Secondary structure calculation program - copyright by David Keith Smith, 1989
1dm0A.pdb
1DM0 TOXIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 264
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 LYS K e 0 0 999.9 19.9 169.2 999.9 999.9 999.9 0 0.0 47 -2.3 0 0.0 0 0.0 5 29
2 A 2 GLU E E E Aa - 47 0 -156.8 122.2 -180.0 -176.1 999.9 152.7 0 0.0 0 0.0 0 0.0 0 0.0 7 38
3 A 3 PHE F E E Aa - 48 0 -111.7 166.7 -178.2 -124.6 21.2 137.2 47 -2.4 49 -3.9 0 0.0 0 0.0 11 40
4 A 4 THR T E E Aa - 49 0 -112.7 154.5 174.3 -156.5 8.2 152.2 0 0.0 6 -0.5 0 0.0 0 0.0 9 45
5 A 5 LEU L E E Aa - 50 0 -129.5 98.5 -179.2 -166.5 14.5 156.8 49 -2.7 51 -2.1 0 0.0 7 -1.0 12 57
6 A 6 ASP D E E Aa - 51 0 -89.1 105.8 -179.7 -173.7 8.8 138.7 4 -0.5 0 0.0 0 0.0 0 0.0 11 52
7 A 7 PHE F e + 0 0 -84.1 21.8 -177.5 112.9 51.5 78.4 51 -2.7 0 0.0 5 -1.0 0 0.0 12 57
8 A 8 SER S S S S- 0 0 -53.0 -73.2 177.8 -0.8 84.2 10.5 0 0.0 0 0.0 0 0.0 0 0.0 13 38
9 A 9 THR T S h > TS- 0 0 -113.5 168.9 171.9 -102.5 76.1 139.7 0 0.0 13 -2.6 0 0.0 0 0.0 9 35
10 A 10 ALA A H H > TS+ 0 0 -59.4 -11.9 -176.5 46.3 127.0 45.4 0 0.0 14 -1.1 0 0.0 0 0.0 12 37
11 A 11 LYS K H H > TS+ 0 0 -97.8 -41.8 178.9 51.9 106.4 34.5 0 0.0 15 -2.0 0 0.0 0 0.0 8 30
12 A 12 THR T H H > TS+ 0 0 -57.5 -42.1 -179.4 50.1 114.5 25.2 0 0.0 16 -1.9 0 0.0 0 0.0 10 34
13 A 13 TYR Y H H X TS+ 0 0 -64.5 -62.0 -176.7 37.9 113.8 17.9 9 -2.6 17 -2.5 0 0.0 0 0.0 13 49
14 A 14 VAL V H H X TS+ 0 0 -62.3 -34.0 -178.3 58.8 113.4 32.7 10 -1.1 18 -2.2 0 0.0 0 0.0 10 46
15 A 15 ASP D H H X TS+ 0 0 -59.7 -46.6 175.6 42.7 110.2 21.9 11 -2.0 19 -1.3 0 0.0 0 0.0 8 35
16 A 16 SER S H H X TS+ 0 0 -63.2 -51.1 175.4 55.9 109.6 24.1 12 -1.9 20 -1.8 0 0.0 0 0.0 12 40
17 A 17 LEU L H H X TS+ 0 0 -50.7 -40.1 179.0 50.7 108.5 24.8 13 -2.5 21 -1.7 0 0.0 0 0.0 10 53
18 A 18 ASN N H H X TS+ 0 0 -68.4 -31.8 -178.5 59.3 102.9 27.4 14 -2.2 22 -2.3 0 0.0 0 0.0 8 47
19 A 19 VAL V H H X TS+ 0 0 -60.2 -46.8 177.0 44.4 108.1 19.3 15 -1.3 23 -1.4 0 0.0 0 0.0 9 39
20 A 20 ILE I H H X TS+ 0 0 -64.7 -40.8 179.5 46.6 114.7 34.6 16 -1.8 24 -1.9 0 0.0 0 0.0 9 52
21 A 21 ARG R H H X TS+ 0 0 -70.5 -45.5 179.4 48.4 113.7 23.7 17 -1.7 25 -1.3 0 0.0 0 0.0 11 51
22 A 22 SER S H H < TS+ 0 0 -59.2 -35.5 -177.9 48.1 115.8 32.2 18 -2.3 0 0.0 0 0.0 0 0.0 9 35
23 A 23 ALA A H H < TS+ 0 0 -76.4 -35.4 -178.4 30.9 120.2 39.2 19 -1.4 0 0.0 0 0.0 0 0.0 6 39
24 A 24 ILE I H H < TS+ 0 0 -108.5 6.6 -176.0 41.9 117.6 73.5 20 -1.9 42 -1.4 0 0.0 0 0.0 9 42
25 A 25 GLY G E E T - 38 0 -137.2 108.8 -178.1 -164.2 4.7 161.2 38 -1.4 31 -1.2 0 0.0 38 -0.7 10 39
29 A 29 GLN Q E E B* 3 TS+ 0 0 -69.2 -12.2 178.4 74.8 88.8 51.8 0 0.0 0 0.0 0 0.0 0 0.0 7 28
30 A 30 THR T E E B* 3 TS+ 0 0 -64.8 -38.7 176.1 40.9 102.4 28.0 0 0.0 32 -0.6 0 0.0 0 0.0 7 31
31 A 31 ILE I E E B* < TS+ 0 0 -112.5 91.9 -178.4 129.8 87.1 141.3 28 -1.2 38 -1.9 0 0.0 0 0.0 9 42
32 A 32 SER S E E BB + 37 0 -148.5 139.2 175.7 160.9 20.0 172.5 30 -0.6 0 0.0 0 0.0 0 0.0 12 34
33 A 33 SER S E E BB > TS+ 36 0 -156.7 136.9 179.0 2.1 72.2 162.0 36 -1.8 36 -1.4 0 0.0 0 0.0 9 26
34 A 34 GLY G T T 3 TS- 0 0 63.0 23.5 -178.4 -60.3 127.4 42.2 0 0.0 0 0.0 0 0.0 0 0.0 4 19
35 A 35 GLY G T T 3 TS+ 0 0 74.2 18.8 168.6 115.4 112.1 43.9 0 0.0 0 0.0 0 0.0 0 0.0 5 21
36 A 36 THR T E E BB < T - 33 0 -112.2 148.2 180.0 -170.4 45.9 153.4 33 -1.4 33 -1.8 0 0.0 0 0.0 7 32
37 A 37 SER S E E BB - 32 0 -132.6 156.6 175.7 -108.6 29.6 165.8 0 0.0 0 0.0 0 0.0 0 0.0 12 38
