Secondary structure calculation program - copyright by David Keith Smith, 1989
1kbpA.pdb
1KBP HYDROLASE (PHOSPHORIC MONOESTER) MOL_ID: 1; MOL_ID: 1;
Sequence length - 424
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 9 ARG R 0 0 999.9 26.9 176.6 999.9 999.9 999.9 0 0.0 132 -1.8 0 0.0 0 0.0 6 29
2 A 10 ASP D B B A - 131 0 -72.8 141.5 179.4 -99.0 999.9 121.7 0 0.0 0 0.0 0 0.0 0 0.0 8 41
3 A 11 MET M - 0 0 -64.8 139.4 179.9 -107.2 44.4 118.3 130 -3.1 0 0.0 0 0.0 0 0.0 8 41
4 A 12 PRO P t > T - 0 0 -66.5 155.4 -176.5 -104.6 29.3 108.3 0 0.0 7 -2.7 0 0.0 0 0.0 5 32
5 A 13 LEU L T T 3 TS+ 0 0 -54.0 -31.0 -180.0 54.6 118.8 42.4 0 0.0 0 0.0 0 0.0 0 0.0 6 31
6 A 14 ASP D T T 3 TS+ 0 0 -82.9 -5.0 180.0 137.0 76.4 60.7 0 0.0 0 0.0 0 0.0 0 0.0 7 22
7 A 15 SER S g X T - 0 0 -47.3 135.8 179.8 -121.6 66.6 96.6 4 -2.7 10 -1.5 0 0.0 0 0.0 8 28
8 A 16 ASP D G G > TS+ 0 0 -50.5 -23.7 -177.2 64.4 112.4 46.2 0 0.0 11 -0.7 0 0.0 0 0.0 5 26
9 A 17 VAL V G G 3 TS+ 0 0 -77.2 -24.3 -180.0 50.7 99.4 32.0 0 0.0 0 0.0 0 0.0 0 0.0 7 38
10 A 18 PHE F G G < TS+ 0 0 -93.2 2.5 -179.6 132.7 80.2 68.1 7 -1.5 0 0.0 0 0.0 0 0.0 11 36
11 A 19 ARG R g < T - 0 0 -55.5 144.7 -177.5 -122.2 56.3 103.8 8 -0.7 0 0.0 0 0.0 0 0.0 8 32
12 A 20 VAL V - 0 0 -99.4 129.5 -179.7 -106.0 26.2 142.8 0 0.0 0 0.0 0 0.0 0 0.0 6 38
13 A 21 PRO P - 0 0 -50.2 131.4 -179.8 -118.7 43.3 100.3 0 0.0 0 0.0 0 0.0 0 0.0 7 38
14 A 22 PRO P + 0 0 -74.8 151.5 -178.3 74.8 68.5 120.4 0 0.0 0 0.0 0 0.0 0 0.0 5 25
15 A 23 GLY G S t > TS- 0 0 121.9 154.4 -178.1 -62.6 89.1 113.1 0 0.0 18 -0.9 0 0.0 17 -0.5 6 24
16 A 24 TYR Y T T 3 TS- 0 0 -77.0 125.0 176.6 -10.2 117.8 126.6 0 0.0 102 -0.9 0 0.0 0 0.0 7 26
17 A 25 ASN N T T 3 TS- 0 0 53.1 53.6 179.2 -175.8 90.8 13.6 15 -0.5 102 -0.7 0 0.0 0 0.0 12 32
18 A 26 ALA A t < T - 0 0 -86.0 128.6 179.7 -106.2 31.4 142.6 15 -0.9 0 0.0 0 0.0 0 0.0 14 42
19 A 27 PRO P + 0 0 -53.6 127.6 178.8 175.5 48.9 103.7 0 0.0 0 0.0 0 0.0 0 0.0 14 59
20 A 28 GLN Q E E AA + 39 0 -134.2 168.4 -179.9 36.5 50.9 150.5 39 -3.0 39 -2.9 0 0.0 0 0.0 10 60
21 A 29 GLN Q E E A* S- 0 0 58.2 41.2 179.8 -174.7 76.5 27.2 0 0.0 0 0.0 0 0.0 0 0.0 13 62
22 A 30 VAL V E E A* + 0 0 -70.1 143.9 -179.6 160.9 10.1 112.5 0 0.0 0 0.0 0 0.0 0 0.0 14 67
23 A 31 HIS H E E AA - 37 0 -164.6 148.0 -178.6 -160.7 19.3 161.8 37 -1.8 37 -2.6 0 0.0 0 0.0 12 64
24 A 32 ILE I E E AA + 36 0 -132.3 160.1 174.4 171.8 8.9 149.6 182 -1.6 187 -1.3 0 0.0 0 0.0 14 64
25 A 33 THR T E E AA - 35 0 -154.8 168.8 -179.9 -70.5 49.3 164.1 35 -0.9 35 -2.5 0 0.0 0 0.0 12 65
26 A 34 GLN Q E E AA - 34 0 -63.9 142.6 -179.5 -163.5 40.0 104.8 0 0.0 0 0.0 0 0.0 0 0.0 15 68
27 A 35 GLY G e + 0 0 -113.0 5.9 179.6 28.3 63.0 69.6 33 -2.4 0 0.0 0 0.0 0 0.0 14 52
28 A 36 ASP D S S S- 0 0 -146.0 -170.7 -179.9 -91.0 89.7 146.6 33 -0.5 0 0.0 0 0.0 0 0.0 12 48
29 A 37 LEU L S S S+ 0 0 -79.4 -34.0 -172.8 32.5 113.0 30.7 0 0.0 233 -3.3 0 0.0 0 0.0 11 52
30 A 38 VAL V S S S- 0 0 -109.0 -7.9 176.9 -87.6 112.6 63.8 0 0.0 0 0.0 0 0.0 0 0.0 9 51
31 A 39 GLY G S S S+ 0 0 124.4 -15.2 -179.1 102.9 92.6 75.5 0 0.0 0 0.0 0 0.0 0 0.0 16 55
32 A 40 ARG R S e S+ 0 0 -100.8 49.9 179.4 56.0 72.4 96.8 0 0.0 87 -1.8 0 0.0 86 -0.6 14 41
33 A 41 ALA A E E A B - 0 85 -166.5 148.7 179.4 -161.7 58.3 161.9 0 0.0 27 -2.4 0 0.0 28 -0.5 12 61
34 A 42 MET M E E AAB - 26 84 -137.0 151.2 178.0 -139.9 14.6 168.0 84 -2.0 84 -2.3 0 0.0 36 -0.6 13 69
35 A 43 ILE I E E AAB - 25 83 -113.6 118.4 179.9 -162.8 19.0 163.3 25 -2.5 25 -0.9 0 0.0 0 0.0 14 69
36 A 44 ILE I E E AAB + 24 82 -100.1 138.3 -178.8 179.0 13.2 149.6 82 -3.6 82 -3.0 34 -0.6 0 0.0 12 72
37 A 45 SER S E E AAB + 23 81 -139.7 144.4 179.1 147.9 7.9 171.6 23 -2.6 23 -1.8 0 0.0 0 0.0 14 74
38 A 46 TRP W E E A*B - 0 80 -162.2 179.1 -179.6 -115.9 33.3 166.5 80 -2.0 80 -3.2 0 0.0 0 0.0 12 75
39 A 47 VAL V E E AAB - 20 79 -133.2 138.9 177.5 -170.1 12.5 164.8 20 -2.9 20 -3.0 0 0.0 0 0.0 12 69
40 A 48 THR T E E A B - 0 78 -121.4 138.9 -176.5 -173.7 5.4 167.0 78 -1.6 78 -2.9 0 0.0 0 0.0 14 55
41 A 49 MET M S S S+ 0 0 -111.0 -21.9 -178.3 57.8 70.2 49.8 0 0.0 0 0.0 0 0.0 0 0.0 9 48
42 A 50 ASP D S S S- 0 0 -78.4 -44.5 179.6 -19.4 122.1 24.2 0 0.0 0 0.0 0 0.0 0 0.0 7 30
43 A 51 GLU E S S S- 0 0 -159.1 162.7 -179.5 -86.1 77.5 165.1 0 0.0 0 0.0 0 0.0 0 0.0 8 29
44 A 52 PRO P + 0 0 -37.9 -60.1 178.9 178.2 60.0 35.2 0 0.0 0 0.0 0 0.0 0 0.0 9 35
45 A 53 GLY G - 0 0 79.3 -175.4 179.8 -43.4 37.2 100.2 0 0.0 0 0.0 0 0.0 0 0.0 10 39
46 A 54 SER S - 0 0 -92.0 149.7 178.2 -155.5 32.2 132.8 0 0.0 0 0.0 0 0.0 0 0.0 7 42
47 A 55 SER S e + 0 0 -107.1 23.6 -179.4 119.3 59.4 89.3 0 0.0 64 -2.0 0 0.0 0 0.0 13 48
48 A 56 ALA A E E BC - 63 0 -90.7 151.7 178.8 -159.4 47.6 128.9 0 0.0 0 0.0 0 0.0 0 0.0 12 47
49 A 57 VAL V E E BC - 62 0 -130.1 135.8 178.5 -152.3 3.6 170.9 62 -2.8 62 -3.0 0 0.0 0 0.0 14 56
50 A 58 ARG R E E BCD + 61 96 -109.7 136.2 -179.9 162.7 24.5 159.6 96 -2.1 96 -2.6 0 0.0 0 0.0 11 48
51 A 59 TYR Y E E BCD + 60 95 -150.5 154.9 179.3 172.6 14.1 178.3 60 -2.3 60 -2.6 0 0.0 0 0.0 11 50
52 A 60 TRP W E E B D - 0 94 -158.1 149.9 179.7 -108.3 34.2 170.0 94 -1.6 94 -2.4 0 0.0 0 0.0 12 37
53 A 61 SER S E E B D - 0 93 -81.5 158.8 -178.4 -119.9 27.6 121.2 56 -1.0 0 0.0 0 0.0 0 0.0 12 36
