Secondary structure calculation program - copyright by David Keith Smith, 1989
1sbf-.pdb
1SBF LECTIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 234
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 1 ALA A 0 0 999.9 172.8 179.4 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 6 24
2 2 GLU E E E AA + 232 0 -148.6 121.6 -174.4 176.6 999.9 164.1 232 -1.3 232 -3.3 0 0.0 0 0.0 7 26
3 3 THR T E E AA + 231 0 -133.7 159.9 173.4 178.3 15.9 170.7 0 0.0 0 0.0 0 0.0 0 0.0 8 28
4 4 VAL V E E AA + 230 0 -153.7 149.1 177.4 166.0 11.0 168.8 230 -1.7 230 -2.6 0 0.0 0 0.0 8 32
5 5 SER S E E AA + 229 0 -159.0 164.4 177.9 176.9 7.3 172.2 0 0.0 0 0.0 0 0.0 0 0.0 8 33
6 6 PHE F E E AA - 228 0 -167.8 155.8 178.9 -168.2 5.8 167.3 228 -1.9 228 -2.9 0 0.0 0 0.0 7 32
7 7 SER S E E AA + 227 0 -153.4 138.9 174.0 173.5 6.4 169.3 0 0.0 0 0.0 0 0.0 0 0.0 8 32
8 8 TRP W E E AA - 226 0 -142.2 136.2 173.7 -161.9 22.8 167.9 226 -1.4 226 -1.8 0 0.0 0 0.0 8 30
9 9 ASN N S S S+ 0 0 -90.8 -6.1 179.8 15.1 86.5 56.5 0 0.0 0 0.0 0 0.0 0 0.0 7 30
10 10 LYS K S S S- 0 0 -160.2 160.0 175.9 -116.8 74.2 164.9 0 0.0 0 0.0 0 0.0 0 0.0 9 34
11 11 PHE F - 0 0 -97.4 158.0 179.8 -146.5 22.4 126.8 30 -1.1 0 0.0 0 0.0 0 0.0 12 40
12 12 VAL V t > T - 0 0 -130.2 122.4 -174.7 -106.5 29.0 174.9 0 0.0 15 -2.2 0 0.0 0 0.0 9 29
13 13 PRO P T T 3 TS+ 0 0 -54.8 138.6 -177.9 12.6 104.5 102.5 0 0.0 0 0.0 0 0.0 0 0.0 9 30
14 14 LYS K T T 3 TS+ 0 0 70.3 13.5 178.1 173.7 83.5 53.2 0 0.0 0 0.0 0 0.0 0 0.0 5 25
15 15 GLN Q t X T - 0 0 -57.5 130.1 -170.2 -143.0 28.3 106.0 12 -2.2 18 -1.0 0 0.0 0 0.0 7 32
16 16 PRO P T T 3 TS+ 0 0 -80.8 2.9 -176.9 65.0 90.7 65.5 0 0.0 0 0.0 0 0.0 0 0.0 6 21
17 17 ASN N T e 3 TS+ 0 0 -110.4 12.0 178.3 72.0 92.0 81.5 0 0.0 54 -2.3 0 0.0 0 0.0 7 32
18 18 MET M E E BB < T - 53 0 -126.9 137.7 173.4 -147.4 66.8 166.2 15 -1.0 0 0.0 0 0.0 0 0.0 9 47
19 19 ILE I E E BB - 52 0 -105.4 130.0 -179.2 -157.8 16.0 162.2 52 -3.5 52 -2.9 0 0.0 0 0.0 9 41
20 20 LEU L E E BB + 51 0 -111.7 135.6 177.0 177.4 12.7 155.3 0 0.0 0 0.0 0 0.0 0 0.0 10 45
21 21 GLN Q E E BB > T - 50 0 -131.6 156.7 178.8 -0.1 50.5 158.9 50 -3.0 50 -2.6 0 0.0 24 -1.4 10 44
22 22 GLY G E E BB 3 TS- 49 0 73.8 -132.5 -175.9 -25.6 125.2 121.0 0 0.0 0 0.0 0 0.0 0 0.0 9 42
23 23 ASP D T e 3 TS+ 0 0 -98.6 1.0 -175.8 133.0 96.9 74.9 48 -1.5 0 0.0 0 0.0 0 0.0 11 45
24 24 ALA A t < T + 0 0 -61.7 133.6 174.5 160.1 26.8 113.0 21 -1.4 0 0.0 0 0.0 0 0.0 15 51
25 25 ILE I E E AC - 33 0 -144.1 166.5 173.9 -119.9 37.3 163.9 33 -2.5 33 -2.8 0 0.0 27 -0.6 10 45
26 26 VAL V E E AC - 32 0 -115.8 118.7 -179.0 -142.9 27.1 158.6 0 0.0 0 0.0 0 0.0 0 0.0 13 43
27 27 THR T e > T - 0 0 -71.2 160.3 176.2 -114.2 25.5 112.7 31 -2.2 30 -2.4 25 -0.6 0 0.0 10 32
28 28 SER S T T 3 TS+ 0 0 -63.9 -20.4 179.2 69.3 116.4 41.7 0 0.0 0 0.0 0 0.0 0 0.0 7 19
29 29 SER S T T 3 TS- 0 0 -79.1 1.3 177.2 -108.1 120.1 65.6 0 0.0 0 0.0 0 0.0 0 0.0 5 21
30 30 GLY G S t < TS+ 0 0 80.0 23.4 178.2 136.2 74.0 39.9 27 -2.4 11 -1.1 0 0.0 0 0.0 11 30