38 A 38 LEU L E E BB - 28 0 -81.9 137.8 -178.3 -148.9 37.5 133.6 31 -1.9 28 -1.4 28 -0.7 0 0.0 14 53
39 A 39 LEU L E E BBc - 27 229 -109.4 139.4 179.8 -149.6 2.5 161.4 228 -2.0 230 -2.1 0 0.0 0 0.0 13 51
40 A 40 MET M E E BBc - 26 230 -108.6 139.6 -175.5 -121.7 19.9 147.0 26 -3.6 26 -1.4 0 0.0 0 0.0 12 50
41 A 41 ILE I E E BB 25 0 -76.4 160.8 173.1 999.9 999.9 115.3 230 -3.4 0 0.0 0 0.0 0 0.0 11 47
42!A 42 ASP D e 0 0 -157.8 999.9 999.9 999.9 999.9 178.9 24 -1.4 0 0.0 0 0.0 0 0.0 9 33
43!A 47 ASP D 0 0 999.9 164.4 -176.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 30
44 A 48 ASN N e - 0 0 170.2 -168.8 178.6 -90.3 999.9 167.8 0 0.0 69 -2.2 0 0.0 0 0.0 6 31
45 A 49 LEU L E E A D - 0 68 -130.9 172.2 -175.3 -175.4 26.5 133.9 0 0.0 0 0.0 0 0.0 0 0.0 10 41
46 A 50 PHE F E E A D - 0 67 -165.1 152.1 -178.4 -115.8 23.7 165.2 67 -1.5 67 -3.0 0 0.0 0 0.0 11 45
47 A 51 ALA A E E AaD - 2 66 -96.5 159.8 175.5 -157.5 14.2 134.3 1 -2.3 3 -2.4 0 0.0 0 0.0 11 56
48 A 52 VAL V E E AaD - 3 65 -132.7 117.7 178.7 -143.8 13.8 169.0 65 -1.5 65 -2.1 0 0.0 50 -0.8 12 53
49 A 53 ASP D E E AaD - 4 64 -90.3 112.7 -178.2 -145.3 11.6 140.0 3 -3.9 5 -2.7 0 0.0 0 0.0 11 49
50 A 54 VAL V E E Aa + 5 0 -72.1 139.7 -172.7 160.3 33.2 124.0 63 -0.9 0 0.0 48 -0.8 0 0.0 13 61
51 A 55 ARG R E E Aa + 6 0 -168.1 128.7 176.2 44.2 34.6 152.8 5 -2.1 7 -2.7 0 0.0 0 0.0 12 49
52 A 56 GLY G + 0 0 109.3 26.9 -179.5 140.6 46.5 46.9 0 0.0 0 0.0 0 0.0 0 0.0 12 48
53 A 57 ILE I S S S+ 0 0 -72.9 -19.6 173.5 14.9 92.4 45.5 0 0.0 0 0.0 0 0.0 0 0.0 11 49
54 A 58 ASP D S t > TS- 0 0 -152.8 81.3 -176.8 -175.5 74.7 122.6 0 0.0 58 -2.2 0 0.0 0 0.0 11 34
55 A 59 PRO P T T 4 TS+ 0 0 -53.0 -31.4 178.9 63.3 78.3 47.1 0 0.0 0 0.0 0 0.0 0 0.0 7 26
56 A 60 GLU E T T 4 TS+ 0 0 -57.7 -60.7 -179.2 27.3 117.5 2.4 0 0.0 0 0.0 0 0.0 0 0.0 4 18
57 A 61 GLU E T T 4 TS- 0 0 -62.5 -67.7 -176.9 -156.4 81.8 15.5 0 0.0 0 0.0 0 0.0 0 0.0 5 17
58 A 62 GLY G t < T + 0 0 86.6 33.0 -172.8 124.7 51.9 40.7 54 -2.2 0 0.0 0 0.0 0 0.0 9 22
59 A 63 ARG R + 0 0 -93.5 -37.6 -174.8 75.4 44.0 35.8 0 0.0 61 -1.9 0 0.0 0 0.0 5 25
60 A 64 PHE F + 0 0 -83.7 69.0 -174.6 124.3 57.8 115.0 0 0.0 0 0.0 0 0.0 0 0.0 11 38
61 A 65 ASN N + 0 0 -112.5 2.8 -179.2 87.0 37.0 65.2 59 -1.9 0 0.0 0 0.0 0 0.0 8 41
62 A 66 ASN N + 0 0 -97.3 35.6 177.0 106.4 61.9 88.4 0 0.0 81 -0.5 0 0.0 0 0.0 9 45
63 A 67 LEU L e + 0 0 -108.6 137.3 -177.5 169.2 37.2 148.0 0 0.0 50 -0.9 0 0.0 0 0.0 14 57
64 A 68 ARG R E E ADE - 49 78 -150.7 121.9 -177.4 -153.5 19.3 162.2 78 -1.0 78 -2.5 0 0.0 0 0.0 12 61
65 A 69 LEU L E E ADE - 48 77 -103.1 128.3 179.1 -137.7 14.1 158.6 48 -2.1 48 -1.5 0 0.0 67 -0.5 12 66
66 A 70 ILE I E E ADE - 47 76 -86.1 123.1 -173.8 -168.0 26.0 140.7 76 -2.0 76 -0.8 0 0.0 75 -0.6 14 60
67 A 71 VAL V E E ADE - 46 74 -117.9 146.6 -175.4 -131.3 19.1 146.2 46 -3.0 46 -1.5 65 -0.5 69 -0.6 13 57
68 A 72 GLU E E E >ADE >T - 45 73 -100.0 115.2 -171.4 -143.4 18.4 152.7 73 -2.0 72 -2.4 0 0.0 73 -0.6 13 53
69 A 73 ARG R T e 4 5TS+ 0 0 -47.5 -57.8 -175.7 47.1 87.7 29.0 44 -2.2 0 0.0 67 -0.6 0 0.0 12 49
70 A 74 ASN N T T 4 5TS+ 0 0 -60.5 -42.4 179.6 16.9 130.1 22.4 0 0.0 0 0.0 0 0.0 0 0.0 9 41
71 A 75 ASN N T T 4 5TS- 0 0 -106.7 -3.5 -174.7 -123.7 94.0 56.4 0 0.0 0 0.0 0 0.0 0 0.0 9 53
72 A 76 LEU L T T < 5T + 0 0 60.7 35.4 176.2 169.2 49.1 34.6 68 -2.4 0 0.0 0 0.0 0 0.0 8 60