54 A 62 GLU E S e S+ 0 0 -60.9 -46.2 179.9 40.0 111.4 22.5 92 -2.1 0 0.0 0 0.0 0 0.0 9 26
55 A 63 LYS K S S S+ 0 0 -64.6 -75.6 178.3 37.0 121.1 3.5 0 0.0 57 -1.7 0 0.0 0 0.0 4 22
56 A 64 ASN N S S S- 0 0 -83.1 79.7 -179.6 -164.6 79.7 130.0 0 0.0 58 -1.5 0 0.0 53 -1.0 6 19
57 A 65 GLY G + 0 0 -56.2 23.1 179.6 138.9 37.1 82.6 55 -1.7 0 0.0 0 0.0 0 0.0 7 20
58 A 66 ARG R - 0 0 -77.4 120.7 -177.4 -134.9 50.2 128.8 56 -1.5 0 0.0 0 0.0 0 0.0 6 21
59 A 67 LYS K - 0 0 -85.1 120.7 179.1 -179.4 26.6 132.2 0 0.0 0 0.0 0 0.0 0 0.0 8 28
60 A 68 ARG R E E BC - 51 0 -112.1 164.2 -179.8 -137.5 16.5 137.1 51 -2.6 51 -2.3 0 0.0 0 0.0 7 32
61 A 69 ILE I E E BC - 50 0 -130.0 131.2 179.5 -163.3 9.2 170.5 0 0.0 0 0.0 0 0.0 0 0.0 8 37
62 A 70 ALA A E E BC - 49 0 -112.3 138.3 -179.1 -146.6 12.6 155.8 49 -3.0 49 -2.8 0 0.0 0 0.0 10 37
63 A 71 LYS K E E BC + 48 0 -108.9 126.8 -178.7 169.4 24.6 154.7 0 0.0 0 0.0 0 0.0 0 0.0 9 35
64 A 72 GLY G e - 0 0 -111.7 -148.6 -177.5 -85.3 27.1 97.5 47 -2.0 0 0.0 0 0.0 0 0.0 11 39
65 A 73 LYS K E E AE - 81 0 -132.9 155.4 -177.4 -145.2 20.7 160.0 81 -2.5 81 -2.4 0 0.0 0 0.0 8 34
66 A 74 MET M E E AE + 80 0 -121.8 144.8 179.8 165.0 21.2 152.7 0 0.0 0 0.0 0 0.0 0 0.0 10 39
67 A 75 SER S E E AE - 79 0 -151.7 165.7 178.7 -161.1 14.9 164.9 79 -2.5 79 -2.8 0 0.0 0 0.0 8 36
68 A 76 THR T - 0 0 -142.9 160.9 176.4 -168.7 6.0 156.5 0 0.0 0 0.0 0 0.0 0 0.0 10 38
69 A 77 TYR Y - 0 0 -149.2 162.4 178.7 -140.8 13.9 166.3 0 0.0 76 -2.9 0 0.0 0 0.0 8 37
70 A 78 ARG R B B B - 75 0 -124.1 140.5 179.2 -174.6 12.6 165.0 0 0.0 0 0.0 0 0.0 0 0.0 8 35
71 A 79 PHE F - 0 0 -104.4 -75.2 176.7 -48.3 63.0 37.3 74 -1.7 0 0.0 0 0.0 0 0.0 9 43
72 A 80 PHE F S S S- 0 0 -123.9 -85.8 176.4 -17.1 123.0 74.7 0 0.0 0 0.0 0 0.0 0 0.0 9 32
73 A 81 ASN N S S S+ 0 0 -100.6 16.1 178.5 101.1 122.3 78.6 0 0.0 0 0.0 0 0.0 0 0.0 5 23
74 A 82 TYR Y - 0 0 -100.4 146.4 178.4 -165.8 53.9 138.7 0 0.0 71 -1.7 0 0.0 0 0.0 8 30
75 A 83 SER S B B B - 70 0 -136.2 120.3 -176.4 -133.9 17.9 167.2 0 0.0 0 0.0 0 0.0 0 0.0 9 31
76 A 84 SER S - 0 0 -65.8 169.9 177.0 -122.6 17.2 91.7 69 -2.9 0 0.0 0 0.0 0 0.0 8 42
77 A 85 GLY G - 0 0 -90.1 -147.3 -177.6 -56.2 58.8 93.0 0 0.0 79 -0.8 0 0.0 0 0.0 11 45
78 A 86 PHE F E E AB - 40 0 -104.6 110.4 -176.7 -157.2 55.1 142.4 40 -2.9 40 -1.6 0 0.0 0 0.0 13 47
79 A 87 ILE I E E ABE - 39 67 -87.9 130.4 179.8 -165.1 9.0 135.5 67 -2.8 67 -2.5 77 -0.8 0 0.0 14 55
80 A 88 HIS H E E ABE - 38 66 -118.1 147.7 178.0 -177.8 11.9 155.8 38 -3.2 38 -2.0 0 0.0 0 0.0 12 58
81 A 89 HIS H E E ABE + 37 65 -141.6 120.4 -179.0 171.9 8.3 167.3 65 -2.4 65 -2.5 0 0.0 0 0.0 13 53
82 A 90 THR T E E AB - 36 0 -133.1 137.1 -179.3 -147.5 19.5 175.4 36 -3.0 36 -3.6 0 0.0 84 -0.6 14 52
83 A 91 THR T E E AB - 35 0 -109.1 115.8 176.8 -161.5 4.9 153.1 0 0.0 0 0.0 0 0.0 0 0.0 12 52
84 A 92 ILE I E E AB - 34 0 -87.7 135.7 -179.8 -176.0 24.3 142.0 34 -2.3 34 -2.0 82 -0.6 0 0.0 11 55
85 A 93 ARG R E E AB + 33 0 -131.8 178.1 -177.8 40.9 46.2 139.2 0 0.0 0 0.0 0 0.0 0 0.0 9 44
86 A 94 LYS K S e S+ 0 0 54.8 43.8 178.6 168.4 70.7 31.0 32 -0.6 0 0.0 0 0.0 0 0.0 6 34
87 A 95 LEU L - 0 0 -80.1 164.8 179.7 -108.4 38.3 109.2 32 -1.8 0 0.0 0 0.0 0 0.0 8 48
88 A 96 LYS K t > T - 0 0 -94.0 146.7 -178.9 -107.3 39.5 137.6 0 0.0 91 -0.6 0 0.0 0 0.0 7 36
89 A 97 TYR Y T T 3 TS+ 0 0 -71.0 152.9 176.9 11.9 93.0 111.0 0 0.0 0 0.0 0 0.0 0 0.0 10 38
90 A 98 ASN N T T 3 TS+ 0 0 51.1 46.7 177.3 123.6 95.2 31.5 111 -1.9 0 0.0 0 0.0 0 0.0 9 37
91 A 99 THR T e < T - 0 0 -137.4 148.9 -179.5 -119.2 60.6 167.7 88 -0.6 110 -2.2 0 0.0 0 0.0 10 35
92 A 100 LYS K E E B F - 0 109 -84.6 139.0 -179.4 -170.9 31.9 135.5 0 0.0 54 -2.1 0 0.0 0 0.0 10 38
93 A 101 TYR Y E E BDF - 53 108 -130.3 147.0 177.4 -147.5 14.2 164.0 108 -3.1 108 -2.0 0 0.0 0 0.0 12 49
94 A 102 TYR Y E E BDF - 52 107 -111.6 144.3 177.1 -169.5 17.7 154.5 52 -2.4 52 -1.6 0 0.0 0 0.0 12 46
95 A 103 TYR Y E E BDF - 51 106 -135.6 146.2 179.3 -157.6 7.7 163.5 106 -2.8 106 -2.9 0 0.0 0 0.0 11 57
96 A 104 GLU E E E BDF - 50 105 -123.0 145.9 -175.8 -174.9 8.8 169.2 50 -2.6 50 -2.1 0 0.0 0 0.0 12 55
97 A 105 VAL V E E B F + 0 104 -140.0 148.0 -178.2 48.8 60.2 161.1 104 -2.6 104 -2.7 0 0.0 0 0.0 12 61
98 A 106 GLY G + 0 0 86.4 45.5 -176.6 167.8 59.7 29.9 0 0.0 0 0.0 0 0.0 0 0.0 16 51
99 A 107 LEU L + 0 0 -63.1 -36.7 -178.1 51.8 65.0 38.4 0 0.0 0 0.0 0 0.0 0 0.0 10 41
100 A 108 ARG R S S S- 0 0 -68.7 -59.7 -178.9 -1.4 128.4 10.3 0 0.0 0 0.0 0 0.0 0 0.0 7 29
101 A 109 ASN N S S S+ 0 0 -100.6 -91.4 -179.4 9.0 130.2 40.2 0 0.0 103 -0.7 0 0.0 0 0.0 9 29
102 A 110 THR T S S S- 0 0 -105.4 113.7 -177.5 -153.0 70.4 146.4 16 -0.9 0 0.0 17 -0.7 0 0.0 11 34
103 A 111 THR T - 0 0 -78.1 142.1 176.6 -168.3 8.8 122.4 101 -0.7 0 0.0 0 0.0 0 0.0 11 36
104 A 112 ARG R E E BF - 97 0 -132.4 142.9 -177.9 -149.3 8.6 166.9 97 -2.7 97 -2.6 0 0.0 0 0.0 9 44
105 A 113 ARG R E E BF + 96 0 -116.4 146.3 -179.5 157.2 22.1 155.6 0 0.0 0 0.0 0 0.0 0 0.0 8 47
106 A 114 PHE F E E BF - 95 0 -147.5 -177.4 177.2 -143.8 20.9 145.2 95 -2.9 95 -2.8 0 0.0 0 0.0 9 47
107 A 115 SER S E E BF - 94 0 -153.2 162.8 177.1 -178.2 11.7 168.1 0 0.0 0 0.0 0 0.0 0 0.0 10 47
