Secondary structure calculation program - copyright by David Keith Smith, 1989
1dfaA.pdb
1DFA HYDROLASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 405
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 CYS C 0 0 999.9 -22.0 179.7 999.9 999.9 999.9 0 0.0 76 -0.9 0 0.0 0 0.0 11 56
2 A 2 PHE F B B A - 75 0 -132.9 140.8 178.9 -112.4 999.9 172.0 0 0.0 383 -1.5 0 0.0 0 0.0 12 59
3 A 3 ALA A t > T - 0 0 -55.4 168.8 178.6 -79.0 53.0 87.0 74 -2.1 6 -1.1 0 0.0 0 0.0 13 47
4 A 4 LYS K T T 3 TS+ 0 0 -75.3 126.5 179.3 32.4 117.4 131.2 0 0.0 0 0.0 0 0.0 0 0.0 10 38
5 A 5 GLY G T T 3 TS+ 0 0 110.2 -2.0 -179.6 150.5 73.4 69.1 0 0.0 0 0.0 0 0.0 0 0.0 7 32
6 A 6 THR T e < T - 0 0 -68.1 121.2 178.3 -138.7 39.5 117.4 3 -1.1 18 -2.3 0 0.0 0 0.0 12 47
7 A 7 ASN N E E AA - 17 0 -83.9 130.1 178.1 -169.9 20.4 130.9 0 0.0 398 -2.6 0 0.0 0 0.0 11 45
8 A 8 VAL V E E AAB - 16 397 -115.9 156.4 179.6 -112.7 25.0 147.2 16 -2.3 16 -1.7 0 0.0 0 0.0 13 60
9 A 9 LEU L E E AA - 15 0 -90.2 131.2 -179.3 -139.4 28.4 142.0 396 -2.0 28 -2.5 0 0.0 0 0.0 15 61
10 A 10 MET M B e C > T - 27 0 -92.8 146.4 -179.4 -109.3 25.0 130.4 14 -4.4 13 -3.2 0 0.0 0 0.0 13 54
11 A 11 ALA A T T 3 TS+ 0 0 -47.1 -16.1 178.2 56.1 119.8 58.8 26 -2.7 0 0.0 0 0.0 0 0.0 13 48
12 A 12 ASP D T T 3 TS- 0 0 -102.5 14.2 -179.8 -98.7 128.1 75.4 0 0.0 0 0.0 0 0.0 0 0.0 9 41
13 A 13 GLY G S t < TS+ 0 0 79.3 14.4 -179.9 136.5 83.1 53.6 10 -3.2 0 0.0 0 0.0 0 0.0 11 50
14 A 14 SER S e - 0 0 -90.2 152.1 179.3 -130.6 47.9 123.2 0 0.0 10 -4.4 0 0.0 0 0.0 7 44
15 A 15 ILE I E E AA + 9 0 -111.9 138.0 -179.7 162.1 29.8 152.5 0 0.0 0 0.0 0 0.0 0 0.0 9 41
16 A 16 GLU E E E AA - 8 0 -152.6 144.3 179.1 -99.2 40.4 172.5 8 -1.7 8 -2.3 0 0.0 0 0.0 10 36
17 A 17 CYS C E E AA > T - 7 0 -60.7 147.1 -178.4 -115.6 36.6 104.1 0 0.0 20 -1.3 0 0.0 0 0.0 11 38
18 A 18 ILE I G e > TS+ 0 0 -52.3 -37.8 -179.0 52.3 114.9 27.2 6 -2.3 21 -1.0 0 0.0 0 0.0 14 51
19 A 19 GLU E G G 3 TS+ 0 0 -75.1 -21.8 -179.4 58.8 99.7 50.7 0 0.0 0 0.0 0 0.0 0 0.0 9 37
20 A 20 ASN N G G < TS+ 0 0 -95.1 14.6 178.3 97.3 87.7 72.4 17 -1.3 0 0.0 0 0.0 0 0.0 6 32