73 A 77 TYR Y E E AE > T - 0 0 -114.2 75.7 -177.8 -164.6 10.0 127.2 84 -1.4 82 -2.8 0 0.0 83 -1.6 12 47
80 A 84 ARG R T T 4 3 TS+ 0 0 -34.6 -18.8 177.3 66.8 84.3 54.5 78 -0.6 0 0.0 0 0.0 0 0.0 9 39
81 A 85 THR T T T 4 3 TS+ 0 0 -74.3 -39.4 -178.5 6.4 126.0 17.6 62 -0.5 0 0.0 0 0.0 0 0.0 5 29
82 A 86 ASN N T T 4 < TS- 0 0 -120.0 2.5 -177.6 -124.0 96.8 74.7 79 -2.8 0 0.0 0 0.0 0 0.0 5 26
83 A 87 ASN N e < T + 0 0 55.5 31.8 172.1 149.2 57.1 39.5 79 -1.6 100 -1.7 0 0.0 85 -0.6 10 34
84 A 88 VAL V E E A g - 0 100 -97.0 127.4 -178.1 -152.8 35.5 145.3 0 0.0 79 -1.4 0 0.0 86 -0.5 11 38
85 A 89 PHE F E E AFg - 78 101 -95.6 120.2 177.1 -155.8 4.5 151.6 100 -2.6 102 -1.8 83 -0.6 87 -0.7 13 53
86 A 90 TYR Y E E AFg - 77 102 -101.5 109.2 -175.6 -166.4 15.8 153.5 77 -2.7 77 -1.6 84 -0.5 0 0.0 11 56
87 A 91 ARG R E E AFg - 76 103 -98.1 150.2 -179.2 -107.9 23.5 133.1 102 -1.5 104 -2.7 85 -0.7 0 0.0 15 55
88 A 92 PHE F e > T - 0 0 -69.0 149.9 -179.9 -104.9 38.9 116.2 75 -2.2 91 -3.1 0 0.0 0 0.0 14 51
89 A 93 ALA A G G > TS+ 0 0 -53.2 -15.1 177.9 61.0 119.0 51.7 106 -3.0 92 -0.6 0 0.0 0 0.0 11 39
90 A 94 ASP D G G 3 TS+ 0 0 -89.6 -0.9 -179.9 50.3 104.1 63.0 0 0.0 0 0.0 0 0.0 0 0.0 9 37
91 A 95 PHE F G G X T + 0 0 -124.1 39.0 -174.9 140.5 68.0 99.4 88 -3.1 94 -2.5 0 0.0 0 0.0 9 40
92 A 96 SER S T g < TS+ 0 0 -63.9 -2.1 -177.7 40.8 75.9 62.0 89 -0.6 0 0.0 0 0.0 0 0.0 8 34
93 A 97 HIS H T T 3 TS+ 0 0 -128.3 4.5 -179.2 111.6 87.4 74.5 0 0.0 0 0.0 0 0.0 0 0.0 4 30
94 A 98 VAL V t < T - 0 0 -78.0 153.3 177.8 -173.4 47.2 123.9 91 -2.5 0 0.0 0 0.0 0 0.0 7 40
95 A 99 THR T - 0 0 -149.1 151.1 179.3 -150.8 18.5 177.4 0 0.0 0 0.0 0 0.0 0 0.0 6 41
96 A 100 PHE F t > T - 0 0 -127.5 128.6 177.3 -106.6 31.6 166.6 0 0.0 99 -1.0 0 0.0 0 0.0 8 41
97 A 101 PRO P T T 3 TS+ 0 0 -47.4 138.5 179.7 23.0 102.0 96.1 0 0.0 0 0.0 0 0.0 0 0.0 4 32
98 A 102 GLY G T T 3 TS+ 0 0 77.0 22.0 -178.9 90.7 107.0 47.4 0 0.0 0 0.0 0 0.0 0 0.0 5 26
99 A 103 THR T t < T - 0 0 -146.9 157.2 171.6 -129.8 66.0 173.6 96 -1.0 0 0.0 0 0.0 0 0.0 10 31
100 A 104 THR T E E Ag - 84 0 -93.2 162.1 -178.5 -131.1 34.5 120.6 83 -1.7 85 -2.6 0 0.0 0 0.0 7 30
101 A 105 ALA A E E Ag - 85 0 -119.6 146.8 178.9 -177.7 22.1 158.6 0 0.0 0 0.0 0 0.0 0 0.0 9 38
102 A 106 VAL V E E Ag - 86 0 -146.7 123.1 -173.7 -130.8 25.8 166.2 85 -1.8 87 -1.5 0 0.0 0 0.0 10 40
103 A 107 THR T E E Ag - 87 0 -88.6 122.0 -176.3 -136.3 14.5 135.9 0 0.0 0 0.0 0 0.0 0 0.0 10 38
104 A 108 LEU L e - 0 0 -75.7 150.4 -178.1 -124.0 17.0 111.9 87 -2.7 0 0.0 0 0.0 0 0.0 13 43
105 A 109 SER S S S S+ 0 0 -72.8 -10.9 178.4 54.2 90.0 61.7 144 -0.9 0 0.0 0 0.0 0 0.0 9 36
106 A 110 GLY G S S S- 0 0 -121.9 159.3 -179.4 -121.9 79.5 149.3 0 0.0 89 -3.0 0 0.0 0 0.0 11 40
107 A 111 ASP D - 0 0 -91.1 -179.1 -176.8 -104.8 31.4 108.8 0 0.0 0 0.0 0 0.0 0 0.0 11 42
108 A 112 SER S S S S+ 0 0 -87.1 -9.0 -177.9 125.2 71.7 65.2 0 0.0 0 0.0 0 0.0 0 0.0 11 53
109 A 113 SER S h > T - 0 0 -49.7 151.8 -179.5 -127.4 66.6 97.4 0 0.0 113 -2.5 0 0.0 0 0.0 6 47
110 A 114 TYR Y H H > TS+ 0 0 -71.1 -28.9 -178.3 68.0 107.9 27.6 0 0.0 114 -2.9 0 0.0 0 0.0 8 44
111 A 115 THR T H H > TS+ 0 0 -51.4 -48.5 177.0 31.9 110.8 27.9 0 0.0 115 -1.0 0 0.0 0 0.0 6 29
112 A 116 THR T H H > TS+ 0 0 -75.3 -54.1 -179.1 53.9 116.2 24.8 0 0.0 116 -2.8 0 0.0 0 0.0 10 32
113 A 117 LEU L H H X TS+ 0 0 -53.4 -32.3 -175.9 45.6 114.5 35.5 109 -2.5 117 -1.8 0 0.0 0 0.0 16 42
114 A 118 GLN Q H H X >TS+ 0 0 -83.4 -29.9 178.1 53.4 110.9 31.8 110 -2.9 119 -1.0 0 0.0 118 -0.7 14 35