108 A 116 PHE F E E BF - 93 0 -153.8 166.7 179.4 -125.9 23.0 161.3 93 -2.0 93 -3.1 0 0.0 0 0.0 9 56
109 A 117 ILE I E E BF - 92 0 -126.0 120.1 -178.5 -129.5 22.0 164.2 0 0.0 0 0.0 0 0.0 0 0.0 9 52
110 A 118 THR T e - 0 0 -63.0 149.4 179.9 -112.9 32.8 102.8 91 -2.2 0 0.0 0 0.0 0 0.0 13 56
111 A 119 PRO P - 0 0 -77.9 172.4 179.7 -87.1 37.5 106.7 0 0.0 90 -1.9 0 0.0 0 0.0 11 55
112 A 120 PRO P - 0 0 -76.3 160.2 179.4 -81.6 55.6 109.4 0 0.0 235 -0.7 0 0.0 0 0.0 10 44
113 A 121 GLN Q - 0 0 -59.4 147.8 -179.7 -87.1 62.5 110.7 0 0.0 0 0.0 0 0.0 0 0.0 10 35
114 A 122 THR T + 0 0 -56.6 137.6 179.5 156.9 65.8 107.2 0 0.0 0 0.0 0 0.0 0 0.0 13 43
115 A 123 GLY G t > T - 0 0 -164.4 161.0 -178.8 -110.9 53.4 173.3 235 -0.6 118 -1.0 0 0.0 0 0.0 9 36
116 A 124 LEU L T T 3 TS+ 0 0 -61.6 -44.1 -178.9 25.3 115.6 29.5 0 0.0 0 0.0 0 0.0 0 0.0 12 37
117 A 125 ASP D T T 3 TS+ 0 0 -113.9 29.8 180.0 131.4 85.1 88.4 0 0.0 0 0.0 0 0.0 0 0.0 8 37
118 A 126 VAL V t < T - 0 0 -85.3 120.2 -179.9 -142.5 47.8 134.7 115 -1.0 236 -0.7 0 0.0 0 0.0 13 41
119 A 127 PRO P + 0 0 -79.6 160.1 -177.5 161.9 27.5 113.9 0 0.0 0 0.0 0 0.0 0 0.0 10 45
120 A 128 TYR Y E E CG - 386 0 -173.6 145.5 -178.5 -135.5 28.3 157.9 386 -1.0 386 -2.5 0 0.0 0 0.0 10 52
121 A 129 THR T E E CG - 385 0 -122.3 124.7 -176.0 -165.1 17.6 164.4 0 0.0 149 -3.5 0 0.0 0 0.0 13 56
122 A 130 PHE F E E CG - 384 0 -106.8 146.3 179.1 -141.1 11.5 138.4 384 -2.4 384 -2.4 0 0.0 0 0.0 12 65
123 A 131 GLY G E E CGh - 383 151 -101.0 157.9 178.8 -145.6 13.4 135.5 150 -3.1 152 -2.6 0 0.0 0 0.0 14 70
124 A 132 LEU L E E CGh + 382 152 -129.8 115.4 -179.3 162.0 25.8 163.1 382 -2.4 382 -2.4 0 0.0 0 0.0 13 81
125 A 133 ILE I E E C h + 0 153 -131.3 139.9 -179.1 173.0 6.3 168.1 152 -1.7 154 -2.2 0 0.0 0 0.0 15 76
126 A 134 GLY G + 0 0 -147.3 144.8 179.0 10.1 62.1 172.1 0 0.0 354 -1.7 0 0.0 0 0.0 17 78
127 A 135 ASP D S S S+ 0 0 56.0 46.5 -176.9 165.7 70.7 35.0 155 -2.5 356 -2.1 0 0.0 0 0.0 18 72
128 A 136 LEU L + 0 0 -60.0 -62.9 -179.5 161.2 5.5 21.4 0 0.0 0 0.0 0 0.0 0 0.0 14 78
129 A 137 GLY G - 0 0 68.6 -164.8 179.6 -81.7 53.7 104.4 157 -2.2 0 0.0 0 0.0 0 0.0 14 70
130 A 138 GLN Q S S S+ 0 0 -136.3 43.8 177.1 124.9 76.0 98.6 0 0.0 3 -3.1 0 0.0 0 0.0 16 60
131 A 139 SER S B h > A TS- 2 0 -88.7 176.1 179.6 -99.2 78.4 114.4 356 -1.0 135 -1.9 0 0.0 0 0.0 13 51
132 A 140 PHE F H H > TS+ 0 0 -64.9 -29.8 -179.7 60.5 127.3 30.5 1 -1.8 136 -2.0 0 0.0 0 0.0 11 41
133 A 141 ASP D H H > TS+ 0 0 -61.5 -41.7 179.7 54.0 99.8 22.8 0 0.0 137 -2.5 0 0.0 0 0.0 13 49
134 A 142 SER S H H > TS+ 0 0 -58.5 -44.1 -178.3 54.7 104.9 18.4 0 0.0 138 -2.6 0 0.0 0 0.0 15 64
135 A 143 ASN N H H X TS+ 0 0 -56.9 -41.0 -178.5 49.7 108.6 21.9 131 -1.9 139 -2.0 0 0.0 0 0.0 9 54
136 A 144 THR T H H X TS+ 0 0 -65.3 -50.5 178.7 49.9 108.0 22.7 132 -2.0 140 -2.9 0 0.0 0 0.0 9 49
137 A 145 THR T H H X TS+ 0 0 -55.3 -44.1 -179.1 54.3 109.0 22.2 133 -2.5 141 -1.8 0 0.0 0 0.0 14 62
138 A 146 LEU L H H X TS+ 0 0 -61.6 -40.2 179.3 45.2 110.4 20.2 134 -2.6 142 -2.0 0 0.0 0 0.0 9 68
139 A 147 SER S H H X TS+ 0 0 -68.0 -46.4 178.1 55.5 108.5 16.5 135 -2.0 143 -1.8 0 0.0 0 0.0 8 47
140 A 148 HIS H H H X TS+ 0 0 -51.2 -34.7 -179.6 48.3 110.1 35.0 136 -2.9 144 -0.7 0 0.0 0 0.0 10 46
141 A 149 TYR Y H H < > TS+ 0 0 -69.9 -45.3 -178.3 53.6 107.5 27.3 137 -1.8 144 -0.6 0 0.0 0 0.0 11 60
142 A 150 GLU E H H < 3 TS+ 0 0 -60.5 -26.8 -178.6 42.7 114.9 44.8 138 -2.0 0 0.0 0 0.0 0 0.0 9 44
143 A 151 LEU L H H < 3 TS+ 0 0 -99.1 -10.5 -179.6 130.1 75.3 58.5 139 -1.8 0 0.0 0 0.0 0 0.0 8 36
144 A 152 SER S h < < T - 0 0 -49.5 120.8 179.5 -141.5 57.0 106.8 140 -0.7 0 0.0 141 -0.6 0 0.0 10 41
145 A 153 PRO P S S S+ 0 0 -56.6 -28.6 176.3 71.1 98.5 41.4 0 0.0 147 -1.2 0 0.0 0 0.0 6 30
146 A 154 LYS K S S S- 0 0 -89.6 100.6 179.7 -137.0 100.9 151.3 0 0.0 148 -0.6 0 0.0 0 0.0 5 37
147 A 155 LYS K - 0 0 -65.6 114.9 178.1 -135.9 11.0 130.1 145 -1.2 0 0.0 0 0.0 0 0.0 8 42
148 A 156 GLY G - 0 0 -71.9 150.1 -178.1 -166.4 15.4 119.0 146 -0.6 0 0.0 0 0.0 0 0.0 12 52
149 A 157 GLN Q + 0 0 -115.9 -4.2 -178.5 9.7 68.8 60.0 121 -3.5 0 0.0 0 0.0 0 0.0 10 54
150 A 158 THR T S e S- 0 0 -170.8 137.5 178.7 -131.8 70.1 149.1 0 0.0 123 -3.1 0 0.0 0 0.0 11 65
151 A 159 VAL V E E Chi - 123 187 -101.9 129.9 178.4 -149.7 9.0 148.2 186 -1.8 188 -2.7 0 0.0 153 -0.7 13 73
152 A 160 LEU L E E Chi - 124 188 -99.0 114.1 -174.6 -152.3 21.8 159.2 123 -2.6 125 -1.7 0 0.0 154 -0.7 12 73
153 A 161 PHE F E E Chi - 125 189 -98.9 119.5 -174.9 -164.4 12.4 145.6 188 -2.6 190 -0.8 151 -0.7 0 0.0 11 80
154 A 162 VAL V e - 0 0 -88.0 13.6 177.7 -82.4 47.1 75.7 125 -2.2 0 0.0 152 -0.7 0 0.0 20 73
155 A 163 GLY G S S S+ 0 0 112.2 160.0 -176.8 80.6 87.5 100.1 0 0.0 127 -2.5 0 0.0 0 0.0 17 69
156 A 164 ASP D - 0 0 60.4 82.2 -179.0 -178.4 49.2 11.8 0 0.0 0 0.0 0 0.0 0 0.0 16 71
157 A 165 LEU L - 0 0 -76.9 -59.1 -172.6 -8.1 62.2 9.0 0 0.0 129 -2.2 0 0.0 0 0.0 11 78
158 A 166 SER S - 0 0 -125.2 -9.8 179.7 -134.8 64.2 58.1 0 0.0 0 0.0 0 0.0 0 0.0 14 71
159 A 167 TYR Y g > T + 0 0 58.7 27.4 177.2 144.5 53.4 40.3 0 0.0 162 -1.7 0 0.0 0 0.0 14 59
160 A 168 ALA A G G > T + 0 0 -64.3 -28.8 -177.9 73.1 62.2 31.7 0 0.0 163 -2.2 0 0.0 0 0.0 12 54