21 A 21 ILE I g < T - 0 0 -101.1 150.9 -179.8 -176.6 50.7 136.5 18 -1.0 0 0.0 0 0.0 0 0.0 8 43
22 A 22 GLU E t > T - 0 0 -139.9 164.2 178.6 -65.4 40.2 158.8 0 0.0 25 -2.0 0 0.0 0 0.0 8 31
23 A 23 VAL V T T 3 TS+ 0 0 -47.6 142.3 -179.9 33.7 119.4 96.4 0 0.0 0 0.0 0 0.0 0 0.0 9 30
24 A 24 GLY G T T 3 TS+ 0 0 98.1 -34.4 176.6 119.9 87.0 92.2 37 -2.8 0 0.0 0 0.0 0 0.0 7 23
25 A 25 ASN N t < T - 0 0 -60.2 144.4 -179.6 -134.9 61.7 111.5 22 -2.0 37 -2.2 0 0.0 27 -0.6 9 37
26 A 26 LYS K - 0 0 -113.9 117.4 179.6 -159.1 16.0 158.5 0 0.0 11 -2.7 0 0.0 0 0.0 10 48
27 A 27 VAL V B B C - 10 0 -83.2 173.7 -179.9 -91.9 32.2 105.8 25 -0.6 35 -2.3 0 0.0 29 -0.5 15 59
28 A 28 MET M B B D - 34 0 -92.2 124.9 177.6 -152.2 39.8 142.9 9 -2.5 396 -2.4 0 0.0 0 0.0 15 56
29 A 29 GLY G t > T - 0 0 -85.9 174.4 180.0 -95.8 32.8 112.7 33 -2.3 32 -1.5 27 -0.5 0 0.0 12 53
30 A 30 LYS K T T 3 TS+ 0 0 -54.5 -40.3 -178.8 51.7 121.3 33.8 0 0.0 0 0.0 0 0.0 0 0.0 11 53
31 A 31 ASP D T T 3 TS- 0 0 -81.3 -0.3 -178.3 -99.7 121.2 66.4 0 0.0 0 0.0 0 0.0 0 0.0 6 43
32 A 32 GLY G S t < TS+ 0 0 88.0 9.2 179.2 119.8 90.9 55.5 29 -1.5 0 0.0 0 0.0 0 0.0 10 47
33 A 33 ARG R - 0 0 -108.0 147.4 -179.3 -96.2 68.2 144.8 0 0.0 29 -2.3 0 0.0 0 0.0 9 37
34 A 34 PRO P B B D - 28 0 -64.6 146.1 176.1 -153.9 27.4 104.1 0 0.0 0 0.0 0 0.0 0 0.0 11 42
35 A 35 ARG R - 0 0 -109.6 174.2 -176.2 -119.6 19.7 132.1 27 -2.3 0 0.0 0 0.0 0 0.0 13 45
36 A 36 GLU E - 0 0 -127.9 117.2 180.0 -142.5 9.0 161.1 0 0.0 38 -0.7 0 0.0 388 -0.6 11 39
37 A 37 VAL V B B E + 387 0 -79.1 114.8 -179.1 163.0 29.3 129.5 25 -2.2 24 -2.8 0 0.0 0 0.0 15 44
38 A 38 ILE I + 0 0 -115.6 12.4 -179.8 12.5 62.9 74.9 386 -3.2 0 0.0 36 -0.7 0 0.0 10 30
39 A 39 LYS K - 0 0 -179.4 154.7 179.6 -147.0 53.6 159.6 0 0.0 386 -2.2 0 0.0 0 0.0 9 32
40 A 40 LEU L - 0 0 -138.3 92.4 -179.6 -166.8 25.3 144.5 0 0.0 0 0.0 0 0.0 0 0.0 11 38
41 A 41 PRO P - 0 0 -81.3 153.5 -178.9 -173.1 5.8 117.8 0 0.0 0 0.0 0 0.0 0 0.0 8 33
42 A 42 ARG R + 0 0 -137.9 179.4 -179.8 122.9 16.9 137.9 0 0.0 0 0.0 0 0.0 0 0.0 9 35
43 A 43 GLY G E E BB - 382 0 157.9 -165.5 179.5 -99.3 41.8 167.8 382 -0.9 382 -2.4 0 0.0 0 0.0 8 27