115 A 119 ARG R H H < 5TS+ 0 0 -61.7 -59.7 -179.9 36.1 116.8 8.1 111 -1.0 0 0.0 0 0.0 0 0.0 9 29
116 A 120 VAL V H H < 5TS+ 0 0 -58.6 -60.2 177.9 48.5 117.2 17.2 112 -2.8 0 0.0 0 0.0 0 0.0 12 31
117 A 121 ALA A H H < 5TS- 0 0 -56.1 -15.7 179.7 -136.2 103.9 45.7 113 -1.8 0 0.0 0 0.0 0 0.0 12 37
118 A 122 GLY G T h < 5T + 0 0 60.6 36.4 175.0 109.9 63.8 31.7 114 -0.7 0 0.0 0 0.0 0 0.0 9 28
119 A 123 ILE I t TS+ 0 0 -60.0 -40.4 -178.8 92.1 84.3 25.3 0 0.0 124 -3.3 0 0.0 123 -0.8 9 42
122 A 126 THR T T T 3 TS+ 0 0 -62.0 104.6 179.8 7.6 105.3 112.2 0 0.0 0 0.0 0 0.0 0 0.0 8 32
123 A 127 GLY G T T 3 TS+ 0 0 107.1 -1.6 -176.8 157.0 89.8 69.4 183 -3.4 0 0.0 121 -0.8 0 0.0 9 28
124 A 128 MET M e < T - 0 0 -61.4 135.6 177.8 -143.4 31.8 109.4 121 -3.3 183 -2.5 0 0.0 0 0.0 11 45
125 A 129 GLN Q E E CH - 182 0 -98.2 150.7 178.2 -178.1 18.9 137.3 0 0.0 0 0.0 0 0.0 0 0.0 8 43
126 A 130 ILE I E E CH + 181 0 -149.8 128.9 174.4 148.5 12.1 165.8 181 -2.0 181 -2.6 0 0.0 0 0.0 12 47
127 A 131 ASN N h > T - 0 0 -142.6 -176.3 178.5 -83.9 62.2 147.6 0 0.0 131 -1.9 0 0.0 0 0.0 10 42
128 A 132 ARG R H H > TS+ 0 0 -58.7 -37.3 -176.1 54.7 125.7 30.8 0 0.0 132 -2.2 0 0.0 0 0.0 11 44
129 A 133 HIS H H H > > TS+ 0 0 -63.6 -66.3 177.4 41.9 108.5 6.0 0 0.0 133 -3.0 0 0.0 132 -0.5 7 33
130 A 134 SER S H H > 3 TS+ 0 0 -48.8 -37.8 179.2 54.7 114.4 37.5 0 0.0 134 -2.2 0 0.0 0 0.0 8 41
131 A 135 LEU L H H X 3 TS+ 0 0 -67.6 -38.9 178.1 45.7 110.0 27.6 127 -1.9 135 -2.2 0 0.0 0 0.0 13 54
132 A 136 THR T H H X < TS+ 0 0 -64.1 -57.9 175.4 44.4 117.6 6.6 128 -2.2 136 -2.0 129 -0.5 0 0.0 11 44
133 A 137 THR T H H X TS+ 0 0 -46.2 -45.9 -175.7 53.8 111.1 34.8 129 -3.0 137 -1.9 0 0.0 0 0.0 8 37
134 A 138 SER S H H X TS+ 0 0 -65.3 -33.4 176.1 54.5 105.4 25.8 130 -2.2 138 -1.2 0 0.0 0 0.0 11 47
135 A 139 TYR Y H H X TS+ 0 0 -65.4 -44.2 176.0 52.2 106.6 26.6 131 -2.2 139 -1.8 0 0.0 0 0.0 11 53
136 A 140 LEU L H H X TS+ 0 0 -62.0 -48.7 179.2 52.0 105.0 17.4 132 -2.0 140 -2.2 0 0.0 0 0.0 8 40
137 A 141 ASP D H H < TS+ 0 0 -58.8 -24.9 -179.5 46.4 113.5 30.2 133 -1.9 0 0.0 0 0.0 0 0.0 11 37
138 A 142 LEU L H H < > TS+ 0 0 -78.7 -37.4 -172.5 51.1 111.5 33.3 134 -1.2 141 -0.5 0 0.0 0 0.0 10 53
139 A 143 MET M H H < 3 TS+ 0 0 -72.3 -28.5 -177.6 48.1 110.5 36.6 135 -1.8 0 0.0 0 0.0 0 0.0 9 45
140 A 144 SER S T h < 3 TS+ 0 0 -93.9 -2.7 179.2 114.1 85.4 62.2 136 -2.2 0 0.0 0 0.0 0 0.0 6 36
141 A 145 HIS H t < T + 0 0 -76.3 126.2 171.9 164.7 32.8 125.2 138 -0.5 0 0.0 0 0.0 0 0.0 7 42
142 A 146 SER S + 0 0 -129.0 142.7 177.4 49.8 40.1 160.6 0 0.0 0 0.0 0 0.0 0 0.0 4 35
143 A 147 GLY G S S S- 0 0 121.8 175.6 -175.1 -80.2 82.2 119.5 0 0.0 0 0.0 0 0.0 0 0.0 6 33
144 A 148 THR T S S S+ 0 0 -85.7 -54.1 -178.5 86.9 85.2 19.4 0 0.0 105 -0.9 0 0.0 0 0.0 8 34
145 A 149 SER S S S S- 0 0 -52.4 146.0 173.8 -126.2 72.4 96.0 0 0.0 147 -1.3 0 0.0 0 0.0 7 37
146 A 150 LEU L - 0 0 -96.2 93.5 178.4 -165.5 41.2 135.4 0 0.0 0 0.0 0 0.0 0 0.0 10 46
147 A 151 THR T h > > T - 0 0 -75.8 165.5 -179.7 -104.0 34.4 107.6 145 -1.3 151 -2.9 0 0.0 150 -0.7 8 40
148 A 152 GLN Q H H > 3 TS+ 0 0 -58.4 -30.9 178.7 54.3 121.4 36.6 0 0.0 152 -2.3 0 0.0 0 0.0 9 39
149 A 153 SER S H H > 3 TS+ 0 0 -73.2 -35.2 176.6 41.1 110.6 38.7 0 0.0 153 -0.7 0 0.0 0 0.0 9 39
150 A 154 VAL V H H > < TS+ 0 0 -78.6 -35.7 178.4 57.8 114.6 30.1 147 -0.7 154 -1.4 0 0.0 0 0.0 12 59
