Secondary structure calculation program - copyright by David Keith Smith, 1989
1atzA.pdb
1ATZ COLLAGEN-BINDING MOL_ID: 1; MOL_ID: 1;
Sequence length - 184
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 925 GLN Q 0 0 999.9 174.2 179.7 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 6 25
2 A 926 PRO P e - 0 0 -60.7 139.5 -179.5 -170.6 999.9 112.0 0 0.0 106 -2.8 0 0.0 0 0.0 10 31
3 A 927 LEU L E E Aab - 106 41 -138.3 123.9 176.3 -163.4 17.9 170.5 40 -2.0 42 -2.4 0 0.0 5 -0.6 11 45
4 A 928 ASP D E E Aab - 107 42 -103.2 117.4 -179.9 -177.8 24.6 161.0 106 -3.2 108 -1.8 0 0.0 0 0.0 15 60
5 A 929 VAL V E E Aab - 108 43 -126.0 133.2 177.6 -158.0 18.3 167.7 42 -2.9 44 -2.4 3 -0.6 0 0.0 13 73
6 A 930 ILE I E E Aab - 109 44 -104.9 131.1 174.6 -154.1 7.0 158.1 108 -2.5 110 -2.8 0 0.0 8 -0.8 13 70
7 A 931 LEU L E E Aab - 110 45 -102.2 106.0 -177.9 -161.8 15.5 159.8 44 -2.6 46 -2.4 0 0.0 9 -0.9 12 73
8 A 932 LEU L E E Aab - 111 46 -95.5 98.6 -178.4 -158.1 9.1 144.5 110 -3.4 112 -2.5 6 -0.8 0 0.0 13 79
9 A 933 LEU L E E A b - 0 47 -79.0 149.4 178.6 -117.9 20.1 117.5 46 -3.1 48 -2.2 7 -0.9 11 -1.0 13 78
10 A 934 ASP D E E A b + 0 48 -87.3 104.6 179.5 168.5 37.7 138.1 0 0.0 0 0.0 0 0.0 0 0.0 14 71
11 A 935 GLY G e + 0 0 -104.8 23.7 179.1 127.3 31.5 87.8 48 -1.9 78 -1.9 9 -1.0 0 0.0 12 59
12 A 936 SER S S S S- 0 0 -71.9 172.4 180.0 -114.5 71.3 101.8 0 0.0 0 0.0 0 0.0 0 0.0 14 51
13 A 937 SER S S S S+ 0 0 -93.9 17.5 -178.2 111.3 83.3 78.3 79 -2.3 0 0.0 0 0.0 0 0.0 10 37
14 A 938 SER S S S S+ 0 0 -58.6 -47.3 -179.0 18.8 82.1 23.3 0 0.0 0 0.0 0 0.0 0 0.0 8 40
15 A 939 PHE F S S S- 0 0 -120.6 170.1 -180.0 -70.0 100.4 135.3 0 0.0 0 0.0 0 0.0 0 0.0 7 37
16 A 940 PRO P h > > T - 0 0 -56.5 158.3 -179.4 -105.2 49.9 97.6 0 0.0 19 -2.2 0 0.0 20 -0.6 7 29
17 A 941 ALA A H H > 3 TS+ 0 0 -57.7 -26.5 179.3 74.1 114.8 43.4 0 0.0 21 -1.5 0 0.0 0 0.0 8 30
18 A 942 SER S H H > 3 TS+ 0 0 -59.9 -25.3 178.3 61.3 88.7 38.5 0 0.0 22 -1.5 0 0.0 0 0.0 6 31
19 A 943 TYR Y H H > < TS+ 0 0 -64.2 -46.6 178.1 49.4 102.8 22.1 16 -2.2 23 -1.7 0 0.0 0 0.0 9 45
20 A 944 PHE F H H X TS+ 0 0 -60.5 -34.6 178.1 59.7 105.0 33.0 16 -0.6 24 -2.2 0 0.0 0 0.0 13 52
21 A 945 ASP D H H X TS+ 0 0 -61.3 -40.3 179.2 48.9 104.7 24.8 17 -1.5 25 -2.0 0 0.0 0 0.0 8 45
22 A 946 GLU E H H X TS+ 0 0 -66.7 -34.6 178.9 52.6 109.1 29.2 18 -1.5 26 -2.2 0 0.0 0 0.0 12 49