31 31 LYS K e - 0 0 -109.2 137.1 174.3 -136.6 55.2 148.3 0 0.0 27 -2.2 0 0.0 33 -1.1 13 44
32 32 LEU L E E ACD - 26 223 -87.7 97.9 -174.4 -164.3 28.1 147.7 223 -2.7 223 -2.3 0 0.0 34 -0.8 12 58
33 33 GLN Q E E ACD - 25 222 -94.7 106.5 -170.7 -175.6 11.4 145.9 25 -2.8 25 -2.5 31 -1.1 0 0.0 12 61
34 34 LEU L e + 0 0 -76.7 -25.6 -175.9 49.2 60.8 45.2 221 -1.8 0 0.0 32 -0.8 0 0.0 17 66
35 35 ASN N S S S- 0 0 -126.9 149.9 -178.4 -108.3 82.7 164.8 0 0.0 0 0.0 0 0.0 0 0.0 18 59
36 36 LYS K - 0 0 -72.4 140.4 -172.2 -159.8 37.1 105.9 0 0.0 44 -2.0 0 0.0 0 0.0 11 49
37 37 VAL V B B A - 43 0 -135.2 139.1 178.3 -115.4 14.5 171.2 0 0.0 0 0.0 0 0.0 0 0.0 10 39
38 38 ASP D t > T - 0 0 -55.0 176.0 178.4 -93.3 44.6 85.8 42 -3.4 41 -1.5 0 0.0 0 0.0 8 25
39 39 GLU E T T 3 TS+ 0 0 -56.2 -54.5 -179.7 49.9 129.8 15.1 0 0.0 0 0.0 0 0.0 0 0.0 5 13
40 40 ASN N T T 3 TS- 0 0 -68.5 3.7 177.9 -96.8 130.6 68.1 0 0.0 0 0.0 0 0.0 0 0.0 5 16
41 41 GLY G S t < TS+ 0 0 83.6 29.2 -178.4 152.4 74.4 40.7 38 -1.5 0 0.0 0 0.0 0 0.0 6 29
42 42 THR T - 0 0 -100.5 118.4 -177.0 -117.8 47.1 144.8 0 0.0 38 -3.4 0 0.0 0 0.0 10 36
43 43 PRO P B B A - 37 0 -51.8 141.2 178.8 -130.2 25.2 96.0 0 0.0 0 0.0 0 0.0 0 0.0 15 48
44 44 LYS K t > T - 0 0 -99.0 136.6 -175.6 -112.5 25.6 143.8 36 -2.0 47 -0.7 0 0.0 0 0.0 12 43
45 45 PRO P T T 3 TS+ 0 0 -67.9 148.7 -179.5 29.0 97.6 111.1 0 0.0 0 0.0 0 0.0 0 0.0 11 45
46 46 SER S T T 3 TS+ 0 0 70.8 31.0 173.4 153.7 83.0 36.7 213 -2.1 0 0.0 0 0.0 0 0.0 13 44
47 47 SER S e < T - 0 0 -86.0 145.3 177.1 -178.1 19.3 130.3 44 -0.7 212 -1.3 0 0.0 0 0.0 15 54
48 48 LEU L E E B E + 0 211 -151.2 111.7 179.8 166.1 6.8 150.8 0 0.0 23 -1.5 0 0.0 0 0.0 17 55
49 49 GLY G E E BBE - 22 210 -126.5 140.2 175.9 -179.6 6.4 167.7 210 -1.5 210 -2.0 0 0.0 0 0.0 15 60
50 50 ARG R E E BBE - 21 209 -131.5 158.2 177.3 -166.9 5.9 157.8 21 -2.6 21 -3.0 0 0.0 0 0.0 16 61
51 51 ALA A E E BBE - 20 208 -148.7 132.8 -177.7 -167.6 5.3 166.6 208 -2.5 208 -2.6 0 0.0 0 0.0 13 65
52 52 LEU L E E BBE - 19 207 -127.0 137.7 171.7 -114.3 29.3 172.7 19 -2.9 19 -3.5 0 0.0 0 0.0 11 59
53 53 TYR Y E E BB - 18 0 -62.4 129.7 -172.0 -133.4 34.0 116.6 206 -2.2 0 0.0 0 0.0 0 0.0 11 56
54 54 SER S S e S+ 0 0 -62.3 -42.3 -176.4 77.1 80.4 28.9 17 -2.3 0 0.0 0 0.0 0 0.0 9 38
55 55 THR T S S S- 0 0 -78.9 130.7 177.4 -123.0 82.9 125.7 0 0.0 0 0.0 0 0.0 0 0.0 6 36
56 56 PRO P - 0 0 -69.7 139.5 -178.1 -134.9 23.4 115.7 0 0.0 0 0.0 0 0.0 0 0.0 10 41
57 57 ILE I E E BF - 204 0 -102.8 138.0 176.6 -132.3 6.1 147.8 204 -3.8 204 -3.1 0 0.0 59 -0.8 9 50
58 58 HIS H E E BF + 203 0 -90.8 101.8 -170.6 170.2 32.1 145.7 0 0.0 0 0.0 0 0.0 0 0.0 10 46
59 59 ILE I e - 0 0 -94.3 -25.9 174.0 -2.2 58.8 44.5 202 -2.4 68 -3.0 57 -0.8 0 0.0 12 57
60 60 TRP W B B B - 67 0 -166.3 159.1 -172.7 -126.6 61.1 174.4 202 -1.5 62 -0.6 0 0.0 0 0.0 14 46
61 61 ASP D t > T - 0 0 -117.5 108.2 177.6 -165.1 5.2 156.3 66 -2.9 65 -2.6 0 0.0 0 0.0 10 32
62 62 LYS K T T 4 TS+ 0 0 -56.8 -32.7 -179.9 50.3 93.9 32.0 60 -0.6 0 0.0 0 0.0 0 0.0 7 23