151 A 155 ALA A H H X > TS+ 0 0 -55.0 -65.0 178.5 44.3 106.2 16.9 147 -2.9 155 -2.2 0 0.0 154 -1.1 13 55
152 A 156 ARG R H H X 3 TS+ 0 0 -50.3 -31.0 -176.5 50.4 115.4 44.4 148 -2.3 156 -1.5 0 0.0 0 0.0 15 52
153 A 157 ALA A H H X 3 TS+ 0 0 -83.1 -27.0 179.6 48.5 109.1 48.4 149 -0.7 157 -1.5 0 0.0 0 0.0 13 59
154 A 158 MET M H H X < TS+ 0 0 -84.3 -33.0 171.6 57.8 106.3 36.1 150 -1.4 158 -2.6 151 -1.1 0 0.0 9 69
155 A 159 LEU L H H X TS+ 0 0 -56.8 -51.1 178.9 44.8 111.9 11.7 151 -2.2 159 -1.7 0 0.0 0 0.0 12 62
156 A 160 ARG R H H X TS+ 0 0 -62.7 -42.6 -175.2 39.1 117.4 31.6 152 -1.5 160 -1.5 0 0.0 0 0.0 11 66
157 A 161 PHE F H H X TS+ 0 0 -81.0 -26.9 -178.5 56.8 111.4 41.3 153 -1.5 161 -1.1 0 0.0 0 0.0 9 71
158 A 162 VAL V H H X >TS+ 0 0 -69.2 -30.2 179.0 51.2 109.5 23.9 154 -2.6 163 -1.9 0 0.0 162 -1.0 10 66
159 A 163 THR T H H < >TS+ 0 0 -69.4 -45.8 179.8 38.1 113.1 25.4 155 -1.7 164 -2.5 0 0.0 0 0.0 9 70
160 A 164 VAL V H H < 5TS+ 0 0 -84.8 -11.6 176.9 39.7 126.8 54.7 156 -1.5 0 0.0 0 0.0 0 0.0 12 74
161 A 165 THR T H H X 5TS+ 0 0 -99.1 -75.4 178.1 12.9 130.4 34.5 157 -1.1 165 -1.2 0 0.0 0 0.0 8 69
162 A 166 ALA A H H X 5TS+ 0 0 -73.8 -43.5 179.8 47.1 130.3 25.1 158 -1.0 166 -2.5 0 0.0 0 0.0 11 71
163 A 167 GLU E H H > T - 0 0 -119.9 118.9 175.8 -167.4 52.7 153.9 163 -2.6 171 -1.8 0 0.0 170 -1.7 12 61
168 A 172 ARG R H H > 3 TS+ 0 0 -62.4 -30.4 177.0 62.7 93.7 31.2 0 0.0 172 -1.9 0 0.0 0 0.0 13 55
169 A 173 GLN Q H H > 3 TS+ 0 0 -69.6 -22.4 -176.6 43.3 104.5 43.6 226 -1.7 173 -0.8 0 0.0 0 0.0 11 49
170 A 174 ILE I H H > < TS+ 0 0 -94.6 -32.0 174.2 52.4 112.2 35.6 167 -1.7 174 -1.3 0 0.0 0 0.0 12 58
171 A 175 GLN Q H H X TS+ 0 0 -62.4 -44.3 -178.3 50.7 109.8 23.0 167 -1.8 175 -3.2 0 0.0 0 0.0 12 58
172 A 176 ARG R H H X TS+ 0 0 -61.2 -45.4 -178.7 44.5 111.7 23.0 168 -1.9 176 -0.8 0 0.0 0 0.0 8 47
173 A 177 GLY G H H < TS+ 0 0 -73.7 -22.0 -177.3 41.5 120.9 44.9 169 -0.8 0 0.0 0 0.0 0 0.0 8 44
174 A 178 PHE F H H X > TS+ 0 0 -93.3 -35.3 178.5 73.7 97.5 37.0 170 -1.3 177 -1.4 0 0.0 178 -0.5 11 56
175 A 179 ARG R H H < > TS+ 0 0 -41.4 -57.4 170.9 65.1 88.0 27.0 171 -3.2 178 -2.0 0 0.0 0 0.0 12 47
176 A 180 THR T G h < > TS+ 0 0 -33.4 -49.2 -179.8 62.6 88.8 41.8 172 -0.8 179 -2.0 0 0.0 0 0.0 9 32
177 A 181 THR T G G 4 < TS+ 0 0 -56.6 -27.0 -174.8 65.8 95.2 42.9 174 -1.4 0 0.0 0 0.0 0 0.0 10 37
178 A 182 LEU L G G < < T 0 0 -75.2 -6.8 -176.9 999.9 999.9 56.8 175 -2.0 0 0.0 174 -0.5 0 0.0 11 40
179!A 183 ASP D g < T 0 0 -128.7 999.9 999.9 999.9 999.9 111.6 176 -2.0 0 0.0 0 0.0 0 0.0 6 28
180!A 189 SER S 0 0 999.9 117.8 178.6 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 7 28
181 A 190 TYR Y E E CH - 126 0 -64.8 133.1 175.6 -157.9 999.9 115.1 126 -2.6 126 -2.0 0 0.0 183 -0.5 11 38
182 A 191 VAL V E E CH - 125 0 -117.0 117.9 -171.0 -134.9 16.1 166.2 0 0.0 184 -1.0 0 0.0 0 0.0 8 36
183 A 192 MET M e - 0 0 -81.6 106.9 -174.8 -149.0 28.3 139.5 124 -2.5 123 -3.4 181 -0.5 0 0.0 11 43
184 A 193 THR T h > T - 0 0 -70.1 175.4 -179.4 -112.9 23.9 92.8 182 -1.0 188 -2.1 0 0.0 0 0.0 9 35
185 A 194 ALA A H H > TS+ 0 0 -77.8 -37.8 -178.2 60.9 118.4 26.4 0 0.0 189 -2.5 0 0.0 0 0.0 8 27
186 A 195 GLU E H H > TS+ 0 0 -57.8 -30.6 -179.7 47.9 105.2 32.8 0 0.0 190 -0.8 0 0.0 0 0.0 6 38
187 A 196 ASP D H H > > TS+ 0 0 -78.2 -41.6 173.0 53.2 110.0 23.9 0 0.0 191 -1.7 0 0.0 190 -0.5 10 49
188 A 197 VAL V H H X 3 TS+ 0 0 -58.1 -48.0 176.9 53.5 104.0 21.8 184 -2.1 192 -1.9 0 0.0 0 0.0 11 46