23 A 947 MET M H H X TS+ 0 0 -67.3 -36.7 177.5 52.6 107.0 29.8 19 -1.7 27 -2.4 0 0.0 0 0.0 12 63
24 A 948 LYS K H H X TS+ 0 0 -65.0 -40.3 177.8 49.7 109.1 24.6 20 -2.2 28 -2.6 0 0.0 0 0.0 11 55
25 A 949 SER S H H X TS+ 0 0 -64.7 -39.1 178.3 52.3 109.0 25.1 21 -2.0 29 -2.8 0 0.0 0 0.0 9 49
26 A 950 PHE F H H X TS+ 0 0 -59.8 -47.7 -179.6 47.3 111.0 20.6 22 -2.2 30 -2.6 0 0.0 0 0.0 13 60
27 A 951 ALA A H H X TS+ 0 0 -61.9 -43.3 178.7 48.2 113.3 24.1 23 -2.4 31 -2.4 0 0.0 0 0.0 11 64
28 A 952 LYS K H H X TS+ 0 0 -64.9 -42.5 179.7 47.6 112.4 23.7 24 -2.6 32 -2.6 0 0.0 0 0.0 10 52
29 A 953 ALA A H H X TS+ 0 0 -65.5 -41.6 179.4 51.5 111.3 22.4 25 -2.8 33 -1.9 0 0.0 0 0.0 11 46
30 A 954 PHE F H H X TS+ 0 0 -59.0 -49.6 179.7 47.0 111.9 16.8 26 -2.6 34 -2.3 0 0.0 0 0.0 10 60
31 A 955 ILE I H H < TS+ 0 0 -60.1 -44.6 179.7 51.5 110.6 25.3 27 -2.4 0 0.0 0 0.0 0 0.0 12 58
32 A 956 SER S H H < TS+ 0 0 -63.3 -31.8 -179.1 39.7 117.1 33.6 28 -2.6 0 0.0 0 0.0 0 0.0 8 42
33 A 957 LYS K H H < TS+ 0 0 -89.5 -24.5 -179.1 100.3 94.4 43.7 29 -1.9 0 0.0 0 0.0 0 0.0 6 40
34 A 958 ALA A S h < TS- 0 0 -63.2 144.9 178.2 -120.5 80.7 106.0 30 -2.3 36 -1.6 0 0.0 0 0.0 8 47
35 A 959 ASN N - 0 0 -87.5 83.7 -177.3 -166.2 43.6 133.5 0 0.0 41 -2.7 0 0.0 0 0.0 6 35
36 A 960 ILE I B B a + 41 0 -78.6 141.5 -179.8 104.8 27.9 118.8 34 -1.6 0 0.0 0 0.0 0 0.0 10 45
37 A 961 GLY G S t > TS- 0 0 161.3 160.1 -179.6 -74.9 76.2 139.3 41 -1.7 40 -2.4 0 0.0 0 0.0 8 32
38 A 962 PRO P T T 3 TS+ 0 0 -43.8 -41.4 179.9 25.5 129.6 44.4 0 0.0 0 0.0 0 0.0 0 0.0 6 30
39 A 963 ARG R T T 3 TS+ 0 0 -111.7 16.2 -177.6 54.5 126.4 80.6 0 0.0 0 0.0 0 0.0 0 0.0 6 26
40 A 964 LEU L S e < TS- 0 0 -119.1 -131.1 -179.9 -22.8 104.9 83.3 37 -2.4 3 -2.0 0 0.0 0 0.0 10 37
41 A 965 THR T E E Aba - 3 36 -93.0 140.8 176.7 -172.3 46.1 132.5 35 -2.7 37 -1.7 0 0.0 0 0.0 13 47
42 A 966 GLN Q E E Ab - 4 0 -127.9 125.6 -178.5 -163.5 9.8 175.7 3 -2.4 5 -2.9 0 0.0 0 0.0 12 56
43 A 967 VAL V E E Ab - 5 0 -116.4 130.8 176.0 -177.0 8.2 159.5 0 0.0 0 0.0 0 0.0 0 0.0 11 66
44 A 968 SER S E E Ab - 6 0 -119.2 156.4 -178.9 -144.0 15.3 153.0 5 -2.4 7 -2.6 0 0.0 0 0.0 13 72
45 A 969 VAL V E E AbC + 7 56 -128.9 123.1 179.7 169.9 21.7 168.9 56 -2.1 56 -2.2 0 0.0 55 -2.1 14 69
46 A 970 LEU L E E AbC - 8 54 -120.4 166.2 175.9 -154.4 15.1 139.2 7 -2.4 9 -3.1 0 0.0 0 0.0 15 65