63 63 GLU E T T 4 TS+ 0 0 -67.8 -64.5 -177.8 24.7 123.0 3.4 0 0.0 0 0.0 0 0.0 0 0.0 4 18
64 64 THR T T T 4 TS- 0 0 -75.0 -19.4 -175.3 -131.3 96.8 52.8 0 0.0 0 0.0 0 0.0 0 0.0 6 18
65 65 GLY G t < T + 0 0 79.6 -7.3 -179.8 144.7 57.6 67.9 61 -2.6 0 0.0 0 0.0 0 0.0 7 28
66 66 SER S - 0 0 -66.8 147.6 176.0 -155.3 35.6 111.0 0 0.0 61 -2.9 0 0.0 0 0.0 10 35
67 67 VAL V B B B - 60 0 -122.0 137.8 -178.2 -116.4 19.1 166.1 0 0.0 0 0.0 0 0.0 0 0.0 12 44
68 68 ALA A - 0 0 -72.9 149.2 163.9 -144.8 13.9 114.0 59 -3.0 0 0.0 0 0.0 0 0.0 13 52
69 69 SER S E E AG + 231 0 -98.2 149.7 178.7 173.4 32.0 141.4 231 -1.9 231 -2.7 0 0.0 0 0.0 12 48
70 70 PHE F E E AGH - 230 168 -154.5 167.9 179.8 -157.4 23.9 168.2 168 -1.6 168 -2.7 0 0.0 0 0.0 11 55
71 71 ALA A E E AGH - 229 167 -149.9 138.5 177.1 -176.3 8.5 167.3 229 -2.1 229 -2.9 0 0.0 0 0.0 11 46
72 72 ALA A E E AGH - 228 166 -135.7 143.4 171.8 -174.3 1.9 177.6 166 -2.4 166 -3.2 0 0.0 0 0.0 11 53
73 73 SER S E E AGH + 227 165 -132.6 157.1 175.5 160.2 9.3 160.9 227 -1.8 227 -2.9 0 0.0 0 0.0 11 46
74 74 PHE F E E AGH - 226 164 -166.5 161.9 174.6 -128.5 30.8 168.8 164 -1.6 164 -3.2 0 0.0 0 0.0 12 56
75 75 ASN N E E AGH + 225 163 -112.4 137.4 179.0 163.0 36.8 159.1 225 -0.8 224 -3.1 0 0.0 225 -1.0 12 50
76 76 PHE F E E AGH - 223 162 -152.9 165.4 178.8 -174.0 15.7 164.5 162 -2.2 162 -3.3 0 0.0 0 0.0 13 59
77 77 THR T E E AG - 222 0 -153.7 166.3 176.3 -152.4 8.4 165.8 222 -2.7 222 -3.4 0 0.0 0 0.0 13 60
78 78 PHE F E E AG - 221 0 -139.9 154.0 174.2 -144.4 9.3 167.8 0 0.0 159 -2.3 0 0.0 0 0.0 11 62
79 79 TYR Y E E AG - 220 0 -126.0 131.2 -178.8 -172.2 12.0 164.7 220 -0.9 220 -2.1 0 0.0 0 0.0 9 52
80 80 ALA A - 0 0 -123.9 113.4 177.2 -163.5 16.0 163.8 0 0.0 0 0.0 0 0.0 0 0.0 12 45
81 81 PRO P S S S+ 0 0 -61.4 -33.4 177.1 34.3 94.8 29.1 0 0.0 0 0.0 0 0.0 0 0.0 7 32
82 82 ASP D S t > TS- 0 0 -129.4 98.6 -177.6 -164.9 70.2 142.8 0 0.0 85 -3.1 0 0.0 0 0.0 7 30
83 83 THR T T T 3 TS+ 0 0 -53.6 -12.5 -176.9 60.5 88.3 53.4 0 0.0 0 0.0 0 0.0 0 0.0 7 32
84 84 LYS K T T 3 TS+ 0 0 -95.8 -8.3 -178.5 49.7 102.5 50.9 0 0.0 0 0.0 0 0.0 0 0.0 4 24
85 85 ARG R S t < TS+ 0 0 -133.1 80.2 -175.9 167.5 73.7 132.6 82 -3.1 0 0.0 0 0.0 0 0.0 6 38
86 86 LEU L - 0 0 -91.5 146.7 173.0 -151.1 14.8 132.6 0 0.0 0 0.0 0 0.0 0 0.0 13 50
87 87 ALA A e - 0 0 -179.2 143.0 0.0 -38.7 37.3 152.4 0 0.0 219 -1.9 0 0.0 213 -1.2 17 60
88 88 ASP D E E BI - 212 0 -115.2 -28.6 178.3 -136.0 63.0 151.8 0 0.0 127 -2.2 0 0.0 128 -1.2 16 72
89 89 GLY G E E BIJ - 211 126 141.1 -173.8 -177.6 -80.2 13.5 150.1 211 -1.5 211 -2.1 0 0.0 0 0.0 16 76
90 90 LEU L E E BIJ - 210 125 -131.0 150.6 178.2 -164.9 30.0 160.7 125 -2.1 125 -3.4 0 0.0 0 0.0 13 82
91 91 ALA A E E BIJ - 209 124 -143.4 146.9 170.1 -152.8 16.5 174.6 209 -2.5 209 -2.1 0 0.0 0 0.0 12 81
92 92 PHE F E E BIJ + 208 123 -103.4 130.2 -177.0 164.9 40.4 160.2 123 -2.2 123 -2.7 0 0.0 0 0.0 11 76
93 93 PHE F E E BIJ - 207 122 -154.8 172.4 179.2 -134.9 40.0 162.3 207 -2.9 207 -2.4 0 0.0 0 0.0 12 77