44 A 44 ARG R E E BB + 381 0 -155.5 140.8 177.8 108.1 48.4 172.3 0 0.0 0 0.0 0 0.0 0 0.0 8 26
45 A 45 GLU E E E BB - 380 0 179.4 -164.6 177.2 -24.3 69.6 166.9 380 -1.2 380 -1.4 0 0.0 0 0.0 11 31
46 A 46 THR T E E BB - 379 0 -64.2 137.8 178.4 -158.8 61.9 117.9 0 0.0 77 -2.5 0 0.0 0 0.0 11 32
47 A 47 MET M E E B*C - 0 76 -118.6 151.2 178.8 -145.1 1.7 155.7 378 -1.0 377 -3.0 0 0.0 0 0.0 14 42
48 A 48 TYR Y E E BBC - 376 75 -123.6 145.6 178.7 -135.2 8.2 163.6 75 -2.3 75 -1.6 0 0.0 50 -0.6 13 42
49 A 49 SER S E E BBC - 375 74 -95.1 117.6 178.7 -167.2 20.1 145.0 375 -2.1 375 -1.8 0 0.0 51 -0.5 13 48
50 A 50 VAL V E E BBC + 374 73 -108.3 125.1 179.7 162.8 17.5 163.9 73 -3.1 73 -2.4 48 -0.6 0 0.0 12 55
51 A 51 VAL V E E BBC - 373 72 -142.2 142.4 178.7 -101.8 42.2 177.2 373 -2.0 373 -2.7 49 -0.5 0 0.0 11 51
52 A 52 GLN Q E E BB - 372 0 -63.2 140.5 178.4 -109.6 43.6 112.3 71 -1.9 0 0.0 0 0.0 0 0.0 11 44
53 A 53 LYS K e + 0 0 -72.8 127.1 -177.0 173.9 48.9 125.1 371 -2.6 0 0.0 0 0.0 0 0.0 8 34
54 A 54 SER S - 0 0 -141.6 148.2 -178.1 -122.7 42.0 177.7 0 0.0 0 0.0 0 0.0 0 0.0 4 32
55 A 55 GLN Q S S S+ 0 0 -64.1 -9.9 -175.5 3.7 82.4 57.3 0 0.0 0 0.0 0 0.0 0 0.0 4 22
56 A 56 HIS H S S S+ 0 0 -148.6 -158.7 177.4 17.2 80.7 120.7 0 0.0 0 0.0 0 0.0 0 0.0 4 24
57 A 57 ARG R + 0 0 12.9 -156.9 177.5 127.5 36.6 43.8 0 0.0 0 0.0 0 0.0 0 0.0 7 26
58 A 58 ALA A + 0 0 80.6 48.7 177.2 176.5 28.0 31.7 0 0.0 0 0.0 0 0.0 0 0.0 8 26
59 A 59 HIS H - 0 0 -80.1 141.5 179.8 -84.5 48.2 124.0 0 0.0 0 0.0 0 0.0 0 0.0 5 17
60 A 60 LYS K S S S+ 0 0 -46.5 112.6 179.4 113.1 79.1 103.0 0 0.0 0 0.0 0 0.0 0 0.0 4 13
61 A 61 SER S - 0 0 -176.0 168.3 -178.3 -117.6 67.8 167.6 0 0.0 0 0.0 0 0.0 0 0.0 4 12
62 A 62 ASP D S S S+ 0 0 -97.5 -3.4 178.1 93.1 82.2 66.1 0 0.0 0 0.0 0 0.0 0 0.0 4 12
63 A 63 SER S t > T - 0 0 -97.5 129.0 -178.8 -144.4 67.6 146.2 0 0.0 66 -0.5 0 0.0 0 0.0 5 17
64 A 64 SER S T T 3 TS+ 0 0 -79.9 25.5 179.7 106.5 71.9 85.4 0 0.0 0 0.0 0 0.0 0 0.0 7 30
65 A 65 ARG R T T 3 T + 0 0 -66.9 -60.9 179.5 70.7 61.6 14.5 0 0.0 0 0.0 0 0.0 0 0.0 5 33