47 A 971 GLN Q E E AbC - 9 53 -142.7 147.3 179.8 -152.1 8.0 172.6 53 -1.9 53 -2.4 0 0.0 0 0.0 14 66
48 A 972 TYR Y E E AbC + 10 52 -122.8 158.4 179.5 110.1 38.3 153.6 9 -2.2 11 -1.9 0 0.0 0 0.0 18 59
49 A 973 GLY G S e S- 0 0 -178.7 -121.8 178.1 -5.4 95.6 130.8 51 -0.6 82 -0.7 0 0.0 0 0.0 16 48
50 A 974 SER S S S S+ 0 0 -59.2 -34.7 -177.5 4.3 144.0 29.3 78 -2.0 0 0.0 0 0.0 0 0.0 11 33
51 A 975 ILE I S e S- 0 0 -145.4 162.5 178.5 -110.2 81.1 155.7 0 0.0 49 -0.6 0 0.0 0 0.0 8 34
52 A 976 THR T E E AC - 48 0 -102.0 127.1 -179.8 -173.8 37.5 153.3 0 0.0 0 0.0 0 0.0 0 0.0 10 49
53 A 977 THR T E E AC - 47 0 -125.4 149.9 -179.2 -131.4 24.2 161.3 47 -2.4 47 -1.9 0 0.0 55 -0.7 7 45
54 A 978 ILE I E E AC + 46 0 -99.6 111.8 -179.3 163.9 30.4 149.8 0 0.0 0 0.0 0 0.0 0 0.0 9 51
55 A 979 ASP D E E A* S+ 0 0 -96.6 -35.6 177.2 29.4 78.3 41.2 45 -2.1 0 0.0 53 -0.7 0 0.0 11 45
56 A 980 VAL V E E AC S- 45 0 -126.1 97.4 -178.9 -167.3 88.9 157.2 45 -2.2 45 -2.1 0 0.0 0 0.0 11 55
57 A 981 PRO P t > T - 0 0 -82.3 172.1 176.1 -95.0 25.7 105.5 0 0.0 60 -0.5 0 0.0 0 0.0 9 51
58 A 982 TRP W T T 3 TS+ 0 0 -71.0 174.3 175.1 49.6 103.2 104.4 0 0.0 0 0.0 0 0.0 0 0.0 10 53
59 A 983 ASN N T T 3 TS+ 0 0 70.9 13.8 178.7 137.1 76.1 53.1 0 0.0 0 0.0 0 0.0 0 0.0 7 37
60 A 984 VAL V t < T - 0 0 -94.6 148.5 179.7 -88.2 68.4 131.6 57 -0.5 0 0.0 0 0.0 0 0.0 8 35
61 A 985 VAL V - 0 0 -52.7 124.6 -179.5 -124.0 41.7 109.9 0 0.0 63 -2.3 0 0.0 0 0.0 6 29
62 A 986 PRO P + 0 0 -71.6 52.5 178.0 130.4 66.0 104.9 0 0.0 64 -0.6 0 0.0 0 0.0 8 37
63 A 987 GLU E h > > T - 0 0 -106.9 118.2 -177.8 -144.0 54.2 161.2 61 -2.3 67 -2.5 0 0.0 66 -0.8 6 30
64 A 988 LYS K H H > 3 TS+ 0 0 -52.0 -42.9 178.5 52.6 98.8 29.1 62 -0.6 68 -3.3 0 0.0 0 0.0 8 35
65 A 989 ALA A H H > 3 TS+ 0 0 -60.4 -35.1 179.8 49.2 112.1 31.2 0 0.0 69 -1.7 0 0.0 0 0.0 6 27
66 A 990 HIS H H H > < TS+ 0 0 -68.7 -50.9 178.5 45.0 112.7 17.7 63 -0.8 70 -1.3 0 0.0 0 0.0 9 30
67 A 991 LEU L H H X > TS+ 0 0 -59.2 -47.0 179.2 51.3 113.1 20.6 63 -2.5 71 -1.4 0 0.0 70 -0.7 13 43
68 A 992 LEU L H H X 3 TS+ 0 0 -60.0 -36.2 179.9 56.4 105.5 28.5 64 -3.3 72 -2.7 0 0.0 0 0.0 11 40
69 A 993 SER S H H X 3 TS+ 0 0 -66.6 -29.4 179.0 53.4 104.0 36.5 65 -1.7 73 -1.2 0 0.0 0 0.0 8 31
70 A 994 LEU L H H < < TS+ 0 0 -74.5 -30.6 177.1 46.0 111.0 35.2 66 -1.3 0 0.0 67 -0.7 0 0.0 10 41