189 A 198 ASP D H H < 3 TS+ 0 0 -47.7 -41.9 -172.7 56.0 106.9 34.3 185 -2.5 0 0.0 0 0.0 0 0.0 10 36
190 A 199 LEU L H H < X TS+ 0 0 -61.9 -51.7 -174.9 50.4 104.0 15.4 186 -0.8 193 -2.7 187 -0.5 0 0.0 9 50
191 A 200 THR T H H < > TS+ 0 0 -57.3 -38.4 175.2 52.9 109.0 27.6 187 -1.7 194 -1.1 0 0.0 0 0.0 8 55
192 A 201 LEU L T h < 3 TS+ 0 0 -65.9 -16.5 -174.0 53.1 108.2 58.1 188 -1.9 0 0.0 0 0.0 0 0.0 6 48
193 A 202 ASN N T h > < TS+ 0 0 -110.9 14.4 -179.6 109.4 71.7 71.9 190 -2.7 197 -2.5 0 0.0 0 0.0 11 48
194 A 203 TRP W H H > < TS+ 0 0 -53.4 -50.8 176.1 45.4 80.4 30.8 191 -1.1 198 -1.6 0 0.0 0 0.0 10 57
195 A 204 GLY G H H > TS+ 0 0 -66.0 -36.8 176.5 45.6 115.1 33.2 0 0.0 199 -1.1 0 0.0 0 0.0 11 53
196 A 205 ARG R H H > TS+ 0 0 -77.7 -36.9 172.3 50.9 112.5 26.2 0 0.0 200 -2.1 0 0.0 0 0.0 12 53
197 A 206 LEU L H H X TS+ 0 0 -57.6 -46.6 179.5 51.5 110.1 22.2 193 -2.5 201 -3.7 0 0.0 0 0.0 10 60
198 A 207 SER S H H < TS+ 0 0 -62.0 -30.1 175.9 49.9 109.0 38.0 194 -1.6 0 0.0 0 0.0 0 0.0 13 63
199 A 208 SER S H H < TS+ 0 0 -75.7 -37.6 -178.7 33.6 122.1 28.2 195 -1.1 0 0.0 0 0.0 0 0.0 14 48
200 A 209 VAL V H H < > TS+ 0 0 -82.6 -55.4 -173.9 72.7 99.8 21.5 196 -2.1 203 -3.4 0 0.0 0 0.0 14 58
201 A 210 LEU L G h < > TS+ 0 0 -34.8 -47.2 176.5 63.2 88.5 34.4 197 -3.7 204 -3.5 0 0.0 0 0.0 8 64
202 A 211 PRO P G G 3 TS+ 0 0 -52.7 -23.5 178.9 62.1 96.0 39.3 0 0.0 0 0.0 0 0.0 0 0.0 7 49
203 A 212 ASP D G G < TS+ 0 0 -79.3 -4.8 -178.4 124.0 74.3 57.1 200 -3.4 0 0.0 0 0.0 0 0.0 7 43
204 A 213 TYR Y g < T + 0 0 -58.1 122.9 -179.9 158.4 24.6 112.5 201 -3.5 0 0.0 0 0.0 0 0.0 11 49
205 A 214 HIS H S S S- 0 0 -133.2 17.6 -177.9 -60.5 73.9 78.0 0 0.0 0 0.0 0 0.0 0 0.0 5 36
206 A 215 GLY G S S S+ 0 0 103.9 45.2 177.4 162.1 77.2 37.2 0 0.0 0 0.0 0 0.0 0 0.0 6 35
207 A 216 GLN Q - 0 0 -93.2 151.2 176.7 -118.0 50.1 135.6 0 0.0 0 0.0 0 0.0 0 0.0 10 33
208 A 217 ASP D S S S+ 0 0 -53.4 -39.3 -177.5 0.6 90.1 27.9 251 -0.9 0 0.0 0 0.0 0 0.0 8 28
209 A 218 SER S E E Di - 252 0 -153.9 164.7 -175.3 -140.5 57.2 165.3 251 -1.4 253 -2.7 0 0.0 0 0.0 12 36
210 A 219 VAL V E E DiJ - 253 217 -133.8 130.1 -175.8 -175.1 16.4 172.0 217 -1.6 217 -2.6 0 0.0 0 0.0 13 50
211 A 220 ARG R E E DiJ + 254 216 -134.0 114.1 176.7 168.4 10.7 157.1 253 -2.3 255 -0.8 0 0.0 213 -0.6 12 53
212 A 221 VAL V E E D J> T - 0 215 -124.3 118.4 179.8 -58.8 64.8 167.6 215 -2.0 215 -2.5 0 0.0 0 0.0 13 53
213 A 222 GLY G T T 3 TS- 0 0 52.8 -130.8 -174.9 -6.1 121.8 96.2 211 -0.6 0 0.0 0 0.0 0 0.0 8 42
214 A 223 ARG R T T 3 TS+ 0 0 -82.9 11.9 178.9 85.5 122.0 67.5 0 0.0 0 0.0 0 0.0 0 0.0 6 32
215 A 224 ILE I E E DJ < T + 212 0 -117.2 133.4 177.3 178.8 51.3 154.8 212 -2.5 212 -2.0 0 0.0 0 0.0 9 44
216 A 225 SER S E E DJ - 211 0 -133.7 149.3 177.8 -156.1 13.7 167.8 0 0.0 0 0.0 0 0.0 0 0.0 9 45
217 A 226 PHE F E E DJ - 210 0 -122.5 134.5 -173.1 -160.8 3.4 162.8 210 -2.6 210 -1.6 0 0.0 0 0.0 10 45
218 A 227 GLY G S S S- 0 0 -92.4 -13.5 -178.1 -10.0 70.2 49.8 0 0.0 0 0.0 0 0.0 0 0.0 10 30
219 A 228 SER S S h > > TS- 0 0 -170.1 174.3 -176.2 -83.6 79.9 165.2 0 0.0 223 -2.1 0 0.0 222 -1.6 9 34
220 A 229 ILE I H H > 3 TS+ 0 0 -60.9 -36.2 -178.9 57.7 124.8 16.9 0 0.0 224 -2.9 0 0.0 0 0.0 12 40
221 A 230 ASN N H H > 3 TS+ 0 0 -65.6 -20.4 -177.3 49.1 105.3 52.3 0 0.0 225 -1.3 0 0.0 0 0.0 8 33
222 A 231 ALA A H H > < TS+ 0 0 -89.7 -33.9 174.6 54.5 106.9 41.6 219 -1.6 226 -0.5 0 0.0 0 0.0 9 39