161 A 169 ASP D G G 3 TS+ 0 0 -65.2 -3.9 -179.4 67.4 82.6 58.0 0 0.0 0 0.0 0 0.0 0 0.0 13 48
162 A 170 ARG R G G < TS+ 0 0 -88.4 -14.9 -179.4 81.6 88.1 55.5 159 -1.7 0 0.0 0 0.0 0 0.0 6 38
163 A 171 TYR Y S g X TS- 0 0 -87.2 159.0 179.7 -76.3 102.7 117.0 160 -2.2 166 -2.0 0 0.0 0 0.0 9 37
164 A 172 PRO P G G > TS+ 0 0 -60.1 134.1 -178.5 1.0 119.2 111.9 0 0.0 167 -2.6 0 0.0 0 0.0 6 26
165 A 173 ASN N G G 3 TS- 0 0 56.2 25.8 179.2 -78.0 124.8 38.7 0 0.0 0 0.0 0 0.0 0 0.0 8 32
166 A 174 HIS H G G < T - 0 0 54.8 30.9 -178.5 -129.6 59.7 38.5 163 -2.0 0 0.0 0 0.0 0 0.0 10 46
167 A 175 ASP D g X T - 0 0 -12.0 88.1 -178.3 -152.8 16.7 69.4 164 -2.6 170 -2.2 0 0.0 0 0.0 11 40
168 A 176 ASN N T h > > TS+ 0 0 -55.8 -5.6 177.5 81.1 83.8 55.0 0 0.0 171 -1.5 0 0.0 172 -1.0 11 52
169 A 177 VAL V H H > > TS+ 0 0 -65.3 -37.4 178.9 64.8 82.5 26.5 0 0.0 173 -2.7 0 0.0 172 -0.9 7 51
170 A 178 ARG R H H > < TS+ 0 0 -59.8 -13.6 175.9 54.5 97.5 47.6 167 -2.2 174 -1.0 0 0.0 0 0.0 12 54
171 A 179 TRP W H H > < TS+ 0 0 -84.7 -32.2 179.7 49.2 108.5 37.6 168 -1.5 175 -1.5 0 0.0 0 0.0 10 67
172 A 180 ASP D H H X < TS+ 0 0 -70.7 -49.0 179.2 47.3 111.3 20.4 168 -1.0 176 -1.7 169 -0.9 0 0.0 9 59
173 A 181 THR T H H X TS+ 0 0 -61.3 -36.2 -179.7 52.2 111.4 26.3 169 -2.7 177 -2.7 0 0.0 0 0.0 10 55
174 A 182 TRP W H H X TS+ 0 0 -66.2 -37.9 -178.8 50.9 108.6 26.1 170 -1.0 178 -2.3 0 0.0 0 0.0 12 64
175 A 183 GLY G H H < TS+ 0 0 -67.3 -33.4 179.3 45.2 112.5 32.6 171 -1.5 0 0.0 0 0.0 0 0.0 10 65
176 A 184 ARG R H H < TS+ 0 0 -74.7 -39.6 179.0 54.6 111.5 30.8 172 -1.7 0 0.0 0 0.0 0 0.0 14 55
177 A 185 PHE F H H < > TS+ 0 0 -58.7 -53.9 -177.9 40.8 112.3 19.2 173 -2.7 180 -0.7 0 0.0 0 0.0 11 53
178 A 186 THR T T h X > TS+ 0 0 -76.9 -7.4 -177.8 94.3 86.6 57.7 174 -2.3 182 -2.2 0 0.0 181 -2.1 9 67
179 A 187 GLU E H H > 3 TS+ 0 0 -55.8 -33.9 -179.5 72.0 71.8 33.1 0 0.0 183 -2.1 0 0.0 0 0.0 11 56
180 A 188 ARG R H H 4 < TS+ 0 0 -55.6 -27.3 176.9 23.7 114.2 37.5 177 -0.7 0 0.0 0 0.0 0 0.0 7 48
181 A 189 SER S H H > X TS+ 0 0 -101.9 -53.9 -178.2 47.8 123.6 31.7 178 -2.1 184 -1.6 0 0.0 185 -1.5 8 55
182 A 190 VAL V H H < 3 TS+ 0 0 -65.1 -17.1 -179.9 65.8 99.4 54.5 178 -2.2 24 -1.6 0 0.0 0 0.0 12 57
183 A 191 ALA A T h < 3 TS+ 0 0 -75.9 -17.8 -177.5 33.2 115.2 43.1 179 -2.1 0 0.0 0 0.0 0 0.0 12 56
184 A 192 TYR Y T T 4 < TS+ 0 0 -109.2 -26.3 178.7 27.0 124.5 49.3 181 -1.6 0 0.0 0 0.0 0 0.0 11 51
185 A 193 GLN Q S t < TS- 0 0 -139.2 139.1 -179.9 -104.5 85.8 176.2 181 -1.5 0 0.0 0 0.0 0 0.0 13 56
186 A 194 PRO P e - 0 0 -62.3 147.9 172.0 -156.5 23.2 109.0 0 0.0 151 -1.8 0 0.0 0 0.0 13 67
187 A 195 TRP W E E Ci - 151 0 -117.9 132.7 -179.5 -136.7 16.3 166.8 24 -1.3 189 -0.6 0 0.0 0 0.0 11 69
188 A 196 ILE I E E Ci - 152 0 -94.4 124.4 -175.9 -133.6 26.4 150.3 151 -2.7 153 -2.6 0 0.0 0 0.0 11 77
189 A 197 TRP W E E Ci + 153 0 -92.2 139.1 178.3 177.7 26.3 133.3 187 -0.6 0 0.0 0 0.0 0 0.0 10 74
190 A 198 THR T e - 0 0 -131.0 141.2 -177.6 -120.3 30.3 163.9 153 -0.8 0 0.0 0 0.0 0 0.0 15 66
191 A 199 ALA A - 0 0 -91.8 130.3 179.5 -177.5 31.0 135.1 0 0.0 0 0.0 0 0.0 0 0.0 15 63
192 A 200 GLY G g > T - 0 0 -112.8 -175.9 -176.9 -90.1 43.1 119.4 0 0.0 195 -1.4 0 0.0 0 0.0 16 62
193 A 201 ASN N G G > > TS+ 0 0 -74.4 -26.6 178.1 63.3 120.3 34.2 0 0.0 196 -1.2 0 0.0 197 -0.7 10 53
194 A 202 HIS H G G 4 3 TS+ 0 0 -70.3 -4.9 178.6 56.0 101.7 50.7 0 0.0 0 0.0 0 0.0 0 0.0 12 57
195 A 203 GLU E G G 4 < TS+ 0 0 -94.9 -16.7 -177.9 75.7 88.0 54.0 192 -1.4 0 0.0 0 0.0 0 0.0 15 59
196 A 204 ILE I T g 4 < T - 0 0 -63.1 -45.9 179.0 -179.3 67.0 25.9 193 -1.2 208 -2.2 0 0.0 0 0.0 11 48
197 A 205 GLU E t < T + 0 0 42.1 60.9 176.6 176.5 3.3 31.2 193 -0.7 199 -0.9 0 0.0 0 0.0 14 44
198 A 206 PHE F + 0 0 -91.9 105.6 -179.8 166.5 6.3 146.7 0 0.0 0 0.0 0 0.0 0 0.0 9 35
199 A 207 ALA A B B C >>T + 204 0 -125.8 74.5 179.8 166.2 12.9 121.9 204 -3.0 204 -2.2 197 -0.9 202 -2.2 8 31
200 A 208 PRO P G G >5TS+ 0 0 -52.9 -38.7 -179.8 68.2 75.0 34.2 0 0.0 203 -2.2 0 0.0 0 0.0 7 19
201 A 209 GLU E G G 35TS+ 0 0 -52.4 -35.9 -179.6 33.3 109.9 41.2 0 0.0 0 0.0 0 0.0 0 0.0 5 17
202 A 210 ILE I G G <5TS- 0 0 -110.1 23.5 177.8 -107.2 121.6 91.3 199 -2.2 0 0.0 0 0.0 0 0.0 7 24
203 A 211 ASN N T g <5TS+ 0 0 58.1 33.7 176.7 130.2 78.6 43.7 200 -2.2 205 -0.7 0 0.0 0 0.0 7 22
204 A 212 GLU E B B C TS- 0 0 -99.8 111.0 -179.5 -127.8 73.7 155.9 0 0.0 209 -1.2 0 0.0 0 0.0 7 28
207 A 215 PRO P T T 3 TS+ 0 0 -57.8 142.0 177.3 12.3 83.5 107.0 0 0.0 0 0.0 0 0.0 0 0.0 8 39
208 A 216 PHE F T h > 3 TS+ 0 0 66.7 18.1 -178.5 144.3 80.7 52.4 196 -2.2 212 -2.8 0 0.0 0 0.0 10 48
209 A 217 LYS K H H > < TS+ 0 0 -56.7 -64.1 -179.0 34.8 70.3 17.5 206 -1.2 213 -1.6 0 0.0 0 0.0 9 50
210 A 218 PRO P H H > TS+ 0 0 -58.7 -40.5 -180.0 51.8 119.4 27.6 0 0.0 214 -2.0 0 0.0 0 0.0 9 60
211 A 219 PHE F H H > TS+ 0 0 -58.4 -49.9 -178.1 49.7 109.9 12.4 0 0.0 215 -3.1 0 0.0 0 0.0 8 64
212 A 220 SER S H H < TS+ 0 0 -65.8 -25.8 176.6 49.2 109.9 44.6 208 -2.8 0 0.0 0 0.0 0 0.0 8 56
213 A 221 TYR Y H H < TS+ 0 0 -76.8 -39.2 -178.7 37.7 119.9 28.6 209 -1.6 0 0.0 0 0.0 0 0.0 11 49
214 A 222 ARG R H H < TS+ 0 0 -79.9 -36.1 -176.8 46.8 115.8 36.8 210 -2.0 216 -0.6 0 0.0 0 0.0 8 67