71 A 995 VAL V H H < > TS+ 0 0 -74.3 -44.1 -178.8 59.8 106.9 21.8 67 -1.4 74 -1.8 0 0.0 0 0.0 13 47
72 A 996 ASP D H H < 3 TS+ 0 0 -54.1 -34.1 179.8 52.6 101.6 36.8 68 -2.7 0 0.0 0 0.0 0 0.0 7 36
73 A 997 VAL V T h < 3 TS+ 0 0 -80.4 -10.3 -179.7 114.1 84.4 51.2 69 -1.2 0 0.0 0 0.0 0 0.0 6 30
74 A 998 MET M t < T - 0 0 -62.5 141.5 176.2 -173.0 44.2 106.0 71 -1.8 0 0.0 0 0.0 0 0.0 8 42
75 A 999 GLN Q - 0 0 -134.3 143.2 -179.2 -92.0 36.8 169.7 0 0.0 0 0.0 0 0.0 0 0.0 5 42
76 A1000 ARG R - 0 0 -60.0 124.1 179.6 -160.0 28.3 113.6 0 0.0 0 0.0 0 0.0 0 0.0 9 44
77 A1001 GLU E - 0 0 -73.1 -34.7 178.5 -159.5 31.2 40.5 0 0.0 0 0.0 0 0.0 0 0.0 10 38
78 A1002 GLY G + 0 0 82.4 -178.3 179.7 114.1 35.0 93.1 11 -1.9 50 -2.0 0 0.0 0 0.0 10 38
79 A1003 GLY G - 0 0 105.7 -178.2 -180.0 -31.9 68.1 119.9 0 0.0 13 -2.3 0 0.0 0 0.0 10 34
80 A1004 PRO P - 0 0 -70.8 165.7 179.9 -97.0 66.3 101.7 0 0.0 82 -1.3 0 0.0 0 0.0 10 36
81 A1005 SER S + 0 0 -88.7 86.7 178.4 173.6 42.8 132.9 0 0.0 118 -2.8 0 0.0 83 -1.4 15 48
82 A1006 GLN Q h > T + 0 0 -89.8 74.1 -176.4 162.2 12.7 127.2 80 -1.3 86 -1.9 49 -0.7 0 0.0 13 48
83 A1007 ILE I H H > T + 0 0 -67.2 -39.7 179.8 51.9 64.8 29.4 81 -1.4 87 -2.7 0 0.0 0 0.0 12 65
84 A1008 GLY G H H > TS+ 0 0 -61.8 -52.1 179.9 43.1 113.8 12.9 0 0.0 88 -2.7 0 0.0 0 0.0 14 55
85 A1009 ASP D H H > TS+ 0 0 -61.9 -36.8 179.0 54.2 113.5 28.3 0 0.0 89 -2.2 0 0.0 0 0.0 10 47
86 A1010 ALA A H H X TS+ 0 0 -63.0 -49.0 178.3 44.3 110.5 21.8 82 -1.9 90 -2.3 0 0.0 0 0.0 12 61
87 A1011 LEU L H H X TS+ 0 0 -62.9 -42.3 179.3 54.1 111.8 24.0 83 -2.7 91 -2.8 0 0.0 0 0.0 13 70
88 A1012 GLY G H H X TS+ 0 0 -57.8 -41.2 178.7 49.7 108.4 24.9 84 -2.7 92 -2.1 0 0.0 0 0.0 13 55
89 A1013 PHE F H H X TS+ 0 0 -62.8 -46.7 179.4 49.3 110.8 21.2 85 -2.2 93 -2.4 0 0.0 0 0.0 9 56
90 A1014 ALA A H H X TS+ 0 0 -60.8 -42.4 179.5 54.9 107.5 24.8 86 -2.3 94 -2.2 0 0.0 0 0.0 12 64
91 A1015 VAL V H H X TS+ 0 0 -57.8 -46.0 178.6 45.6 110.4 19.8 87 -2.8 95 -2.1 0 0.0 0 0.0 14 60
92 A1016 ARG R H H X TS+ 0 0 -63.0 -40.7 -179.5 54.6 110.2 24.8 88 -2.1 96 -2.8 0 0.0 0 0.0 8 46
93 A1017 TYR Y H H < TS+ 0 0 -62.7 -33.3 178.8 42.9 113.3 30.4 89 -2.4 0 0.0 0 0.0 0 0.0 8 54
94 A1018 LEU L H H < TS+ 0 0 -80.7 -31.6 -173.9 21.6 130.0 35.1 90 -2.2 0 0.0 0 0.0 0 0.0 15 56
95 A1019 THR T H H < TS+ 0 0 -123.3 1.4 -179.5 89.7 91.7 63.9 91 -2.1 0 0.0 0 0.0 0 0.0 11 41
