0 6 19
34 A 34 ASP D S S S- 0 0 -67.2 152.4 180.0 -114.9 94.1 109.2 0 0.0 0 0.0 0 0.0 0 0.0 6 20
35 A 35 PRO P S S S- 0 0 -53.2 -51.8 179.8 -16.5 97.7 19.9 0 0.0 0 0.0 0 0.0 0 0.0 6 25
36 A 36 SER S S S S+ 0 0 -119.7 -81.3 179.7 124.6 90.4 53.8 0 0.0 0 0.0 0 0.0 0 0.0 9 27
37 A 37 SER S S e S- 0 0 47.7 -154.1 -179.7 -75.3 70.1 93.0 0 0.0 75 -2.2 0 0.0 0 0.0 8 28
38 A 38 PHE F E E AA - 74 0 -140.5 144.9 179.5 -131.2 34.2 175.7 0 0.0 0 0.0 0 0.0 0 0.0 9 38
39 A 39 ILE I E E AA - 73 0 -91.9 160.3 -179.8 -106.2 31.3 123.7 73 -1.8 73 -2.2 0 0.0 0 0.0 13 42
40 A 40 SER S E E >AA T - 72 0 -73.8 -177.9 179.8 -122.8 21.3 94.9 0 0.0 44 -0.6 0 0.0 0 0.0 9 36
41 A 41 GLY G H H > TS+ 0 0 -94.9 -48.1 179.5 40.2 109.4 29.1 71 -1.3 45 -2.1 0 0.0 0 0.0 11 37
42 A 42 SER S H H 4 TS+ 0 0 -71.9 -24.0 179.7 56.1 115.1 37.6 0 0.0 0 0.0 0 0.0 0 0.0 7 29
43 A 43 VAL V H H > TS+ 0 0 -73.8 -44.5 -179.9 38.2 112.8 21.2 0 0.0 47 -1.0 0 0.0 0 0.0 8 32
44 A 44 ALA A H H X TS+ 0 0 -75.8 -32.4 179.4 55.2 114.0 30.8 40 -0.6 48 -2.0 0 0.0 0 0.0 9 49
45 A 45 LYS K H H < TS+ 0 0 -74.1 -10.2 -179.9 65.4 100.5 49.9 41 -2.1 0 0.0 0 0.0 0 0.0 10 41
46 A 46 ASN N H H 4 TS+ 0 0 -76.6 -53.0 -179.6 20.0 116.7 16.4 0 0.0 0 0.0 0 0.0 0 0.0 7 33
47 A 47 PHE F H H < TS+ 0 0 -88.4 -26.1 179.7 89.0 101.5 39.6 43 -1.0 0 0.0 0 0.0 0 0.0 7 32
48 A 48 PHE F h < T + 0 0 -41.7 -26.7 179.9 92.9 66.9 36.9 44 -2.0 50 -2.1 0 0.0 0 0.0 8 48
49 A 49 THR T + 0 0 -71.9 83.0 180.0 102.2 54.1 116.9 0 0.0 0 0.0 0 0.0 0 0.0 9 34
50 A 50 LYS K S S S+ 0 0 -159.6 54.0 -179.9 32.6 76.8 99.5 48 -2.1 0 0.0 0 0.0 0 0.0 6 30
51 A 51 SER S S S S+ 0 0 -173.2 -48.6 -180.0 75.1 92.1 81.2 0 0.0 0 0.0 0 0.0 0 0.0 8 30
52 A 52 LYS K S S S- 0 0 -56.5 -15.5 -179.9 -137.5 92.1 44.0 0 0.0 0 0.0 0 0.0 0 0.0 12 31
53 A 53 LEU L - 0 0 57.4 104.7 -180.0 -22.0 59.1 30.0 0 0.0 0 0.0 0 0.0 0 0.0 6 20
54 A 54 SER S S S S+ 0 0 52.0 179.6 -179.9 79.1 108.0 82.4 0 0.0 0 0.0 0 0.0 0 0.0 4 16
55 A 55 ILE I S S S- 0 0 48.1 95.0 179.9 -115.5 87.9 24.8 0 0.0 57 -1.2 0 0.0 0 0.0 5 14
56 A 56 PRO P + 0 0 -60.7 93.7 -179.9 158.8 52.3 113.3 0 0.0 0 0.0 0 0.0 0 0.0 8 20
57 A 57 GLU E h > > T + 0 0 -107.9 26.4 -180.0 110.6 36.3 86.9 55 -1.2 61 -0.7 0 0.0 60 -0.7 7 30
58 A 58 LEU L H H > 3 T + 0 0 -78.9 2.3 180.0 90.6 53.5 61.6 0 0.0 62 -2.2 0 0.0 0 0.0 10 37
59 A 59 SER S H H > 3 TS+ 0 0 -64.7 -41.1 179.8 33.6 95.8 22.7 0 0.0 63 -1.5 0 0.0 0 0.0 7 33
60 A 60 TYR Y H H > < TS+ 0 0 -84.6 -28.2 179.5 60.5 114.0 36.5 57 -0.7 64 -1.2 0 0.0 0 0.0 8 36
61 A 61 ILE I H H X TS+ 0 0 -64.4 -43.7 180.0 35.1 114.2 20.5 57 -0.7 65 -1.2 0 0.0 0 0.0 11 46
62 A 62 TRP W H H X TS+ 0 0 -77.9 -41.0 179.8 66.4 107.2 25.2 58 -2.2 66 -2.0 0 0.0 0 0.0 10 47
63 A 63 GLU E H H < TS+ 0 0 -49.7 -31.0 179.8 39.1 110.9 32.0 59 -1.5 0 0.0 0 0.0 0 0.0 8 35