66 A 66 GLU E S t < TS- 0 0 -61.5 137.2 -178.7 -101.1 100.9 109.7 63 -0.5 0 0.0 0 0.0 0 0.0 9 36
67 A 67 VAL V - 0 0 -68.2 127.5 -179.7 -148.7 46.4 122.8 0 0.0 0 0.0 0 0.0 0 0.0 10 48
68 A 68 PRO P - 0 0 -94.2 156.7 177.5 -117.4 12.4 125.5 0 0.0 70 -0.6 0 0.0 0 0.0 7 43
69 A 69 GLU E - 0 0 -98.4 120.2 -179.5 -179.2 24.2 150.6 0 0.0 0 0.0 0 0.0 0 0.0 8 50
70 A 70 LEU L + 0 0 -97.1 -3.3 178.0 80.9 68.1 66.4 68 -0.6 72 -1.0 0 0.0 0 0.0 5 55
71 A 71 LEU L S e S+ 0 0 -101.7 74.3 -178.2 112.5 75.5 134.2 0 0.0 52 -1.9 0 0.0 0 0.0 8 56
72 A 72 LYS K E E BC + 51 0 -152.4 141.8 179.4 162.9 34.4 174.1 70 -1.0 0 0.0 0 0.0 0 0.0 9 49
73 A 73 PHE F E E BC - 50 0 -154.2 157.0 178.2 -130.6 29.1 172.4 50 -2.4 50 -3.1 0 0.0 75 -0.5 9 56
74 A 74 THR T E E BC + 49 0 -118.0 120.5 -179.5 161.6 34.8 166.3 0 0.0 3 -2.1 0 0.0 0 0.0 11 55
75 A 75 CYS C E E BCA - 48 2 -119.8 -175.5 177.8 -90.2 37.8 124.5 48 -1.6 48 -2.3 73 -0.5 0 0.0 14 61
76 A 76 ASN N E E BC > T - 47 0 -104.6 159.5 -179.6 -97.4 40.3 134.5 1 -0.9 79 -3.1 0 0.0 0 0.0 14 48
77 A 77 ALA A T e 3 TS+ 0 0 -39.3 -42.4 -179.9 46.7 122.6 41.2 46 -2.5 145 -2.4 0 0.0 0 0.0 12 44
78 A 78 THR T T T 3 TS+ 0 0 -90.9 16.5 179.0 132.6 82.4 77.1 0 0.0 0 0.0 0 0.0 0 0.0 8 47
79 A 79 HIS H e < T - 0 0 -73.0 135.0 178.7 -133.6 55.0 121.0 76 -3.1 144 -2.3 0 0.0 81 -0.8 10 50
80 A 80 GLU E E E CD - 143 0 -92.0 104.6 178.6 -158.8 17.9 144.8 0 0.0 404 -0.6 0 0.0 0 0.0 10 49
81 A 81 LEU L E E CD - 142 0 -81.8 134.0 175.8 -132.1 16.5 129.0 142 -2.8 142 -1.8 79 -0.8 83 -0.7 11 61
82 A 82 VAL V E E CD + 141 0 -90.5 112.6 -177.0 167.8 44.4 154.8 0 0.0 0 0.0 0 0.0 0 0.0 13 52
83 A 83 VAL V E E CD - 140 0 -124.1 169.4 177.8 -148.9 29.2 138.1 140 -2.3 140 -2.1 81 -0.7 0 0.0 12 51
84 A 84 ARG R E E CDF - 139 159 -140.6 142.8 179.1 -174.0 9.0 170.9 159 -1.8 159 -2.2 0 0.0 0 0.0 11 47
85 A 85 THR T E E CD - 138 0 -136.5 140.2 179.8 -106.0 32.2 173.7 138 -1.4 138 -2.9 0 0.0 0 0.0 12 45
86 A 86 PRO P E E CD - 137 0 -70.5 146.1 174.9 -121.9 25.4 111.1 0 0.0 0 0.0 0 0.0 0 0.0 10 40
87 A 87 ARG R e + 0 0 -73.2 156.0 -175.8 177.1 45.4 119.0 136 -2.7 0 0.0 0 0.0 0 0.0 10 36