96 A1020 SER S S h < TS- 0 0 -96.6 47.9 179.3 -90.7 106.5 103.3 92 -2.8 0 0.0 0 0.0 0 0.0 6 30
97 A1021 GLU E - 0 0 50.3 45.2 -178.9 -178.4 66.2 27.1 0 0.0 0 0.0 0 0.0 0 0.0 8 25
98 A1022 MET M t > T - 0 0 -77.9 141.6 179.4 -95.7 35.4 121.2 0 0.0 101 -2.0 0 0.0 0 0.0 8 30
99 A1023 HIS H T T 3 TS+ 0 0 -56.7 130.4 179.7 15.8 111.0 107.9 0 0.0 0 0.0 0 0.0 0 0.0 6 26
100 A1024 GLY G T T 3 TS+ 0 0 92.0 -21.8 179.2 113.6 99.6 81.7 0 0.0 0 0.0 0 0.0 0 0.0 7 38
101 A1025 ALA A t < T - 0 0 -80.7 156.8 -179.1 -134.4 62.4 120.0 98 -2.0 0 0.0 0 0.0 0 0.0 11 43
102 A1026 ARG R t > T - 0 0 -117.7 117.1 -179.5 -155.3 5.0 162.1 0 0.0 105 -1.7 0 0.0 0 0.0 7 39
103 A1027 PRO P T T 3 TS+ 0 0 -62.0 -23.3 179.4 51.3 95.5 41.9 0 0.0 0 0.0 0 0.0 0 0.0 6 32
104 A1028 GLY G T T 3 TS+ 0 0 -93.6 -0.5 -179.8 97.4 91.5 63.8 0 0.0 0 0.0 0 0.0 0 0.0 5 27
105 A1029 ALA A S t < TS- 0 0 -86.5 154.7 176.7 -101.2 84.9 120.2 102 -1.7 0 0.0 0 0.0 0 0.0 9 40
106 A1030 SER S E E Aa - 3 0 -67.8 153.6 -177.7 -136.8 40.2 117.1 2 -2.8 4 -3.2 0 0.0 0 0.0 10 42
107 A1031 LYS K E E Aad + 4 133 -122.2 131.1 -179.2 161.9 30.2 165.7 132 -0.6 134 -2.8 0 0.0 0 0.0 12 55
108 A1032 ALA A E E Aad - 5 134 -148.4 147.1 176.9 -161.1 20.8 173.5 4 -1.8 6 -2.5 0 0.0 0 0.0 14 67
109 A1033 VAL V E E Aad - 6 135 -129.2 129.6 176.2 -157.9 6.9 178.9 134 -2.4 136 -2.6 0 0.0 111 -0.6 14 76
110 A1034 VAL V E E Aad - 7 136 -103.9 117.8 -178.3 -165.5 20.3 163.1 6 -2.8 8 -3.4 0 0.0 112 -0.5 12 77
111 A1035 ILE I E E Aad - 8 137 -115.0 120.0 -179.5 -148.4 9.0 160.7 136 -1.8 138 -2.5 109 -0.6 0 0.0 13 81
112 A1036 LEU L E E A d - 0 138 -85.4 133.9 -178.0 -170.6 15.6 136.2 8 -2.5 0 0.0 110 -0.5 0 0.0 11 80
113 A1037 VAL V E E A d + 0 139 -132.3 121.0 178.1 156.8 25.2 166.8 138 -3.0 140 -2.5 0 0.0 0 0.0 13 71
114 A1038 THR T + 0 0 -117.2 -1.4 -177.6 29.0 68.8 64.5 0 0.0 0 0.0 0 0.0 0 0.0 13 61
115 A1039 ASP D S S S- 0 0 -151.4 171.8 178.2 -78.1 89.8 155.1 0 0.0 0 0.0 0 0.0 0 0.0 9 51
116 A1040 VAL V - 0 0 -73.5 136.9 179.7 -111.0 55.7 124.2 0 0.0 0 0.0 0 0.0 0 0.0 10 43
117 A1041 SER S - 0 0 -71.4 141.6 177.4 -149.1 13.0 117.7 0 0.0 0 0.0 0 0.0 0 0.0 13 51
118 A1042 VAL V S S S+ 0 0 -80.6 -22.3 178.9 48.3 83.5 45.0 81 -2.8 0 0.0 0 0.0 0 0.0 8 36
119 A1043 ASP D S S S- 0 0 -115.6 165.4 179.9 -88.0 100.7 138.0 0 0.0 0 0.0 0 0.0 0 0.0 9 35