64 A 64 LEU L H H < TS+ 0 0 -89.9 -30.5 179.9 56.9 112.3 37.0 60 -1.2 0 0.0 0 0.0 0 0.0 9 38
65 A 65 SER S H H < TS+ 0 0 -64.3 -61.0 179.9 59.0 100.7 5.8 61 -1.2 0 0.0 0 0.0 0 0.0 11 45
66 A 66 ASP D h < T + 0 0 -67.7 148.0 179.9 174.4 57.1 111.2 62 -2.0 0 0.0 0 0.0 0 0.0 13 38
67 A 67 ALA A S S S+ 0 0 -145.4 32.6 179.9 34.9 73.6 89.2 0 0.0 0 0.0 0 0.0 0 0.0 7 29
68 A 68 ASP D S S S- 0 0 -173.2 27.4 -179.3 -110.7 99.7 80.8 0 0.0 0 0.0 0 0.0 0 0.0 5 17
69 A 69 CYS C S S S+ 0 0 37.3 32.4 -179.9 135.5 77.2 36.5 0 0.0 0 0.0 0 0.0 0 0.0 6 20
70 A 70 ASP D - 0 0 -85.2 -2.4 -180.0 -134.8 64.3 59.3 0 0.0 0 0.0 0 0.0 0 0.0 8 23
71 A 71 GLY G S e S+ 0 0 55.3 24.4 180.0 86.0 77.9 36.3 0 0.0 41 -1.3 0 0.0 0 0.0 9 28
72 A 72 ALA A E E AA - 40 0 -149.6 160.5 -179.7 -160.9 58.6 168.9 0 0.0 0 0.0 0 0.0 0 0.0 10 34
73 A 73 LEU L E E AA - 39 0 -149.6 105.3 179.4 -135.4 19.4 143.3 39 -2.2 39 -1.8 0 0.0 0 0.0 14 43
74 A 74 THR T E E >AA > T - 38 0 -47.9 170.1 179.6 -94.3 42.4 87.2 0 0.0 78 -1.8 0 0.0 77 -0.7 10 39
75 A 75 LEU L H H > 3 TS+ 0 0 -57.4 -43.9 178.8 56.6 130.8 19.0 37 -2.2 79 -1.8 0 0.0 0 0.0 12 40
76 A 76 PRO P H H > 3 TS+ 0 0 -56.3 -29.9 179.8 52.4 105.9 34.3 0 0.0 80 -0.5 0 0.0 0 0.0 7 37
77 A 77 GLU E H H > X TS+ 0 0 -75.8 -34.6 179.6 51.8 106.1 29.3 74 -0.7 81 -1.3 0 0.0 80 -0.8 10 42
78 A 78 PHE F H H X 3 TS+ 0 0 -72.0 -24.7 179.9 77.0 91.9 37.3 74 -1.8 82 -2.0 0 0.0 0 0.0 12 53
79 A 79 CYS C H H X 3 TS+ 0 0 -53.8 -34.3 179.8 33.6 106.0 29.2 75 -1.8 83 -0.6 0 0.0 0 0.0 11 47
80 A 80 ALA A H H X < TS+ 0 0 -92.0 -29.7 179.9 67.1 109.1 38.3 77 -0.8 84 -1.3 76 -0.5 0 0.0 9 44
81 A 81 ALA A H H X > TS+ 0 0 -55.2 -56.1 179.9 41.1 105.7 13.1 77 -1.3 85 -1.3 0 0.0 84 -1.1 12 56
82 A 82 PHE F H H X 3 TS+ 0 0 -61.4 -35.0 179.8 68.2 104.6 27.7 78 -2.0 86 -2.3 0 0.0 0 0.0 9 50
83 A 83 HIS H H H X 3 TS+ 0 0 -54.1 -31.3 -179.9 45.4 103.4 31.6 79 -0.6 87 -0.7 0 0.0 0 0.0 8 53
84 A 84 LEU L H H < < TS+ 0 0 -82.6 -31.8 179.9 56.6 107.7 33.5 80 -1.3 0 0.0 81 -1.1 0 0.0 9 45
85 A 85 ILE I H H X > TS+ 0 0 -66.3 -41.6 -179.9 54.1 103.2 22.4 81 -1.3 88 -1.5 0 0.0 89 -1.0 12 48
86 A 86 VAL V H H X 3 TS+ 0 0 -62.2 -30.9 -180.0 75.4 91.0 31.6 82 -2.3 90 -1.6 0 0.0 0 0.0 9 37
87 A 87 ALA A H H X 3>TS+ 0 0 -51.6 -28.1 -179.9 49.0 97.5 34.2 83 -0.7 92 -2.1 0 0.0 91 -1.1 10 35
88 A 88 ARG R H H 4 <5TS+ 0 0 -78.4 -53.0 180.0 39.6 114.5 16.3 85 -1.5 0 0.0 0 0.0 0 0.0 10 32
89 A 89 LYS K H H < 5TS+ 0 0 -73.7 -2.9 179.9 56.1 116.8 56.1 85 -1.0 0 0.0 0 0.0 0 0.0 8 23
90 A 90 ASN N H H < 5TS- 0 0 -97.7 -30.4 -180.0 -121.2 108.1 40.0 86 -1.6 0 0.0 0 0.0 0 0.0 6 19
91 A 91 GLY G T h < 5T + 0 0 95.0 29.9 -179.9 158.4 53.0 39.3 87 -1.1 0 0.0 0 0.0 0 0.0 6 16
92 A 92 TYR Y t 5555< 5-turns
3-turns >33< >33< >33X33<>33<>33< 3-turns
bridge-2 bridge-2
bridge-1 AAA AAA bridge-1
sheets AAA AAA sheets
4-turns >>>>XXXXX<<<< >>4>X<4<< >>>>XX<<<< >>>>XXXXXX