215 A 223 TYR Y h < T - 0 0 -121.1 112.2 -179.3 -174.7 65.2 158.4 211 -3.1 0 0.0 0 0.0 0 0.0 8 67
216 A 224 HIS H - 0 0 -103.9 156.5 -176.6 -168.7 1.9 137.0 214 -0.6 0 0.0 0 0.0 0 0.0 9 60
217 A 225 VAL V - 0 0 -141.3 152.5 -179.4 -107.2 35.0 163.2 0 0.0 219 -2.1 0 0.0 0 0.0 12 61
218 A 226 PRO P t > > T + 0 0 -78.7 58.0 -174.3 151.4 56.7 103.5 0 0.0 221 -1.8 0 0.0 222 -0.6 12 50
219 A 227 TYR Y T T 4 3>T + 0 0 -67.5 -24.1 179.6 57.9 63.3 42.2 217 -2.1 224 -1.5 0 0.0 0 0.0 14 44
220 A 228 GLU E T T 4 35TS+ 0 0 -77.7 -13.7 -179.4 77.0 88.0 47.9 0 0.0 0 0.0 0 0.0 0 0.0 9 33
221 A 229 ALA A T T 4 <5TS+ 0 0 -57.6 -48.0 173.9 39.8 102.6 22.7 218 -1.8 0 0.0 0 0.0 0 0.0 11 42
222 A 230 SER S T T < 5TS- 0 0 -80.8 165.2 -178.2 -101.7 121.3 125.3 218 -0.6 224 -1.1 0 0.0 0 0.0 11 40
223 A 231 GLN Q T T 5TS+ 0 0 -93.1 53.4 -179.1 148.1 73.1 95.3 0 0.0 0 0.0 0 0.0 0 0.0 8 36
224 A 232 SER S t TS- 0 0 -151.0 149.0 -179.1 -131.1 73.9 170.8 0 0.0 229 -0.8 0 0.0 0 0.0 8 42
227 A 235 PRO P T T 3 TS+ 0 0 -80.3 4.6 -178.1 78.2 96.4 72.3 0 0.0 0 0.0 0 0.0 0 0.0 10 53
228 A 236 PHE F T T 3 TS+ 0 0 -90.8 -8.6 176.2 29.5 102.3 58.9 0 0.0 0 0.0 0 0.0 0 0.0 11 61
229 A 237 TRP W S t < TS+ 0 0 -150.1 130.4 -177.6 128.4 77.1 162.2 226 -0.8 0 0.0 0 0.0 0 0.0 13 60
230 A 238 TYR Y E E DJ - 241 0 -161.4 -169.9 -177.6 -130.0 37.2 152.2 241 -1.1 241 -2.8 0 0.0 0 0.0 17 60
231 A 239 SER S E E DJ - 240 0 -159.3 149.6 179.6 -176.2 14.5 172.1 0 0.0 0 0.0 0 0.0 0 0.0 12 64
232 A 240 ILE I E E DJ - 239 0 -147.5 156.0 178.0 -139.1 17.7 166.2 239 -1.9 239 -2.8 0 0.0 0 0.0 13 67
233 A 241 LYS K E E DJ + 238 0 -116.8 140.5 179.5 172.6 24.1 158.7 29 -3.3 0 0.0 0 0.0 0 0.0 13 66
234 A 242 ARG R E E DJ > T - 237 0 -154.4 124.9 -176.6 -38.3 57.8 156.9 237 -2.6 237 -2.4 0 0.0 0 0.0 13 69
235 A 243 ALA A T T 3 TS- 0 0 59.9 -125.1 -179.6 -21.1 126.9 113.9 112 -0.7 115 -0.6 0 0.0 0 0.0 14 57
236 A 244 SER S T e 3 TS+ 0 0 -97.5 11.5 -178.7 92.1 120.7 74.7 118 -0.7 272 -2.2 0 0.0 0 0.0 18 57
237 A 245 ALA A E E DJk< T - 234 272 -114.5 151.3 177.2 -157.5 55.4 145.7 234 -2.4 234 -2.6 0 0.0 239 -0.5 12 68
238 A 246 HIS H E E DJk - 233 273 -121.7 106.7 -176.3 -161.5 22.9 169.0 272 -2.5 274 -2.0 0 0.0 0 0.0 14 67
239 A 247 ILE I E E DJk - 232 274 -98.6 133.8 178.5 -166.8 7.6 141.4 232 -2.8 232 -1.9 237 -0.5 0 0.0 12 73
240 A 248 ILE I E E DJk - 231 275 -120.1 124.9 -178.6 -160.7 6.0 174.9 274 -2.3 276 -2.8 0 0.0 0 0.0 12 72
241 A 249 VAL V E E DJk - 230 276 -110.3 131.1 -179.1 -169.8 9.8 157.0 230 -2.8 230 -1.1 0 0.0 0 0.0 12 74
242 A 250 LEU L e - 0 0 -117.9 166.5 -177.4 -127.0 21.0 135.6 276 -2.4 244 -0.6 0 0.0 0 0.0 11 73
243 A 251 SER S t > T - 0 0 -119.0 102.0 -178.3 -173.5 14.3 153.1 0 0.0 246 -1.4 0 0.0 0 0.0 13 63
244 A 252 SER S T T 3 TS+ 0 0 -61.1 -26.3 -176.4 44.6 91.3 43.1 242 -0.6 0 0.0 0 0.0 0 0.0 11 58
245 A 253 TYR Y T T 3 TS+ 0 0 -105.4 10.0 175.1 76.5 101.1 79.4 0 0.0 0 0.0 0 0.0 0 0.0 8 49
246 A 254 SER S S t < TS- 0 0 -99.8 -171.8 -178.8 -78.7 97.7 112.2 243 -1.4 0 0.0 0 0.0 0 0.0 7 48
247 A 255 ALA A + 0 0 -102.8 144.4 -179.3 171.5 41.1 143.9 0 0.0 254 -0.5 0 0.0 0 0.0 10 41
248 A 256 TYR Y + 0 0 -133.0 22.1 177.8 137.7 29.5 86.2 0 0.0 0 0.0 0 0.0 0 0.0 11 37
249 A 257 GLY G S t > TS- 0 0 -63.4 166.9 -177.7 -75.1 70.7 98.9 0 0.0 252 -1.7 0 0.0 0 0.0 7 25
250 A 258 ARG R T T 3 TS+ 0 0 -70.3 127.4 -178.5 14.5 121.3 117.2 0 0.0 0 0.0 0 0.0 0 0.0 6 22
251 A 259 GLY G T T 3 TS+ 0 0 97.4 -22.2 178.8 128.3 93.8 81.6 0 0.0 0 0.0 0 0.0 0 0.0 7 17
252 A 260 THR T S h > < TS- 0 0 -62.7 164.0 -179.8 -104.4 74.3 100.8 249 -1.7 256 -3.1 0 0.0 0 0.0 9 26
253 A 261 PRO P H H > TS+ 0 0 -58.1 -43.0 -177.1 48.2 119.1 25.8 0 0.0 257 -3.0 0 0.0 0 0.0 9 32
254 A 262 GLN Q H H > TS+ 0 0 -68.1 -41.8 179.3 46.7 114.1 23.5 247 -0.5 258 -2.4 0 0.0 0 0.0 10 40
255 A 263 TYR Y H H > TS+ 0 0 -61.5 -54.2 180.0 46.2 115.1 12.4 0 0.0 259 -2.0 0 0.0 0 0.0 12 42
256 A 264 THR T H H X TS+ 0 0 -55.5 -45.2 -179.6 51.8 112.1 23.9 252 -3.1 260 -1.7 0 0.0 0 0.0 10 34
257 A 265 TRP W H H X TS+ 0 0 -58.8 -50.4 -178.4 48.9 108.6 20.8 253 -3.0 261 -2.4 0 0.0 0 0.0 10 40
258 A 266 LEU L H H X TS+ 0 0 -57.9 -40.3 -179.9 56.8 106.4 33.7 254 -2.4 262 -2.7 0 0.0 0 0.0 8 57
259 A 267 LYS K H H X TS+ 0 0 -58.4 -52.6 177.8 40.2 112.9 14.3 255 -2.0 263 -1.2 0 0.0 0 0.0 8 39
260 A 268 LYS K H H < TS+ 0 0 -62.3 -41.3 -177.0 55.3 113.7 30.4 256 -1.7 0 0.0 0 0.0 0 0.0 8 33
261 A 269 GLU E H H < > TS+ 0 0 -62.6 -42.9 -178.6 55.0 101.4 20.7 257 -2.4 264 -2.4 0 0.0 0 0.0 9 44
262 A 270 LEU L H H < > TS+ 0 0 -59.8 -33.9 178.9 57.0 104.2 25.2 258 -2.7 265 -1.3 0 0.0 0 0.0 8 46
263 A 271 ARG R T h < 3 TS+ 0 0 -69.3 -13.2 -179.1 57.7 102.4 52.5 259 -1.2 0 0.0 0 0.0 0 0.0 6 31
264 A 272 LYS K T T < TS+ 0 0 -95.6 -4.4 -179.7 108.9 77.7 62.0 261 -2.4 0 0.0 0 0.0 0 0.0 6 38
265 A 273 VAL V t < T - 0 0 -72.8 136.9 -180.0 -165.5 48.9 126.0 262 -1.3 267 -0.5 0 0.0 0 0.0 8 46
266 A 274 LYS K t > > T - 0 0 -127.6 104.8 -178.9 -169.8 9.9 159.2 0 0.0 270 -2.7 0 0.0 269 -1.7 7 40
267 A 275 ARG R T T 4 3 TS+ 0 0 -69.5 -12.5 178.5 65.8 86.4 55.5 265 -0.5 0 0.0 0 0.0 0 0.0 10 43