120 A1044 SER S - 0 0 -70.4 132.0 -179.7 -166.5 31.0 122.7 0 0.0 0 0.0 0 0.0 0 0.0 8 33
121 A1045 VAL V h > T + 0 0 -99.1 -1.6 -177.2 91.4 65.7 62.0 0 0.0 125 -2.0 0 0.0 0 0.0 14 43
122 A1046 ASP D H H > TS+ 0 0 -60.2 -45.4 -178.2 49.7 84.3 28.0 0 0.0 126 -1.9 0 0.0 0 0.0 9 37
123 A1047 ALA A H H > TS+ 0 0 -62.4 -50.3 -179.9 44.6 113.2 21.8 0 0.0 127 -2.2 0 0.0 0 0.0 9 35
124 A1048 ALA A H H > TS+ 0 0 -65.0 -36.4 178.2 55.5 110.6 29.0 0 0.0 128 -2.4 0 0.0 0 0.0 13 48
125 A1049 ALA A H H X TS+ 0 0 -62.5 -37.6 179.8 45.1 111.2 23.8 121 -2.0 129 -2.0 0 0.0 0 0.0 15 51
126 A1050 ASP D H H X TS+ 0 0 -73.8 -34.8 178.3 54.8 109.4 30.4 122 -1.9 130 -2.9 0 0.0 0 0.0 9 39
127 A1051 ALA A H H X TS+ 0 0 -64.3 -37.8 178.2 52.0 107.1 27.5 123 -2.2 131 -1.4 0 0.0 0 0.0 10 38
128 A1052 ALA A H H < >TS+ 0 0 -62.0 -51.3 179.3 46.9 111.5 14.1 124 -2.4 133 -2.8 0 0.0 0 0.0 15 50
129 A1053 ARG R H H < >5TS+ 0 0 -55.5 -52.8 -177.1 46.3 113.0 21.1 125 -2.0 132 -1.7 0 0.0 0 0.0 11 38
130 A1054 SER S H H < 35TS+ 0 0 -66.9 -19.0 179.4 53.3 112.4 41.6 126 -2.9 0 0.0 0 0.0 0 0.0 7 30
131 A1055 ASN N T h < 35TS- 0 0 -98.3 9.1 176.5 -112.0 115.9 76.5 127 -1.4 0 0.0 0 0.0 0 0.0 8 39
132 A1056 ARG R T e <5T + 0 0 67.8 28.8 179.4 146.4 67.4 39.8 129 -1.7 107 -0.6 0 0.0 134 -0.6 8 40
133 A1057 VAL V E E Ad T - 0 0 -100.5 115.1 -179.6 -158.7 20.2 151.0 0 0.0 149 -1.9 0 0.0 0 0.0 9 39
146 A1070 ALA A H H > TS+ 0 0 -61.3 -35.0 179.4 56.0 93.8 33.2 144 -0.7 150 -2.1 0 0.0 0 0.0 7 38
147 A1071 ALA A H H > TS+ 0 0 -65.1 -39.0 178.0 49.9 107.3 26.8 0 0.0 151 -1.9 0 0.0 0 0.0 6 36
148 A1072 GLN Q H H > TS+ 0 0 -65.0 -41.6 178.4 53.7 107.6 28.0 0 0.0 152 -2.3 0 0.0 0 0.0 11 49
149 A1073 LEU L H H X TS+ 0 0 -57.9 -46.0 -179.5 50.1 108.2 22.9 145 -1.9 153 -1.4 0 0.0 0 0.0 14 57
150 A1074 ARG R H H < TS+ 0 0 -60.3 -42.8 -180.0 52.2 108.6 24.5 146 -2.1 0 0.0 0 0.0 0 0.0 12 46
151 A1075 ILE I H H < > TS+ 0 0 -61.5 -40.9 179.7 58.9 103.0 22.2 147 -1.9 154 -2.1 0 0.0 0 0.0 11 48
152 A1076 LEU L H H < 3 TS+ 0 0 -56.0 -38.5 -178.7 59.5 98.0 28.9 148 -2.3 0 0.0 0 0.0 0 0.0 13 61
153 A1077 ALA A T h X > TS- 0 0 -69.0 -8.7 179.4 -177.5 86.7 55.6 149 -1.4 156 -1.5 0 0.0 157 -0.6 16 53
154 A1078 GLY G G G 4 X T + 0 0 49.8 -136.6 -179.6 0.1 61.0 94.1 151 -2.1 157 -1.6 0 0.0 0 0.0 12 44
155 A1079 PRO P G G 4 3 TS+ 0 0 -54.7 -29.9 179.7 60.3 129.9 44.9 0 0.0 0 0.0 0 0.0 0 0.0 5 31