94 94 LEU L E E BIJ + 206 121 -129.7 131.3 -175.1 149.5 36.0 171.0 121 -2.2 121 -2.5 0 0.0 0 0.0 12 70
95 95 ALA A E E BI - 205 0 -151.9 176.1 -178.9 -55.6 47.4 150.3 205 -2.3 205 -2.2 0 0.0 0 0.0 14 53
96 96 PRO P E E BI > T - 204 0 -67.4 145.2 -179.7 -108.6 53.8 110.2 0 0.0 99 -2.6 0 0.0 0 0.0 12 45
97 97 ILE I T e 3 TS+ 0 0 -36.6 -48.4 -179.2 47.6 119.3 38.2 203 -0.6 0 0.0 0 0.0 0 0.0 8 37
98 98 ASP D T T 3 TS+ 0 0 -89.4 21.9 178.6 157.5 82.4 81.2 0 0.0 0 0.0 0 0.0 0 0.0 4 33
99 99 THR T t < T - 0 0 -52.3 131.9 176.2 -170.5 18.8 98.9 96 -2.6 0 0.0 0 0.0 0 0.0 7 47
100 100 LYS K - 0 0 -121.9 159.2 -176.2 -81.9 33.9 142.4 0 0.0 0 0.0 0 0.0 0 0.0 5 41
101 101 PRO P - 0 0 -67.4 137.9 177.9 -171.6 47.4 117.1 0 0.0 0 0.0 0 0.0 0 0.0 9 50
102 102 GLN Q - 0 0 -103.0 -146.1 -176.1 -19.5 44.3 83.8 109 -3.3 0 0.0 0 0.0 0 0.0 10 48
103 103 THR T - 0 0 -69.9 146.7 -176.4 -140.1 63.9 109.2 111 -2.2 109 -2.7 0 0.0 0 0.0 12 43
104 104 HIS H g > T + 0 0 -94.3 -161.9 -171.0 31.9 62.6 83.8 0 0.0 107 -2.4 0 0.0 0 0.0 13 54
105 105 ALA A G G > TS+ 0 0 46.8 -132.8 -175.5 5.7 131.1 98.9 0 0.0 108 -2.8 0 0.0 0 0.0 15 56
106 106 GLY G G G 3 TS+ 0 0 -57.1 -11.2 175.6 66.5 125.0 56.2 0 0.0 0 0.0 0 0.0 0 0.0 13 58
107 107 TYR Y G G > X TS- 0 0 -88.1 -1.7 174.4 -139.8 96.8 63.0 104 -2.4 110 -2.0 0 0.0 111 -1.5 12 61
108 108 LEU L T g 4 < T - 0 0 54.3 24.7 179.2 -74.2 55.2 46.9 105 -2.8 0 0.0 0 0.0 0 0.0 17 75
109 109 GLY G T T 4 3 TS+ 0 0 72.8 4.5 -173.9 88.0 125.4 62.7 103 -2.7 102 -3.3 0 0.0 0 0.0 15 64
110 110 LEU L T T 4 < TS+ 0 0 -100.9 -42.7 -172.3 25.2 85.2 36.8 107 -2.0 0 0.0 0 0.0 0 0.0 11 65
111 111 PHE F t < T - 0 0 -121.6 -172.5 -175.5 -126.7 63.4 128.3 107 -1.5 103 -2.2 0 0.0 0 0.0 13 51
112 112 ASN N t > T - 0 0 -144.3 142.5 175.3 -108.1 24.1 173.3 0 0.0 115 -1.4 0 0.0 0 0.0 10 32
113 113 GLU E T T 3 TS+ 0 0 -67.4 135.5 174.8 10.8 105.0 115.3 0 0.0 0 0.0 0 0.0 0 0.0 6 24
114 114 ASN N T T 3 TS+ 0 0 76.5 12.2 -177.4 99.7 111.0 52.3 0 0.0 0 0.0 0 0.0 0 0.0 4 19
115 115 GLU E S t < TS- 0 0 -135.0 141.6 172.2 -118.8 74.9 172.8 112 -1.4 0 0.0 0 0.0 0 0.0 6 19
116 116 SER S - 0 0 -72.8 137.1 -175.8 -102.9 49.8 123.3 0 0.0 0 0.0 0 0.0 0 0.0 7 23
117 117 GLY G - 0 0 -67.3 146.4 175.6 -115.1 24.8 106.3 144 -0.9 0 0.0 0 0.0 0 0.0 9 37
118 118 ASP D - 0 0 -56.0 -165.9 178.2 -66.5 64.1 79.0 0 0.0 120 -1.6 0 0.0 0 0.0 7 41
119 119 GLN Q S S S+ 0 0 -92.5 85.5 -171.5 153.1 84.2 133.1 0 0.0 121 -0.5 0 0.0 0 0.0 11 45
120 120 VAL V e - 0 0 -124.0 122.6 176.4 -171.8 28.9 163.9 118 -1.6 144 -3.4 0 0.0 0 0.0 16 58
121 121 VAL V E E BJK + 94 143 -108.7 131.5 -179.9 173.5 21.0 157.5 94 -2.5 94 -2.2 119 -0.5 0 0.0 13 69
122 122 ALA A E E BJK - 93 142 -141.3 158.2 170.1 -148.0 36.7 168.6 142 -3.9 142 -3.4 0 0.0 124 -0.6 13 72
123 123 VAL V E E BJK - 92 141 -115.9 117.7 -175.3 -160.1 36.7 166.2 92 -2.7 92 -2.2 0 0.0 0 0.0 12 70
124 124 GLU E E E BJK - 91 140 -103.5 152.2 172.4 -159.4 26.9 138.6 140 -2.4 140 -2.6 122 -0.6 126 -0.6 13 80
125 125 PHE F E E BJK - 90 139 -124.2 94.0 -162.8 -166.8 31.2 160.0 90 -3.4 90 -2.1 0 0.0 127 -0.6 12 81