268 A 276 SER S T T 4 3 TS+ 0 0 -79.3 -13.4 -177.5 33.2 115.2 57.1 0 0.0 0 0.0 0 0.0 0 0.0 6 33
269 A 277 GLU E T T 4 < TS+ 0 0 -109.0 -54.5 178.8 16.9 136.2 38.5 266 -1.7 0 0.0 0 0.0 0 0.0 9 37
270 A 278 THR T t < T - 0 0 -124.2 99.0 -179.3 -172.5 69.3 163.6 266 -2.7 0 0.0 0 0.0 0 0.0 16 53
271 A 279 PRO P + 0 0 -61.9 -37.5 -178.8 72.8 63.7 27.2 0 0.0 0 0.0 0 0.0 0 0.0 15 51
272 A 280 TRP W E E Dk - 237 0 -89.4 125.7 -178.9 -168.0 62.0 132.4 236 -2.2 238 -2.5 0 0.0 274 -0.5 12 64
273 A 281 LEU L E E Dk + 238 0 -115.7 117.1 -177.6 177.9 11.5 162.9 0 0.0 309 -2.2 0 0.0 310 -1.0 14 71
274 A 282 ILE I E E Dkl - 239 310 -120.9 144.1 178.6 -159.7 12.9 156.3 238 -2.0 240 -2.3 272 -0.5 0 0.0 13 79
275 A 283 VAL V E E Dkl - 240 311 -125.3 142.3 179.7 -163.2 4.4 160.6 310 -1.9 312 -2.0 0 0.0 0 0.0 12 71
276 A 284 LEU L E E Dkl + 241 312 -123.9 145.7 179.3 148.0 20.6 161.8 240 -2.8 242 -2.4 0 0.0 0 0.0 14 71
277 A 285 MET M e - 0 0 -166.4 157.4 -178.9 -125.7 43.1 161.5 312 -1.3 0 0.0 0 0.0 0 0.0 17 71
278 A 286 HIS H S S S+ 0 0 -78.3 -58.3 -178.7 57.5 91.1 15.9 0 0.0 314 -2.4 0 0.0 0 0.0 16 67
279 A 287 SER S S S S- 0 0 -82.5 114.3 -179.3 -125.5 88.6 139.4 0 0.0 0 0.0 0 0.0 0 0.0 12 63
280 A 288 PRO P - 0 0 -61.3 132.0 179.7 -150.3 7.6 102.9 0 0.0 292 -0.5 0 0.0 0 0.0 15 69
281 A 289 LEU L S S S+ 0 0 -72.9 -33.0 178.4 37.8 92.1 35.5 0 0.0 0 0.0 0 0.0 0 0.0 11 63
282 A 290 TYR Y S S S+ 0 0 -119.0 123.3 -179.6 148.5 77.1 172.8 0 0.0 0 0.0 0 0.0 0 0.0 8 70
283 A 291 ASN N - 0 0 -160.5 124.6 -179.3 -171.2 28.6 151.5 0 0.0 0 0.0 0 0.0 0 0.0 10 61
284 A 292 SER S + 0 0 -107.6 20.6 177.0 105.6 54.4 84.9 0 0.0 365 -3.2 0 0.0 0 0.0 10 50
285 A 293 TYR Y B B D S- 364 0 -91.2 162.1 -176.4 -124.0 74.8 133.1 0 0.0 0 0.0 0 0.0 0 0.0 12 48
286 A 294 ASN N S t > TS+ 0 0 -74.0 -36.8 -179.4 85.1 89.2 30.3 363 -2.6 289 -1.5 0 0.0 288 -0.5 8 34
287 A 295 HIS H T T 3 TS- 0 0 -69.9 119.2 -178.6 -1.1 111.1 126.2 363 -0.7 0 0.0 0 0.0 0 0.0 7 35
288 A 296 HIS H T T > TS+ 0 0 71.8 26.7 -178.5 178.5 89.0 43.7 286 -0.5 291 -1.6 0 0.0 0 0.0 8 36
289 A 297 PHE F T T < T - 0 0 -69.4 126.5 179.2 -0.2 66.2 116.2 286 -1.5 0 0.0 0 0.0 0 0.0 9 36
290 A 298 MET M T T > TS+ 0 0 72.4 16.6 178.9 124.3 88.7 57.4 0 0.0 293 -1.0 0 0.0 0 0.0 8 34
291 A 299 GLU E T T X TS+ 0 0 -72.0 -34.2 -179.2 59.9 70.8 31.1 288 -1.6 294 -0.6 0 0.0 0 0.0 9 31
292 A 300 GLY G T h > 3 TS+ 0 0 -75.0 5.2 -179.2 98.1 77.9 65.9 280 -0.5 296 -2.1 0 0.0 0 0.0 11 43
293 A 301 GLU E H H > < TS+ 0 0 -59.1 -52.5 -178.2 52.1 76.5 15.2 290 -1.0 297 -3.2 0 0.0 0 0.0 8 37
294 A 302 ALA A H H > < TS+ 0 0 -52.5 -50.0 -178.8 40.8 115.2 20.0 291 -0.6 298 -0.7 0 0.0 0 0.0 7 33
295 A 303 MET M H H > > TS+ 0 0 -66.8 -34.8 180.0 57.4 112.7 29.6 0 0.0 299 -3.0 0 0.0 298 -0.8 11 47
296 A 304 ARG R H H X 3 TS+ 0 0 -56.9 -52.9 -178.6 53.3 102.4 15.5 292 -2.1 300 -2.6 0 0.0 0 0.0 9 51
297 A 305 THR T H H < 3 TS+ 0 0 -57.6 -18.6 -178.3 41.9 116.2 49.3 293 -3.2 0 0.0 0 0.0 0 0.0 7 36
298 A 306 LYS K H H < < TS+ 0 0 -99.9 -40.2 -179.6 19.4 127.2 30.6 295 -0.8 0 0.0 294 -0.7 0 0.0 9 43
299 A 307 PHE F H H X > TS+ 0 0 -108.1 -10.3 -176.2 91.2 93.6 50.2 295 -3.0 303 -2.0 0 0.0 302 -0.6 8 57
300 A 308 GLU E H H X 3 TS+ 0 0 -52.0 -52.9 -178.6 50.7 87.9 22.0 296 -2.6 304 -2.1 0 0.0 0 0.0 11 56
301 A 309 ALA A H H > 3 TS+ 0 0 -54.9 -36.3 179.7 53.3 108.0 32.1 0 0.0 305 -3.0 0 0.0 0 0.0 8 44
302 A 310 TRP W H H > < TS+ 0 0 -65.0 -40.9 -178.8 52.1 107.5 25.3 299 -0.6 306 -2.3 0 0.0 0 0.0 7 45
303 A 311 PHE F H H < >TS+ 0 0 -61.7 -42.5 -178.2 43.4 113.0 24.6 299 -2.0 308 -2.1 0 0.0 0 0.0 11 54
304 A 312 VAL V H H < >5TS+ 0 0 -70.2 -42.4 178.0 53.4 113.0 20.5 300 -2.1 307 -0.9 0 0.0 0 0.0 12 45
305 A 313 LYS K H H < 35TS+ 0 0 -60.8 -36.1 -178.3 38.3 114.9 31.2 301 -3.0 0 0.0 0 0.0 0 0.0 8 42
306 A 314 TYR Y T h < 35TS- 0 0 -97.6 3.0 177.8 -124.8 108.1 68.9 302 -2.3 0 0.0 0 0.0 0 0.0 7 46
307 A 315 LYS K T T <5T - 0 0 61.1 50.1 -179.4 -163.7 30.6 29.3 304 -0.9 0 0.0 0 0.0 0 0.0 12 54
308 A 316 VAL V t T - 0 0 -149.1 123.3 -178.9 -153.7 29.3 163.9 324 -2.0 345 -0.7 0 0.0 0 0.0 8 42
343 A 351 GLN Q T T 3 TS+ 0 0 -83.8 8.0 176.6 57.7 96.0 71.0 0 0.0 0 0.0 0 0.0 0 0.0 11 40
344 A 352 SER S T T 3 TS+ 0 0 -104.1 -15.4 -177.8 94.4 89.6 62.6 0 0.0 0 0.0 0 0.0 0 0.0 11 43
345 A 353 ALA A S t < TS- 0 0 -80.8 150.9 179.6 -116.2 80.0 121.2 342 -0.7 0 0.0 0 0.0 0 0.0 14 53
346 A 354 PRO P - 0 0 -75.9 167.3 174.5 -105.4 27.0 102.9 0 0.0 325 -0.8 0 0.0 0 0.0 15 67
347 A 355 VAL V E E Dm - 310 0 -93.4 130.0 -179.8 -142.9 32.5 150.2 309 -1.9 311 -2.0 0 0.0 349 -0.6 12 70
348 A 356 TYR Y E E Dm + 311 0 -99.4 118.4 179.8 179.8 22.7 149.0 0 0.0 322 -1.9 0 0.0 0 0.0 15 76
349 A 357 ILE I E E DmO - 312 321 -115.4 144.2 177.8 -157.3 13.9 152.3 311 -1.8 313 -1.4 347 -0.6 0 0.0 12 73
350 A 358 THR T E E DmO + 313 320 -125.0 113.4 178.7 168.7 17.0 163.2 320 -2.8 320 -1.0 0 0.0 0 0.0 15 81
351 A 359 ILE I E E D O + 0 319 -115.1 54.0 179.6 133.1 27.6 111.6 313 -2.3 0 0.0 0 0.0 0 0.0 21 79
352 A 360 GLY G e + 0 0 -90.0 30.7 -175.8 95.8 48.2 81.0 318 -0.8 0 0.0 316 -0.7 0 0.0 17 78
353 A 361 ASP D + 0 0 -109.1 25.8 -178.4 115.8 34.4 85.4 0 0.0 380 -1.6 0 0.0 0 0.0 20 72