88 A 88 SER S E E DE + 107 0 -171.5 134.1 180.0 177.7 22.5 152.5 107 -0.5 107 -2.0 0 0.0 0 0.0 6 37
89 A 89 VAL V E E DE - 106 0 -139.1 153.1 -175.5 -169.2 9.9 167.2 0 0.0 0 0.0 0 0.0 0 0.0 11 36
90 A 90 ARG R E E DE + 105 0 -157.3 134.5 -178.7 14.2 60.9 161.9 105 -1.1 105 -2.3 0 0.0 0 0.0 8 26
91 A 91 ARG R S S S+ 0 0 81.2 14.5 178.2 35.0 124.0 67.9 0 0.0 0 0.0 0 0.0 0 0.0 7 24
92 A 92 LEU L S S S- 0 0 179.4 155.2 178.0 -122.8 78.4 159.3 0 0.0 0 0.0 0 0.0 0 0.0 10 24
93 A 93 SER S S S S- 0 0 -77.9 -128.7 177.6 -43.2 83.9 59.2 0 0.0 0 0.0 0 0.0 0 0.0 7 21
94 A 94 ARG R S S S- 0 0 -63.7 -53.5 178.4 -26.4 132.2 7.7 0 0.0 0 0.0 0 0.0 0 0.0 5 25
95 A 95 THR T S S S+ 0 0 -168.3 87.4 177.0 160.9 76.2 120.3 0 0.0 0 0.0 0 0.0 0 0.0 6 24
96 A 96 ILE I - 0 0 -95.0 170.3 -179.2 -142.3 24.7 118.2 0 0.0 0 0.0 0 0.0 0 0.0 6 20
97 A 97 LYS K + 0 0 -147.4 140.6 179.2 157.1 27.1 172.4 0 0.0 0 0.0 0 0.0 0 0.0 5 17
98 A 98 GLY G - 0 0 -120.7 -116.1 179.3 -69.1 47.4 72.1 0 0.0 0 0.0 0 0.0 0 0.0 4 15
99 A 99 VAL V S S S+ 0 0 -150.4 156.7 178.7 16.8 87.6 169.9 0 0.0 0 0.0 0 0.0 0 0.0 5 12
100 A 100 GLU E S S S- 0 0 42.4 108.5 -175.3 -50.8 108.6 26.3 0 0.0 0 0.0 0 0.0 0 0.0 4 10
101 A 101 TYR Y + 0 0 -17.9 124.6 -178.5 156.8 67.2 53.4 0 0.0 0 0.0 0 0.0 0 0.0 4 15
102 A 102 PHE F - 0 0 -145.4 161.9 -174.4 -100.4 32.6 160.6 0 0.0 0 0.0 0 0.0 0 0.0 6 21
103 A 103 GLU E - 0 0 -105.7 143.6 174.2 -163.4 12.0 135.3 0 0.0 105 -0.5 0 0.0 0 0.0 9 25
104 A 104 VAL V - 0 0 -113.3 116.6 179.5 -160.3 19.6 162.8 0 0.0 106 -0.5 0 0.0 0 0.0 11 30
105 A 105 ILE I E E DE + 90 0 -103.1 125.2 -178.4 172.9 18.4 151.5 90 -2.3 90 -1.1 103 -0.5 0 0.0 11 34
106 A 106 THR T E E DEF - 89 126 -134.1 155.3 176.3 -134.8 32.9 160.1 126 -2.0 126 -3.6 104 -0.5 0 0.0 11 42
107 A 107 PHE F E E DEF + 88 125 -104.0 128.3 -179.6 146.3 43.7 154.0 88 -2.0 88 -0.5 0 0.0 0 0.0 14 49
108 A 108 GLU E E E D F - 0 124 -162.0 154.8 179.2 -90.3 48.9 170.0 124 -2.1 124 -2.9 0 0.0 0 0.0 11 44
109 A 109 MET M E E D F + 0 123 -71.9 132.3 178.2 146.4 52.9 120.3 134 -1.2 0 0.0 0 0.0 0 0.0 10 43