126 126 ASP D E E BJK + 89 138 -103.8 120.0 -176.5 171.2 25.4 145.2 138 -2.7 138 -1.7 124 -0.6 0 0.0 13 70
127 127 THR T e + 0 0 -98.8 -12.1 -175.5 65.3 62.6 55.3 88 -2.2 0 0.0 125 -0.6 0 0.0 11 58
128 128 PHE F S S S- 0 0 -123.6 128.1 -179.7 -130.3 75.1 162.6 88 -1.2 130 -0.8 0 0.0 0 0.0 11 56
129 129 ARG R + 0 0 -73.1 107.7 172.7 180.0 30.2 125.3 0 0.0 0 0.0 0 0.0 0 0.0 11 40
130 130 ASN N t > T - 0 0 -95.8 178.4 -175.9 -88.7 49.1 116.1 128 -0.8 133 -1.9 0 0.0 0 0.0 6 40
131 131 SER S T T 3 TS+ 0 0 -56.3 -35.8 -176.8 47.9 130.2 31.8 0 0.0 0 0.0 0 0.0 0 0.0 4 22
132 132 TRP W T T 3 TS+ 0 0 -81.0 -5.7 -169.8 98.3 99.8 58.4 0 0.0 0 0.0 0 0.0 0 0.0 6 33
133 133 ASP D t < T - 0 0 -90.5 158.3 172.2 -125.5 69.4 114.8 130 -1.9 0 0.0 0 0.0 0 0.0 8 35
134 134 PRO P - 0 0 -84.9 172.4 178.4 -80.2 50.6 111.6 0 0.0 0 0.0 0 0.0 0 0.0 6 29
135 135 PRO P S S S+ 0 0 -77.8 143.3 178.7 14.4 92.7 123.4 0 0.0 0 0.0 0 0.0 0 0.0 5 28
136 136 ASN N S S S- 0 0 80.6 158.1 175.3 -47.0 102.8 76.3 0 0.0 0 0.0 0 0.0 0 0.0 9 33
137 137 PRO P S e S+ 0 0 -59.9 135.1 -172.7 171.6 70.9 111.7 0 0.0 154 -1.9 0 0.0 0 0.0 13 48
138 138 HIS H E E BKL - 126 153 -144.5 169.2 173.7 -121.6 35.8 154.4 126 -1.7 126 -2.7 0 0.0 0 0.0 13 51
139 139 ILE I E E BKL - 125 152 -112.2 138.7 179.8 -173.7 39.5 159.9 152 -3.0 152 -1.3 0 0.0 0 0.0 13 60
140 140 GLY G E E BKL - 124 151 -142.0 167.1 178.0 -134.4 31.5 161.6 124 -2.6 124 -2.4 0 0.0 142 -0.6 15 62
141 141 ILE I E E BKL - 123 150 -114.8 108.3 -179.3 -169.0 27.5 160.2 150 -2.0 149 -2.1 0 0.0 150 -0.8 13 60
142 142 ASN N E E BK - 122 0 -105.9 129.3 -178.2 -174.9 9.8 156.3 122 -3.4 122 -3.9 140 -0.6 144 -0.6 15 60
143 143 VAL V E E BK S- 121 0 -122.2 87.4 -178.3 -39.6 77.3 148.1 0 0.0 0 0.0 0 0.0 0 0.0 13 49
144 144 ASN N S e S+ 0 0 70.1 7.8 178.8 73.3 127.2 53.5 120 -3.4 117 -0.9 142 -0.6 0 0.0 12 47
145 145 SER S S S S- 0 0 -151.7 146.9 175.9 -137.0 75.4 175.4 0 0.0 0 0.0 0 0.0 0 0.0 10 46
146 146 ILE I S S S+ 0 0 -76.3 -6.4 179.2 91.8 90.6 59.4 0 0.0 148 -1.1 0 0.0 0 0.0 8 58
147 147 ARG R S S S- 0 0 -91.3 93.8 -170.3 -128.6 88.7 144.7 0 0.0 0 0.0 0 0.0 0 0.0 7 44
148 148 SER S - 0 0 -52.0 136.0 176.8 -146.9 11.1 103.6 146 -1.1 0 0.0 0 0.0 0 0.0 11 53
149 149 ILE I S S S+ 0 0 -72.4 -21.6 177.3 5.2 87.5 45.3 141 -2.1 0 0.0 0 0.0 0 0.0 8 36
150 150 LYS K E E BL S- 141 0 -162.8 145.4 -176.8 -173.6 71.4 165.7 141 -0.8 141 -2.0 0 0.0 0 0.0 10 39
151 151 THR T E E BL - 140 0 -140.0 169.8 -179.5 -171.6 7.2 158.5 0 0.0 0 0.0 0 0.0 0 0.0 10 44
152 152 THR T E E BL - 139 0 -162.9 150.7 -177.4 -87.7 36.6 168.4 139 -1.3 139 -3.0 0 0.0 0 0.0 10 38
153 153 SER S E E BL - 138 0 -67.9 138.6 -176.9 -150.3 32.5 109.0 0 0.0 155 -0.6 0 0.0 0 0.0 9 36
154 154 TRP W e - 0 0 -117.4 106.9 177.4 -151.9 5.3 160.3 137 -1.9 156 -2.0 0 0.0 0 0.0 10 51
155 155 ASP D - 0 0 -76.9 82.4 -175.6 -174.7 33.9 125.6 153 -0.6 0 0.0 0 0.0 0 0.0 8 43
156 156 LEU L - 0 0 -84.7 165.1 -178.5 -159.4 17.5 111.9 154 -2.0 0 0.0 0 0.0 0 0.0 5 54