354 A 362 ALA A S S S- 0 0 -70.1 -12.5 176.7 -83.2 95.2 51.6 126 -1.7 0 0.0 0 0.0 0 0.0 18 68
355 A 363 GLY G t > > T - 0 0 146.6 -35.5 -174.5 -172.1 49.5 86.6 0 0.0 358 -2.8 0 0.0 359 -0.6 20 62
356 A 364 ASN N T T 4 3 TS- 0 0 37.6 -136.5 -179.5 -28.6 80.4 97.0 127 -2.1 131 -1.0 0 0.0 0 0.0 16 60
357 A 365 TYR Y T T 4 3 TS- 0 0 -95.9 32.6 -179.6 -76.1 110.1 91.8 0 0.0 0 0.0 0 0.0 0 0.0 12 48
358 A 366 GLY G T T 4 < TS+ 0 0 85.9 28.9 -178.7 124.1 94.4 47.1 355 -2.8 0 0.0 0 0.0 0 0.0 11 42
359 A 367 VAL V t < T - 0 0 -128.9 137.0 -179.5 -155.5 41.4 163.0 355 -0.6 0 0.0 0 0.0 0 0.0 7 44
360 A 368 ILE I - 0 0 -107.5 147.1 176.5 -130.7 17.9 140.1 0 0.0 362 -0.8 0 0.0 0 0.0 11 46
361 A 369 ASP D + 0 0 -93.8 109.5 -177.2 161.6 37.8 149.0 317 -2.8 0 0.0 0 0.0 0 0.0 10 37
362 A 370 SER S + 0 0 -104.5 -22.5 178.6 102.8 35.4 46.3 360 -0.8 0 0.0 0 0.0 0 0.0 7 34
363 A 371 ASN N - 0 0 -72.5 119.2 -178.1 -177.1 50.6 124.2 0 0.0 286 -2.6 0 0.0 287 -0.7 7 28
364 A 372 MET M B B D - 285 0 -114.1 150.2 -177.5 -101.1 35.4 151.4 0 0.0 0 0.0 0 0.0 0 0.0 8 35
365 A 373 ILE I - 0 0 -79.2 128.0 -175.1 -104.6 53.8 125.0 284 -3.2 0 0.0 0 0.0 0 0.0 9 29
366 A 374 GLN Q S S S+ 0 0 -112.8 125.7 0.6 28.5 96.9 158.3 0 0.0 0 0.0 0 0.0 0 0.0 5 21
367 A 375 PRO P S S S- 0 0 -89.4 159.0 -178.5 -109.8 96.7 76.1 0 0.0 0 0.0 0 0.0 0 0.0 4 19
368 A 376 GLN Q - 0 0 -47.3 114.7 -179.4 -125.8 42.2 95.3 0 0.0 0 0.0 0 0.0 0 0.0 8 27
369 A 377 PRO P t > T - 0 0 -66.4 162.8 -179.6 -106.0 18.3 108.5 0 0.0 372 -1.4 0 0.0 0 0.0 8 33
370 A 378 GLU E T T 3 TS+ 0 0 -55.0 -38.1 -177.3 58.3 114.9 45.1 0 0.0 0 0.0 0 0.0 0 0.0 5 33
371 A 379 TYR Y T e 3 TS+ 0 0 -72.2 -18.3 -177.8 85.0 89.6 43.7 0 0.0 323 -2.6 0 0.0 373 -0.5 11 42
372 A 380 SER S E E DN < T - 322 0 -87.8 125.6 -179.4 -178.8 53.6 134.0 369 -1.4 0 0.0 0 0.0 0 0.0 13 48
373 A 381 ALA A E E D* - 0 0 -95.1 -28.5 -176.7 -6.6 68.0 41.2 321 -2.1 0 0.0 371 -0.5 0 0.0 10 48
374 A 382 PHE F E E DN + 321 0 -167.1 135.4 178.7 179.1 62.2 154.6 321 -1.5 321 -2.3 0 0.0 0 0.0 7 45
375 A 383 ARG R E E DN + 320 0 -148.9 139.6 178.5 169.8 3.6 171.1 0 0.0 0 0.0 0 0.0 0 0.0 9 55
376 A 384 GLU E E E DN - 319 0 -152.8 138.7 -179.6 -137.0 31.7 167.5 319 -1.5 319 -2.9 0 0.0 378 -1.3 7 52
377 A 385 ALA A + 0 0 -93.3 72.0 178.4 120.2 60.9 126.8 0 0.0 0 0.0 0 0.0 0 0.0 11 52
378 A 386 SER S - 0 0 -133.3 153.4 178.8 -108.6 65.7 160.2 376 -1.3 0 0.0 0 0.0 0 0.0 10 52
379 A 387 PHE F e + 0 0 -78.3 146.1 -179.8 112.4 63.4 125.1 0 0.0 399 -2.8 0 0.0 0 0.0 15 59
380 A 388 GLY G E E C Q - 0 398 173.4 -175.8 179.9 -115.9 51.9 168.1 353 -1.6 0 0.0 0 0.0 0 0.0 13 72
381 A 389 HIS H E E C Q - 0 397 -137.5 171.6 179.3 -133.7 24.3 148.9 397 -1.2 397 -1.9 0 0.0 0 0.0 16 79
382 A 390 GLY G E E CGQ - 124 396 -126.3 173.5 179.6 -152.2 4.8 134.4 124 -2.4 124 -2.4 0 0.0 0 0.0 12 80
383 A 391 MET M E E CGQ - 123 395 -147.5 133.4 178.4 -160.5 1.6 167.0 395 -1.6 395 -1.9 0 0.0 385 -0.6 12 66
384 A 392 PHE F E E CGQ - 122 394 -120.0 103.7 -175.4 -165.4 15.4 159.4 122 -2.4 122 -2.4 0 0.0 386 -0.8 12 68
385 A 393 ASP D E E CGQ - 121 393 -98.4 104.4 -178.2 -153.1 5.6 141.2 393 -2.8 393 -2.7 383 -0.6 0 0.0 11 52
386 A 394 ILE I E E CGQ + 120 392 -78.2 138.0 -178.6 166.2 21.7 122.0 120 -2.5 120 -1.0 384 -0.8 0 0.0 12 56
387 A 395 LYS K e - 0 0 -115.7 -53.7 -178.7 -16.6 58.8 41.3 391 -2.9 0 0.0 0 0.0 0 0.0 12 40
388 A 396 ASN N S S S- 0 0 -137.2 -166.3 175.0 -81.2 80.3 140.5 391 -2.1 0 0.0 0 0.0 0 0.0 10 40
389 A 397 ARG R S S S+ 0 0 -78.0 -10.4 -178.1 36.5 132.7 57.5 0 0.0 0 0.0 0 0.0 0 0.0 12 43
390 A 398 THR T S e S+ 0 0 -113.3 -30.3 -178.4 57.9 112.3 45.4 0 0.0 414 -1.9 0 0.0 0 0.0 10 42
391 A 399 HIS H E E C R + 0 413 -117.7 143.7 177.6 158.1 42.9 154.3 0 0.0 387 -2.9 0 0.0 388 -2.1 11 44
392 A 400 ALA A E E CQR - 386 412 -150.4 136.9 -178.7 -144.7 25.7 170.1 412 -1.4 412 -3.4 0 0.0 394 -0.5 13 53
393 A 401 HIS H E E CQR - 385 411 -114.5 125.1 179.3 -162.2 9.3 155.1 385 -2.7 385 -2.8 0 0.0 0 0.0 12 48
394 A 402 PHE F E E CQR + 384 410 -103.1 144.1 -178.0 177.2 11.8 143.7 410 -2.9 410 -2.4 392 -0.5 0 0.0 12 65
395 A 403 SER S E E CQR - 383 409 -141.2 155.1 -179.7 -153.5 18.2 163.1 383 -1.9 383 -1.6 0 0.0 0 0.0 12 57
396 A 404 TRP W E E CQR - 382 408 -134.6 120.8 -179.1 -159.9 12.0 171.3 408 -2.1 407 -1.4 0 0.0 408 -1.0 12 65
397 A 405 ASN N E E CQR - 381 406 -106.3 122.4 -178.0 -138.5 12.6 155.9 381 -1.9 381 -1.2 0 0.0 0 0.0 14 60
398 A 406 ARG R E E CQ > T - 380 0 -79.6 152.2 -178.5 -128.6 14.3 118.7 405 -0.7 401 -0.6 0 0.0 0 0.0 13 52
399 A 407 ASN N T e 3 TS+ 0 0 -69.1 -24.2 -179.9 56.3 108.9 39.0 379 -2.8 0 0.0 0 0.0 0 0.0 12 51
400 A 408 GLN Q T T 3 TS+ 0 0 -75.9 -28.9 -178.8 71.3 99.5 43.2 0 0.0 0 0.0 0 0.0 0 0.0 5 36
401 A 409 ASP D S t < TS- 0 0 -77.8 178.5 177.6 -85.1 97.9 103.3 398 -0.6 0 0.0 0 0.0 0 0.0 9 31
402 A 410 GLY G t > T - 0 0 -82.9 161.7 -179.7 -96.7 47.5 118.8 0 0.0 405 -2.5 0 0.0 0 0.0 7 29
403 A 411 VAL V T T 3 TS+ 0 0 -46.6 -30.2 -178.3 44.8 124.0 43.7 0 0.0 0 0.0 0 0.0 0 0.0 11 33
404 A 412 ALA A T T 3 TS+ 0 0 -102.0 6.3 -179.1 108.0 84.6 67.1 0 0.0 406 -1.0 0 0.0 0 0.0 8 31
405 A 413 VAL V e < T - 0 0 -93.6 103.8 179.9 -157.4 54.2 134.7 402 -2.5 407 -1.0 0 0.0 398 -0.7 8 31