223 A 232 ILE I H H X > TS+ 0 0 -60.9 -48.3 179.4 45.9 113.2 14.2 219 -2.1 227 -2.3 0 0.0 226 -1.1 10 56
224 A 233 LEU L H H < 3 TS+ 0 0 -62.1 -37.8 179.4 56.9 103.8 31.2 220 -2.9 0 0.0 0 0.0 0 0.0 14 47
225 A 234 GLY G H H < 3 TS+ 0 0 -70.9 -4.9 -179.3 31.1 121.1 58.0 221 -1.3 0 0.0 0 0.0 0 0.0 9 41
226 A 235 SER S H H < < TS+ 0 0 -119.4 -46.5 -178.6 49.2 114.4 46.2 223 -1.1 169 -1.7 222 -0.5 228 -0.5 10 52
227 A 236 VAL V h < T + 0 0 -111.4 124.2 -179.8 160.4 44.9 162.0 223 -2.3 0 0.0 0 0.0 0 0.0 12 64
228 A 237 ALA A e + 0 0 -99.7 -41.5 -173.9 27.1 67.8 37.7 166 -1.7 39 -2.0 226 -0.5 0 0.0 13 66
229 A 238 LEU L E E Bc - 39 0 -134.4 137.0 178.9 -169.6 60.5 166.4 166 -1.9 0 0.0 0 0.0 0 0.0 13 65
230 A 239 ILE I E E Bc - 40 0 -129.4 161.9 -178.7 -107.2 26.8 146.7 39 -2.1 41 -3.4 0 0.0 0 0.0 14 61
231 A 240 LEU L - 0 0 -69.4 167.7 173.0 -119.9 35.0 102.9 0 0.0 233 -0.7 0 0.0 0 0.0 14 50
232 A 241 ASN N 0 0 -116.0 110.6 176.3 999.9 999.9 156.4 0 0.0 0 0.0 0 0.0 0 0.0 9 42
233!A 242 CYS C 0 0 -109.5 999.9 999.9 999.9 999.9 100.3 231 -0.7 0 0.0 0 0.0 0 0.0 5 37
234!A 257 PHE F 0 0 999.9 65.0 179.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 31
235 A 258 PRO P - 0 0 -48.4 146.9 178.5 -99.2 999.9 95.0 0 0.0 0 0.0 0 0.0 0 0.0 3 29
236 A 259 SER S - 0 0 -71.4 154.0 177.1 -149.8 16.7 110.4 0 0.0 0 0.0 0 0.0 0 0.0 6 31
237 A 260 MET M S S S+ 0 0 -101.3 -5.0 173.2 99.7 70.6 60.7 0 0.0 0 0.0 0 0.0 0 0.0 7 40
238 A 261 CYS C S S S- 0 0 -77.4 150.4 173.8 -113.2 80.5 120.2 0 0.0 0 0.0 0 0.0 0 0.0 11 40
239 A 262 PRO P - 0 0 -73.1 158.5 -177.6 -82.9 49.2 108.1 0 0.0 0 0.0 0 0.0 0 0.0 10 32
240 A 263 ALA A t > T - 0 0 -63.9 -178.5 -178.8 -69.0 51.9 81.1 0 0.0 244 -0.6 0 0.0 0 0.0 6 24
241 A 264 ASP D T T 4 TS+ 0 0 -76.7 132.7 175.5 0.2 109.3 117.6 0 0.0 0 0.0 0 0.0 0 0.0 5 20
242 A 265 GLY G T T 4 TS+ 0 0 81.6 -17.1 -177.1 90.2 113.4 81.9 0 0.0 0 0.0 0 0.0 0 0.0 5 17
243 A 266 ARG R T T 4 TS+ 0 0 -73.1 -84.7 -179.6 37.7 77.7 7.8 0 0.0 245 -0.6 0 0.0 0 0.0 8 26
244 A 267 VAL V t < T + 0 0 -79.4 119.0 179.4 152.6 69.2 130.6 240 -0.6 0 0.0 0 0.0 0 0.0 13 37
245 A 268 ARG R e - 0 0 -142.2 146.2 -176.5 -110.6 47.2 164.9 243 -0.6 256 -2.7 0 0.0 0 0.0 10 38
246 A 269 GLY G E E DK - 255 0 -84.1 142.9 -177.3 -161.8 30.1 133.9 0 0.0 0 0.0 0 0.0 0 0.0 12 46
247 A 270 ILE I E E DK - 254 0 -126.6 123.4 -173.9 -147.4 7.8 173.2 254 -1.8 254 -1.9 0 0.0 249 -0.6 8 39
248 A 271 THR T E E DK + 253 0 -101.6 134.7 175.0 168.5 21.5 146.9 0 0.0 0 0.0 0 0.0 0 0.0 9 31
249 A 272 HIS H e - 0 0 -147.4 120.0 178.6 -12.0 67.3 160.2 252 -3.0 0 0.0 247 -0.6 0 0.0 7 26
250 A 273 ASN N S S S- 0 0 70.4 31.5 -176.2 -51.6 129.4 37.8 0 0.0 0 0.0 0 0.0 0 0.0 4 18
251 A 274 LYS K S e S+ 0 0 74.9 18.6 175.5 117.2 116.7 49.7 0 0.0 209 -1.4 0 0.0 208 -0.9 9 23
252 A 275 ILE I E E Di - 209 0 -115.9 130.4 180.0 -149.5 54.9 165.1 0 0.0 249 -3.0 0 0.0 0 0.0 11 34
253 A 276 LEU L E E DiK + 210 248 -101.8 132.2 -178.2 179.2 21.8 151.0 209 -2.7 211 -2.3 0 0.0 0 0.0 14 43
254 A 277 TRP W E E DiK - 211 247 -124.6 167.4 176.8 -113.7 33.6 142.7 247 -1.9 247 -1.8 0 0.0 0 0.0 14 47
255 A 278 ASP D E E >D K> T - 0 246 -106.0 129.4 -171.8 -131.5 29.6 154.5 211 -0.8 259 -1.5 0 0.0 258 -1.5 15 46
256 A 279 SER S H H > 3 TS+ 0 0 -55.3 -28.8 177.6 63.6 101.5 41.7 245 -2.7 260 -1.8 0 0.0 0 0.0 11 38
257 A 280 SER S H H > 3 TS+ 0 0 -62.0 -38.4 -177.3 44.3 104.1 43.5 0 0.0 261 -0.7 0 0.0 0 0.0 9 35