157 157 ALA A t > T - 0 0 -147.9 118.1 -177.7 -117.0 22.8 159.7 0 0.0 160 -1.5 0 0.0 0 0.0 5 47
158 158 ASN N T T 3 TS- 0 0 -54.6 141.4 -179.2 -0.3 94.0 101.6 0 0.0 0 0.0 0 0.0 0 0.0 9 42
159 159 ASN N T T 3 TS+ 0 0 59.3 -5.1 176.0 119.6 101.5 67.2 78 -2.3 0 0.0 0 0.0 0 0.0 8 37
160 160 LYS K t < T - 0 0 -92.0 152.4 179.9 -111.7 67.5 131.1 157 -1.5 162 -0.5 0 0.0 0 0.0 9 34
161 161 VAL V - 0 0 -81.0 127.4 175.3 -154.0 25.7 134.4 0 0.0 0 0.0 0 0.0 0 0.0 10 44
162 162 ALA A E E AH - 76 0 -101.9 135.9 173.4 -147.1 4.6 142.3 76 -3.3 76 -2.2 160 -0.5 164 -0.5 11 49
163 163 LYS K E E AHM - 75 180 -101.1 115.0 -174.9 -164.0 23.3 160.9 180 -3.3 180 -2.3 0 0.0 0 0.0 12 48
164 164 VAL V E E AHM - 74 179 -109.3 144.8 179.6 -172.4 14.2 149.2 74 -3.2 74 -1.6 162 -0.5 0 0.0 12 59
165 165 LEU L E E AHM - 73 178 -139.7 120.4 178.8 -176.7 2.2 162.4 178 -2.5 178 -2.6 0 0.0 0 0.0 12 52
166 166 ILE I E E AHM - 72 177 -116.7 134.9 179.7 -178.3 7.6 159.1 72 -3.2 72 -2.4 0 0.0 0 0.0 11 55
167 167 THR T E E AHM - 71 176 -139.1 145.4 -179.3 -166.9 13.7 172.5 176 -2.7 176 -3.9 0 0.0 0 0.0 11 50
168 168 TYR Y E E AHM - 70 175 -132.5 115.5 -179.0 -165.6 4.0 162.6 70 -2.7 70 -1.6 0 0.0 170 -0.9 11 52
169 169 ASP D e > > T - 0 0 -106.3 101.2 -177.4 -163.9 5.7 144.2 174 -2.3 173 -2.3 0 0.0 172 -1.9 11 33
170 170 ALA A T T 4 3 TS+ 0 0 -48.8 -36.6 -176.6 66.9 86.8 35.6 168 -0.9 0 0.0 0 0.0 0 0.0 9 40
171 171 SER S T T 4 3 TS+ 0 0 -59.7 -33.6 178.7 16.5 121.0 32.0 0 0.0 0 0.0 0 0.0 0 0.0 6 29
172 172 THR T T T 4 < TS- 0 0 -119.7 5.2 179.2 -129.0 95.4 61.1 169 -1.9 0 0.0 0 0.0 0 0.0 6 21
173 173 SER S e < T + 0 0 57.3 23.8 -176.3 150.0 59.4 36.6 169 -2.3 194 -2.7 0 0.0 175 -0.6 11 36
174 174 LEU L E E A N - 0 193 -100.5 123.9 179.3 -158.6 35.0 148.3 0 0.0 169 -2.3 0 0.0 0 0.0 12 37
175 175 LEU L E E AMN - 168 192 -99.1 129.3 179.8 -163.6 9.3 151.2 192 -2.9 192 -1.4 173 -0.6 0 0.0 12 51
176 176 VAL V E E AMN - 167 191 -123.0 132.6 -176.1 -173.9 8.1 163.6 167 -3.9 167 -2.7 0 0.0 0 0.0 12 47
177 177 ALA A E E AMN + 166 190 -126.9 121.5 -176.8 173.8 8.5 165.7 190 -3.0 190 -2.1 0 0.0 0 0.0 12 56
178 178 SER S E E AMN - 165 189 -127.9 146.4 179.7 -168.4 9.2 166.5 165 -2.6 165 -2.5 0 0.0 0 0.0 11 47
179 179 LEU L E E AMN - 164 188 -138.7 140.3 -173.7 -173.1 5.2 170.5 188 -3.2 188 -2.6 0 0.0 0 0.0 11 51
180 180 VAL V E E AMN - 163 187 -139.8 137.6 174.1 -160.2 17.1 172.0 163 -2.3 163 -3.3 0 0.0 0 0.0 11 37
181 181 TYR Y E E >A N >T - 0 186 -112.5 100.7 -178.0 -173.9 7.3 160.3 186 -2.5 186 -1.4 0 0.0 185 -1.2 12 32
182 182 PRO P T T 4 5TS+ 0 0 -65.3 -32.1 179.0 59.3 83.9 31.8 0 0.0 0 0.0 0 0.0 0 0.0 9 25
183 183 SER S T T 4 5TS+ 0 0 -57.9 -43.3 -174.1 31.8 118.4 26.5 0 0.0 0 0.0 0 0.0 0 0.0 7 21
184 184 GLN Q T T 4 5TS- 0 0 -93.7 -14.9 -176.3 -132.5 99.0 65.6 0 0.0 0 0.0 0 0.0 0 0.0 5 20
185 185 ARG R T T < 5T + 0 0 59.9 27.7 -177.9 137.4 64.6 39.5 181 -1.2 0 0.0 0 0.0 0 0.0 7 20
186 186 THR T E E AN T - 0 0 -92.7 100.5 -178.6 -175.8 15.8 142.2 0 0.0 199 -0.5 0 0.0 0 0.0 7 41