156 A1080 ALA A G G 4 X TS+ 0 0 -70.9 -29.2 179.0 171.8 88.4 37.0 153 -1.5 159 -0.8 0 0.0 0 0.0 9 34
157 A1081 GLY G G G < X T - 0 0 61.8 -149.1 -178.5 -2.6 52.0 96.9 154 -1.6 160 -2.1 153 -0.6 0 0.0 10 31
158 A1082 ASP D G G > TS+ 0 0 -45.9 -38.0 -178.8 70.0 122.2 41.6 0 0.0 161 -1.2 0 0.0 0 0.0 7 26
159 A1083 SER S G G < TS+ 0 0 -54.9 -33.8 -177.8 45.5 101.2 36.4 156 -0.8 0 0.0 0 0.0 0 0.0 5 28
160 A1084 ASN N G G < TS+ 0 0 -91.9 -7.2 -178.4 98.1 91.7 58.8 157 -2.1 0 0.0 0 0.0 0 0.0 10 41
161 A1085 VAL V g < T - 0 0 -90.0 135.9 177.2 -171.9 48.4 132.2 158 -1.2 0 0.0 0 0.0 0 0.0 13 44
162 A1086 VAL V E E Ae - 138 0 -124.4 136.0 178.7 -162.5 5.1 168.4 137 -2.1 139 -2.8 0 0.0 0 0.0 8 48
163 A1087 LYS K E E Ae - 139 0 -121.5 125.7 -179.0 -163.8 7.1 171.5 0 0.0 0 0.0 0 0.0 0 0.0 8 41
164 A1088 LEU L E E Ae - 140 0 -111.5 139.5 -179.8 -149.7 16.2 153.7 139 -3.2 141 -2.2 0 0.0 0 0.0 11 37
165 A1089 GLN Q S S S+ 0 0 -71.7 -45.3 -178.4 19.4 82.2 22.5 0 0.0 0 0.0 0 0.0 0 0.0 8 27
166 A1090 ARG R S t > TS- 0 0 -126.5 156.4 177.9 -120.1 74.0 154.6 0 0.0 169 -1.6 0 0.0 0 0.0 8 31
167 A1091 ILE I T T > TS+ 0 0 -62.3 -31.3 179.0 67.0 112.4 32.2 0 0.0 170 -2.1 0 0.0 0 0.0 10 42
168 A1092 GLU E T h > 3 TS+ 0 0 -61.4 -22.5 -179.8 63.8 90.8 41.6 0 0.0 172 -0.9 0 0.0 0 0.0 7 35
169 A1093 ASP D H H > < TS+ 0 0 -77.7 -12.3 179.9 74.7 87.6 52.3 166 -1.6 173 -0.9 0 0.0 0 0.0 9 37
170 A1094 LEU L H H > X TS+ 0 0 -66.3 -59.8 179.7 39.4 97.6 10.8 167 -2.1 173 -1.0 0 0.0 174 -0.5 13 48
171 A1095 PRO P H H > > TS+ 0 0 -60.7 -33.6 -179.6 60.8 110.7 26.1 0 0.0 175 -2.0 0 0.0 174 -1.7 12 44
172 A1096 THR T H H X 3 TS+ 0 0 -63.7 -25.0 177.6 73.5 87.8 37.7 168 -0.9 176 -1.8 0 0.0 0 0.0 9 35
173 A1097 MET M H H < < TS+ 0 0 -54.6 -33.0 -178.9 23.0 115.0 34.2 170 -1.0 180 -0.6 169 -0.9 0 0.0 11 46
174 A1098 VAL V H H < < TS+ 0 0 -108.0 -22.2 -178.8 56.3 120.4 47.8 171 -1.7 0 0.0 170 -0.5 0 0.0 14 38
175 A1099 THR T H H < TS+ 0 0 -80.8 -34.6 -176.9 47.3 106.5 31.5 171 -2.0 0 0.0 0 0.0 0 0.0 8 28
176 A1100 LEU L S h < TS- 0 0 -80.2 -26.8 -178.3 -26.0 123.1 38.9 172 -1.8 0 0.0 0 0.0 0 0.0 6 22
177 A1101 GLY G - 0 0 -166.8 -170.4 -177.1 -98.1 58.2 159.7 0 0.0 0 0.0 0 0.0 0 0.0 7 22
178 A1102 ASN N S h > TS+ 0 0 -112.4 8.6 -179.3 109.3 76.6 74.7 0 0.0 182 -2.8 0 0.0 0 0.0 8 22