406 A 414 GLU E E E CR - 397 0 -79.2 101.5 178.7 -171.0 6.2 126.6 404 -1.0 0 0.0 0 0.0 0 0.0 9 39
407 A 415 ALA A E E C* S+ 0 0 -69.8 -12.0 176.0 18.1 77.6 57.5 396 -1.4 0 0.0 405 -1.0 0 0.0 9 37
408 A 416 ASP D E E CR S+ 396 0 -155.7 142.9 -176.1 175.6 73.6 159.2 396 -1.0 396 -2.1 0 0.0 0 0.0 7 44
409 A 417 SER S E E CR + 395 0 -153.1 150.1 -174.5 167.1 3.5 172.2 0 0.0 0 0.0 0 0.0 0 0.0 9 44
410 A 418 VAL V E E CR - 394 0 -165.0 146.9 177.8 -129.4 28.0 172.9 394 -2.4 394 -2.9 0 0.0 0 0.0 8 42
411 A 419 TRP W E E CR - 393 0 -104.3 139.9 179.0 -148.0 21.9 150.2 0 0.0 0 0.0 0 0.0 0 0.0 9 45
412 A 420 PHE F E E CR - 392 0 -107.1 134.9 178.0 -153.1 3.4 153.5 392 -3.4 392 -1.4 0 0.0 414 -0.5 11 55
413 A 421 PHE F E E CR - 391 0 -109.2 131.1 -175.4 -100.3 36.2 162.0 0 0.0 0 0.0 0 0.0 0 0.0 13 46
414 A 422 ASN N e > T - 0 0 -58.7 112.7 -179.7 -143.3 19.9 105.6 390 -1.9 418 -2.9 412 -0.5 0 0.0 15 53
415 A 423 ARG R T T 4 TS+ 0 0 -49.6 -18.1 179.2 36.3 102.2 50.5 0 0.0 0 0.0 0 0.0 0 0.0 13 54
416 A 424 HIS H T T 4 TS+ 0 0 -103.5 -39.9 -176.7 26.8 128.6 36.6 0 0.0 0 0.0 0 0.0 0 0.0 8 44
417 A 425 TRP W T T 4 TS+ 0 0 -95.4 -26.2 -175.2 17.0 136.5 40.2 0 0.0 0 0.0 0 0.0 0 0.0 9 38
418 A 426 TYR Y t < T + 0 0 -150.7 58.9 -179.9 179.7 66.1 107.3 414 -2.9 420 -3.7 0 0.0 0 0.0 8 34
419 A 427 PRO P + 0 0 -54.9 45.2 -177.6 143.4 31.4 95.1 0 0.0 0 0.0 0 0.0 0 0.0 10 36
420 A 428 VAL V - 0 0 -95.1 154.5 -179.6 -88.2 67.1 120.9 418 -3.7 422 -0.8 0 0.0 0 0.0 8 29
421 A 429 ASP D + 0 0 -60.4 100.6 176.8 169.1 49.1 118.7 0 0.0 0 0.0 0 0.0 0 0.0 6 31
422 A 430 ASP D + 0 0 -86.4 -6.2 -178.0 137.2 32.2 56.8 420 -0.8 0 0.0 0 0.0 0 0.0 7 36
423 A 431 SER S 0 0 -54.6 119.0 -179.0 999.9 999.9 97.1 0 0.0 0 0.0 0 0.0 0 0.0 5 41
424 A 432 THR T 0 0 -85.1 999.9 999.9 999.9 999.9 138.5 0 0.0 0 0.0 0 0.0 0 0.0 5 32
1kbpA.pdb
1KBP HYDROLASE (PHOSPHORIC MONOESTER) MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand B TT GGG STT EEEEEEE SSSSSEEEEEEEESSS EEEEEESSS EEEE EEE B SS B EEEEEEEES TT EEEEEE S Kabs/Sand
chirality ---++-+++---+----++-+-+--+-+-++---++---+--+--+--++--++-+-----+--+------+-------+---++--++------+++- chirality
bends SS SSS SSS S SSSSS SSS SSS SS S SS S bends
turns TTTTTTTT TTTT TTTT turns
5-turns 5-turns
3-turns >33X>3<< >33< >33< 3-turns
bridge-2 BBBBBBBB DDDD EEE FFFFFF bridge-2
bridge-1 A A**AAAA AAAA*A CCCC CCCC EEE B B BBBBBBBB DDDD bridge-1
sheets AAAAAAA AAAAAAAA BBBBBB BBBB AAA AAAAAAAA BBBBBB sheets
4-turns 4-turns
summary B tTTgGGGg tTTt EEEEEEEeSSSSeEEEEEEEESSS eEEEEEEeSS EEEEeEEE B SS B EEEEEEEEe tTTeEEEEEE S summary
sequence RDMPLDSDVFRVPPGYNAPQQVHITQGDLVGRAMIISWVTMDEPGSSAVRYWSEKNGRKRIAKGKMSTYRFFNYSSGFIHHTTIRKLKYNTKYYYEVGLR sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand SS EEEEEE TT EEEEEE S SBHHHHHHHHHHHH SS SEEE S GGGSGGG THHHHHHHHHTHHHHTTS EEE GGGT BG Kabs/Sand
chirality +---+--------+-++-+----+++++-+-++++++++++++-+---+-----+---++++-+---+++++++++++++++++----+---+++-++++ chirality
bends SS SS S SSSSSSSSSSSSSS SS S S SSSSS SSSSSSSSSSSSSSSSSS SSS S bends
turns TTTT TTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTT TT turns
5-turns >5 5-turns
3-turns >33< >33< >>33><<< >>3>3<< >> 3-turns
bridge-2 hhh iii bridge-2
bridge-1 FFFFFF GGGGG A hhh iii C bridge-1
sheets BBBBBB CCCCCC CCC CCC sheets
4-turns >>>>XXXXXX<<<< >>>>XXX<<4><<4< >444< 4-turns
summary SS EEEEEEe tTTt EEEEEE S ShHHHHHHHHHHHHhSS eEEEeS gGGGgGGGghHHHHHHHHHhHHHHhTteEEEe gGGGgt BG summary
sequence NTTRRFSFITPPQTGLDVPYTFGLIGDLGQSFDSNTTLSHYELSPKKGQTVLFVGDLSYADRYPNHDNVRWDTWGRFTERSVAYQPWIWTAGNHEIEFAP sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand GGTB STTHHHHHH TTTTT SSTTSEEEEETTEEEEE TTS STTSHHHHHHHHHHTT TTT EEEEE SS SS BSTTTTTTHHHHHHHH Kabs/Sand
chirality +-+++-++++++++---++++-+-+-+++---+--+-------++-++-++-++++++++++++--+++-+-+--+-+--++-+-+-+-+++++++++++ chirality
bends SSS SSSSSSSSS SSSS SSSSS SS SSS SSSSSSSSSSSSSSSS SSS SS SS SSSS SSSSSSSSSSS bends
turns TTTT TTTTTTTTTT TTTTTTT TTTT TTTT TTTT TTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTT turns
5-turns 555< >5555< 5-turns
3-turns 3<< >33< >33< >33< >33< >33< >33< >>3<<>33< >3><>X3<<>33<>3 3-turns
bridge-2 kkkkk lll bridge-2
bridge-1 C JJJJJ JJJJJ kkkkk D bridge-1
sheets DDDDD DDDDD DDDDD sheets
4-turns >>>><<<< >444< >>>>XXXX<<<< >444< >>>>X<5555< 5-turns
3-turns 3< >33< >33< >33< >33< >33 3-turns
bridge-2 mmmm OOO OOO QQQQQQQ RRRRRRR bridge-2
bridge-1 lll NNNN PP PP mmmm D N*NNN GGGGG QQQQQQQ bridge-1
sheets DDDD DDDD EE EE DDDDD DDDDD CCCCCCC CCCCCCCC sheets
4-turns >><<<< >444< 4-turns
summary HHHHHhTteEEEE SSSeEEEEeeEE SSS S EEeTTt EEEEEe StTTTt B SS tTeEEEEE eEEEEEEEeSSeEEEEEEEEeT summary
sequence AWFVKYKVDVVFAGHVHAYERSERVSNIAYKITDGLCTPVKDQSAPVYITIGDAGNYGVIDSNMIQPQPEYSAFREASFGHGMFDIKNRTHAHFSWNRNQ sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand S TT EEEEEEEE TTT Kabs/Sand
chirality --++--+++-----+++++-++ chirality
bends S SS SS SSS bends
turns TTTTT TTTTT turns
5-turns 5-turns
3-turns <>33< 3-turns
bridge-2 bridge-2
bridge-1 R*RRRRRR bridge-1
sheets CCCCCCCC sheets
4-turns >444< 4-turns
summary ttTTeEEEEEEEEeTTTt summary
sequence DGVAVEADSVWFFNRHWYPVDDST sequence
410 420