196 196 LEU L H H > > TS+ 0 0 -62.6 -34.7 -179.0 64.4 79.6 36.3 194 -1.0 200 -1.9 0 0.0 199 -0.7 10 53
197 197 LYS K H H 4 3 TS+ 0 0 -61.3 -31.2 178.5 35.6 111.6 27.6 0 0.0 0 0.0 0 0.0 0 0.0 9 41
198 198 THR T H H 4 3 TS+ 0 0 -100.1 -2.8 -174.1 43.7 121.9 61.5 0 0.0 0 0.0 0 0.0 0 0.0 5 33
199 199 SER S H H < < TS+ 0 0 -120.1 -10.4 177.7 37.5 110.5 60.1 196 -0.7 0 0.0 195 -0.5 0 0.0 11 44
200 200 LEU L S h < TS- 0 0 -139.2 160.5 174.2 -108.0 76.8 166.5 196 -1.9 0 0.0 0 0.0 0 0.0 14 46
201 201 PRO P - 0 0 -77.1 167.2 -174.1 -99.5 45.1 104.5 0 0.0 0 0.0 0 0.0 0 0.0 11 38
202 202 GLU E S e S+ 0 0 -58.0 -40.5 -179.9 38.5 110.4 31.6 0 0.0 59 -2.4 0 0.0 60 -1.5 10 42
203 203 TRP W E E BF S+ 58 0 -115.0 136.3 -177.9 164.5 73.7 165.3 0 0.0 97 -0.6 0 0.0 0 0.0 12 46
204 204 VAL V E E BFI - 57 96 -143.9 166.4 166.6 -124.8 33.8 155.9 57 -3.1 57 -3.8 0 0.0 0 0.0 14 49
205 205 ARG R E E B I - 0 95 -106.9 148.1 179.2 -148.8 27.2 146.5 95 -2.2 95 -2.3 0 0.0 0 0.0 15 53
206 206 ILE I E E B I + 0 94 -114.1 152.4 179.8 114.9 34.2 151.8 0 0.0 53 -2.2 0 0.0 0 0.0 12 65
207 207 GLY G E E BEI - 52 93 178.4 -167.2 180.0 -62.5 49.3 165.8 93 -2.4 93 -2.9 0 0.0 0 0.0 11 73
208 208 PHE F E E BEI + 51 92 -116.1 148.0 178.7 178.4 28.3 154.3 51 -2.6 51 -2.5 0 0.0 0 0.0 11 78
209 209 SER S E E BEI + 50 91 -145.5 133.3 178.8 170.8 6.5 174.0 91 -2.1 91 -2.5 0 0.0 0 0.0 16 73
210 210 ALA A E E BEI - 49 90 -147.3 149.7 -178.5 -163.8 10.5 172.1 49 -2.0 49 -1.5 0 0.0 0 0.0 16 71
211 211 ALA A E E BEI - 48 89 -134.8 143.4 171.8 -141.6 11.5 174.5 89 -2.1 89 -1.5 0 0.0 0 0.0 19 68
212 212 THR T E E B I - 0 88 -93.6 164.7 -176.3 -65.0 52.1 125.7 47 -1.3 0 0.0 0 0.0 0 0.0 20 62
213 213 GLY G e - 0 0 -49.7 147.0 178.1 -119.6 44.0 91.3 87 -1.2 46 -2.1 0 0.0 0 0.0 16 51
214 214 LEU L S S S- 0 0 -49.5 -62.7 -175.3 -0.1 106.2 17.7 0 0.0 0 0.0 0 0.0 0 0.0 11 36
215 215 ASP D S S S+ 0 0 -114.2 3.0 177.6 63.4 131.6 78.6 0 0.0 0 0.0 0 0.0 0 0.0 6 25
216 216 ILE I S S S- 0 0 -128.1 164.2 -175.3 -120.0 82.9 161.2 0 0.0 0 0.0 0 0.0 0 0.0 10 37
217 217 PRO P + 0 0 -73.5 -30.7 -179.1 171.0 42.6 30.6 0 0.0 0 0.0 0 0.0 0 0.0 15 43
218 218 GLY G - 0 0 59.4 -114.4 176.6 -40.6 53.6 117.1 0 0.0 0 0.0 0 0.0 0 0.0 15 54
219 219 GLU E - 0 0 -145.1 153.5 174.6 -123.8 49.2 171.0 87 -1.9 0 0.0 0 0.0 0 0.0 15 61
220 220 SER S E E A G - 0 79 -88.8 161.2 -178.1 -144.1 25.3 124.6 79 -2.1 79 -0.9 0 0.0 0 0.0 16 71
221 221 HIS H E E A G - 0 78 -137.4 127.8 -178.9 -178.3 16.3 171.3 0 0.0 34 -1.8 0 0.0 0 0.0 14 74
222 222 ASP D E E ADG - 33 77 -128.2 135.8 175.4 -153.0 14.4 169.6 77 -3.4 77 -2.7 0 0.0 0 0.0 12 62
223 223 VAL V E E ADG - 32 76 -107.3 132.9 -172.7 -176.9 10.2 159.1 32 -2.3 32 -2.7 0 0.0 0 0.0 13 64
224 224 LEU L E E A * + 0 0 -102.7 -29.7 -177.8 4.2 61.3 47.5 75 -3.1 0 0.0 0 0.0 0 0.0 14 49
225 225 SER S E E A G - 0 75 -155.6 163.8 -176.6 -156.7 57.3 170.1 75 -1.0 75 -0.8 0 0.0 0 0.0 13 43
226 226 TRP W E E AAG + 8 74 -154.6 133.0 174.9 176.0 9.2 163.8 8 -1.8 8 -1.4 0 0.0 0 0.0 13 51