179 A1103 SER S H H > TS+ 0 0 -49.7 -54.1 -179.5 35.9 89.9 20.5 0 0.0 183 -1.0 0 0.0 0 0.0 8 24
180 A1104 PHE F H H > > TS+ 0 0 -66.9 -48.7 -179.6 54.6 115.1 21.0 173 -0.6 184 -0.9 0 0.0 183 -0.6 9 40
181 A1105 LEU L H H 4 > TS+ 0 0 -54.2 -40.6 179.4 50.0 108.4 26.9 0 0.0 184 -0.9 0 0.0 0 0.0 9 47
182 A1106 HIS H H H < 3 TS+ 0 0 -68.1 -28.9 -178.7 67.6 99.2 36.6 178 -2.8 0 0.0 0 0.0 0 0.0 6 32
183 A1107 LYS K H H < < T 0 0 -62.9 -26.6 180.0 999.9 999.9 41.2 179 -1.0 0 0.0 180 -0.6 0 0.0 5 38
184 A1108 LEU L h < < T 0 0 -80.2 999.9 999.9 999.9 999.9 42.4 181 -0.9 0 0.0 180 -0.9 0 0.0 5 46
1atzA.pdb
1ATZ COLLAGEN-BINDING MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEEEEE SSSS HHHHHHHHHHHHHHHHHS BSTTSEEEEEEEESSSEEEEE TT HHHHHHHHHT HHHHHHHHHHHHHS TT Kabs/Sand
chirality --------++-++--+++++++++++++++++--+-++-----+--+-+---++--++--+-++++++++++----+--+++++++++++++++---++ chirality
bends SSSS SSSSSSSSSSSSSSSSSS SSSS SSS SS SS SSSSSSSSSS SSSSSSSSSSSSS SS bends
turns TTTTTTTTTTTTTTTTTTT TTTT TTTT TTTTTTTTTTTT TTTTTTTTTTTTTTT TTT turns
5-turns 5-turns
3-turns >33< >33< >33< >33<>33<>33< >33 3-turns
bridge-2 bbbbbbbb a CCCC bridge-2
bridge-1 aaaaaa a bbbbbbbb CCC*C bridge-1
sheets AAAAAAAA AAAAAAAA AAAAA sheets
4-turns >>>>XXXXXXXXXXX<<<< >>>>XXX<<<< >>>>XXXXXXX<<<< 4-turns
summary eEEEEEEEEeSSSShHHHHHHHHHHHHHHHHHh BtTTeEEEEEEEEeSeEEEEEtTTt hHHHHHHHHHht hHHHHHHHHHHHHHh tTT summary
sequence QPLDVILLLDGSSSFPASYFDEMKSFAKAFISKANIGPRLTQVSVLQYGSITTIDVPWNVVPEKAHLLSLVDVMQREGGPSQIGDALGFAVRYLTSEMHG sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand TTSEEEEEEEE S SS HHHHHHHHHTTEEEEEEEESSSS HHHHHHHTGGGGGGG EEESSTTHHHHHHHS SHHHHH Kabs/Sand
chirality --++--+-----++---+--++++++++++-+---------++--+++++++-+++-+++----+-+++++++++--+++++ chirality
bends SSS S SS SSSSSSSSSS SSSS SSSSSSSS SS SSS SSSSSSSSSSSS SSSSS bends
turns TTTTT TTTTTTTTTTTTT TTTTTTTTTTTTTTTTT TTTTTTTTTTT TTTTTTT turns
5-turns >5555< 5-turns
3-turns <>33< >33< >3>X3XX><<< >>33<< >>3<< 3-turns
bridge-2 ddddddd eee bridge-2
bridge-1 aaaaaa ddddddd eee bridge-1
sheets AAAAAAAA AAAAAAAA AAA sheets
4-turns >>>>XXX<<<< >>>>X<<>>>X<<<< >>>4<<< 4-turns
summary ttTTtEEEEEEEE S SS hHHHHHHHHHheEEEEEEEEeSSShHHHHHHHhGGGGGGGgEEEStThHHHHHHHh hHHHHHh summary
sequence ARPGASKAVVILVTDVSVDSVDAAADAARSNRVTVFPIGIGDRYDAAQLRILAGPAGDSNVVKLQRIEDLPTMVTLGNSFLHKL sequence
110 120 130 140 150 160 170 180