258 A 281 THR T H H > < TS+ 0 0 -79.7 -38.7 173.9 50.0 112.8 35.9 255 -1.5 262 -1.0 0 0.0 0 0.0 10 34
259 A 282 LEU L H H X TS+ 0 0 -64.6 -39.9 178.4 54.8 108.1 26.8 255 -1.5 263 -0.9 0 0.0 0 0.0 9 29
260 A 283 GLY G H H < TS+ 0 0 -60.0 -37.4 -177.9 47.6 110.5 27.0 256 -1.8 0 0.0 0 0.0 0 0.0 8 23
261 A 284 ALA A H H < TS+ 0 0 -77.0 -26.1 -175.8 44.6 113.1 45.9 257 -0.7 0 0.0 0 0.0 0 0.0 7 19
262 A 285 ILE I H H < TS+ 0 0 -95.7 -6.5 -174.6 67.2 101.9 65.4 258 -1.0 0 0.0 0 0.0 0 0.0 6 15
263 A 286 LEU L h < T 0 0 -95.7 -1.4 178.5 999.9 999.9 66.6 259 -0.9 0 0.0 0 0.0 0 0.0 5 13
264 A 287 MET M 0 0 -103.6 999.9 999.9 999.9 999.9 72.3 0 0.0 0 0.0 0 0.0 0 0.0 4 8
1dm0A.pdb
1DM0 TOXIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEE SSHHHHHHHHHHHHHHHEEEEEEEEETTEEEEEE EEEEEEE SSTTT EEEEETTTTEEEEEE TTT EEEE GGGTT TT E Kabs/Sand
chirality -----+--+++++++++++++++----+++++-+----- ------++++-++-++++++-----++-+-------++-+-----+++++---++-- chirality
bends SSSSSSSSSSSSSSSSS SSS SSS SSSSS SSS SSS SS SS SS bends
turns TTTTTTTTTTTTTTTTT TTTT TTTT TTTTT TTTTTT TTTTT TTTTTTT TTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33< >>3X<3< >33< 3-turns
bridge-2 cc DDDDD EEEEE FFF gggg bridge-2
bridge-1 aaaaa BBBB***BB BBBBBB aaaaa DDDDD EE*EEE FFF g bridge-1
sheets AAAAA BBBBBBBBB BBBBBB AAAAAAA AAAAA AAAAAA AAAA A sheets
4-turns >>>>XXXXXXXXX<<<< >444< >444< >444< 4-turns
summary eEEEEEeShHHHHHHHHHHHHHHHEEEEEEEEETTEEEEEEe eEEEEEEE StTTTt eEEEEEeTTTEEEEEEeTTTeEEEEeGGGgTt tTTtE summary
sequence KEFTLDFSTAKTYVDSLNVIRSAIGTPLQTISSGGTSLLMIDDNLFAVDVRGIDPEEGRFNNLRLIVERNNLYVTGFVNRTNNVFYRFADFSHVTFPGTT sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEE SS S HHHHHHHHT STT EE HHHHHHHHHHHHT SSS HHHHHHHHHHHHHHHHHHH HHHHHHHHGGG EE HHHHHHHTTHHHHHHH Kabs/Sand
chirality ----+--+-+++++++-+--+++--+-+++++++++++++++-+---+++++++++++++++++++-++++++++++ ----++++++++++++++++ chirality
bends SS S SSSSSSSS SSS SSSSSSSSSSSSS SSS SSSSSSSSSSSSSSSSSSS SSSSSSSSSS SSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTT TTTT TTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTT turns
5-turns >5555< >>555<< 5-turns
3-turns >33< >33< >33< >33<>33< >33< >>><<< >33X>3<< > 3-turns
bridge-2 bridge-2
bridge-1 ggg HH HH bridge-1
sheets AAA CC CC sheets
4-turns >>>>XX<<<< >>>>XXXXXX<<<< >>>>XXXXXXXX<4<>>XX>>>X<<<<>>>>X<<< 4-turns
summary EEEeSS ShHHHHHHHHht tTTeEEhHHHHHHHHHHHHht SSS hHHHHHHHHHHHHHHHHHHHhHHHHHHHHhGGg EEehHHHHHHHhhHHHHHHH summary
sequence AVTLSGDSSYTTLQRVAGISRTGMQINRHSLTTSYLDLMSHSGTSLTQSVARAMLRFVTVTAEALRFRQIQRGFRTTLDSYVMTAEDVDLTLNWGRLSSV sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand GGG SS SEEEETTEEESSHHHHHHH EE SS TTT EEE SSEEEEHHHHHHH Kabs/Sand
chirality ++++-+-+--+--++----+++++++++--- --+---++++---+--+-+--+++++++ chirality
bends SSS SS S SS SSSSSSSSS SS SSS SS SSSSSSS bends
turns TTTT TTTT TTTTTTTTT TTTTT TTTTTTTTT turns
5-turns 5-turns
3-turns >3<< >33< >33<>33< >33< 3-turns
bridge-2 JJJ KKK bridge-2
bridge-1 iii JJJ cc KKK iii bridge-1
sheets DDDD DDD BB DDD DDDD sheets
4-turns < >>>>X<<<< >444< >>>>X<<<< 4-turns
summary hGGgSS SEEEETTEEEShHHHHHHHheEE SS tTTTteEEEeSeEEEEHHHHHHHh summary
sequence LPDYHGQDSVRVGRISFGSINAILGSVALILNCFPSMCPADGRVRGITHNKILWDSSTLGAILM sequence
210 220 230 240 250 260
Messages
chain break between 42(A 42 ) and 43(A 47 )
chain break between 179(A 183 ) and 180(A 189 )
chain break between 233(A 242 ) and 234(A 257 )