227 227 SER S E E AAG + 7 73 -134.6 149.8 -175.7 174.0 9.4 165.1 73 -2.9 73 -1.8 0 0.0 0 0.0 11 41
228 228 PHE F E E AAG + 6 72 -162.9 135.6 179.2 179.7 10.4 156.1 6 -2.9 6 -1.9 0 0.0 0 0.0 11 49
229 229 ALA A E E AAG - 5 71 -141.3 132.7 -178.3 -177.0 4.2 174.2 71 -2.9 71 -2.1 0 0.0 0 0.0 11 40
230 230 SER S E E AAG - 4 70 -130.5 140.9 -178.7 -168.9 6.0 169.7 4 -2.6 4 -1.7 0 0.0 0 0.0 11 46
231 231 ASN N E E AAG - 3 69 -135.1 107.6 -178.5 -171.8 2.0 159.1 69 -2.7 69 -1.9 0 0.0 0 0.0 11 35
232 232 LEU L E E AA - 2 0 -102.9 118.0 -170.7 -137.0 23.6 152.9 2 -3.3 2 -1.3 0 0.0 0 0.0 14 37
233 233 PRO P 0 0 -87.7 151.9 175.9 999.9 999.9 117.4 0 0.0 0 0.0 0 0.0 0 0.0 8 28
234 234 HIS H 0 0 -63.8 999.9 999.9 999.9 999.9 13.5 0 0.0 0 0.0 0 0.0 0 0.0 6 21
1sbf-.pdb
1SBF LECTIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEEEESS TT TTEEEEET EE TTS EE S B TTS B TT EEEEEESS EE B TTT B EEEEEEEEEEE SSTTS EEEEEEEEETT Kabs/Sand
chirality ++++-+-+---++-++--+--++---+-+---+----+-+---++-+-----+---+---++-+---+---+-+-----+-+++------+-+--++-- chirality
bends SS SS SS SS SSS S SSS SS SS SSS SSSSS SS bends
turns TTTTTTT TTTT TTTT TTTT TTTT TTTTT TTTT TTTT turns
5-turns 5-turns
3-turns >33X33< >33< >33< >33< >33< >33< >33< 3-turns
bridge-2 DD EEEEE HHHHHHH JJJJJJ bridge-2
bridge-1 AAAAAAA BBBBB CC CC A A BBBBB FF B B GGGGGGGGGGG IIIIIIIII bridge-1
sheets AAAAAAA BBBBB AA AA BBBBBB BB AAAAAAAAAAA BBBBBBBBB sheets
4-turns >444< 4-turns
summary EEEEEEESS tTTtTeEEEEEetEEeTTteEEeS BtTTt BtTTeEEEEEEeS EEeBtTTTt B EEEEEEEEEEE StTTt eEEEEEEEEEeTt summary
sequence AETVSFSWNKFVPKQPNMILQGDAIVTSSGKLQLNKVDENGTPKPSSLGRALYSTPIHIWDKETGSVASFAASFNFTFYAPDTKRLADGLAFFLAPIDTK sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand GGGTTT TTS S EEEEEE S TT SSSEEEEEESSSS SEEEE TT EEEEEEE TTT EEEEEEEETTTTEEEEEEEE HHHHS Kabs/Sand
chirality ---+++--++--++----+-+----++-+-++--+-+------+-+--+---------+----------++-+---+----++-+----++----++++- chirality
bends SSS SS SSS S S SS SSS SSSSS SS SS SSS SSS SSSSS bends
turns TTTTTTTTTTTT TTTT TTTT TTTTT TTTTTT TTTTTT turns
5-turns >5555< 5-turns
3-turns >>3X<3< >33< >33< >33< >33< >33< 3-turns
bridge-2 KKKKKK LLLL MMMMMM NNNNNNNN bridge-2
bridge-1 JJJJJJ KKKKKK LLLL HHHHHHH MMMMMM NNNNNNNN bridge-1
sheets BBBBBB BBBBBB BBBB AAAAAAA AAAAAAAA AAAAAAAA sheets
4-turns >444< >444< >444< >>44<< 4-turns
summary gGGGgTTttTTt SeEEEEEEeS tTTt SSeEEEEEEeSSS SEEEEe tTTt EEEEEEEeTTTeEEEEEEEETTTTEEEEEEEEehHHHHh summary
sequence PQTHAGYLGLFNENESGDQVVAVEFDTFRNSWDPPNPHIGINVNSIRSIKTTSWDLANNKVAKVLITYDASTSLLVASLVYPSQRTSNILSDVVDLKTSL sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand SEEEEEEEEEE SSS EEEEEEEEEEEEE Kabs/Sand
chirality -++--+-++-----+-+------+-+++---- chirality
bends SS SSS bends
turns turns
5-turns 5-turns
3-turns 3-turns
bridge-2 IIIIIIIII GGGG*GGGGGGG bridge-2
bridge-1 FF EEEEE DD AAAAAAA bridge-1
sheets BBBBBBBBBB AAAAAAAAAAAAA sheets
4-turns 4-turns
summary eEEEEEEEEEEeSSS EEEEEEEEEEEEE summary
sequence PEWVRIGFSAATGLDIPGESHDVLSWSFASNLPH sequence
210 220 230