110 A 110 GLY G E E D F - 0 122 -147.2 -171.9 179.0 -94.7 47.2 139.4 122 -3.1 122 -2.8 0 0.0 0 0.0 11 34
111 A 111 GLN Q E E D F - 0 121 -116.9 126.5 176.8 -166.5 33.1 166.4 0 0.0 0 0.0 0 0.0 0 0.0 8 32
112 A 112 LYS K E E D F - 0 120 -115.5 142.3 179.1 -116.6 25.7 157.7 120 -3.2 120 -1.3 0 0.0 114 -0.8 9 33
113 A 113 LYS K E E D F - 0 119 -77.4 104.3 179.4 -139.6 29.4 131.4 0 0.0 0 0.0 0 0.0 0 0.0 8 23
114 A 114 ALA A e > T - 0 0 -61.8 144.0 179.8 -121.0 18.5 110.9 118 -3.2 117 -1.6 112 -0.8 0 0.0 10 26
115 A 115 PRO P T T 3 TS+ 0 0 -57.0 -29.4 179.2 62.1 114.8 33.7 0 0.0 0 0.0 0 0.0 0 0.0 5 17
116 A 116 ASP D T T 3 TS- 0 0 -68.5 -24.7 179.7 -99.5 126.8 41.7 0 0.0 0 0.0 0 0.0 0 0.0 4 18
117 A 117 GLY G S t < TS+ 0 0 120.1 -5.6 179.0 128.6 82.5 71.1 114 -1.6 0 0.0 0 0.0 0 0.0 6 13
118 A 118 ARG R e - 0 0 -79.5 152.6 180.0 -136.4 55.8 117.1 0 0.0 114 -3.2 0 0.0 120 -0.6 7 21
119 A 119 ILE I E E DF - 113 0 -114.8 82.0 -177.9 -166.7 30.5 136.4 0 0.0 0 0.0 0 0.0 0 0.0 8 23
120 A 120 VAL V E E DF - 112 0 -74.5 146.4 179.3 -131.5 18.5 106.5 112 -1.3 112 -3.2 118 -0.6 122 -0.5 8 31
121 A 121 GLU E E E DF + 111 0 -97.1 124.1 -179.2 137.0 47.7 147.8 0 0.0 0 0.0 0 0.0 0 0.0 8 41
122 A 122 LEU L E E DF - 110 0 -160.3 169.9 179.1 -76.5 55.5 169.1 110 -2.8 110 -3.1 120 -0.5 0 0.0 10 50
123 A 123 VAL V E E DF - 109 0 -78.1 129.4 -178.9 -174.6 46.7 126.0 0 0.0 0 0.0 0 0.0 0 0.0 11 52
124 A 124 LYS K E E DF - 108 0 -125.1 152.3 177.7 -122.4 27.4 158.4 108 -2.9 108 -2.1 0 0.0 126 -0.5 11 51
125 A 125 GLU E E E DF - 107 0 -93.3 126.7 -176.5 -153.2 37.1 146.1 0 0.0 0 0.0 0 0.0 0 0.0 11 42
126 A 126 VAL V E E DF - 106 0 -117.6 136.1 177.8 -140.5 9.2 150.6 106 -3.6 106 -2.0 124 -0.5 0 0.0 9 38
127 A 127 SER S - 0 0 -54.6 -146.5 -179.9 -16.7 65.1 57.3 0 0.0 0 0.0 0 0.0 0 0.0 9 31
128 A 128 LYS K S S S- 0 0 -52.7 -173.8 -175.8 -44.1 105.2 70.4 0 0.0 130 -0.9 0 0.0 0 0.0 8 30
129 A 129 SER S S S S+ 0 0 -70.8 104.0 178.3 148.3 73.3 114.7 0 0.0 0 0.0 0 0.0 0 0.0 7 29
130 A 130 TYR Y - 0 0 -135.1 123.7 -179.8 -162.1 28.0 173.7 128 -0.9 0 0.0 0 0.0 0 0.0 6 26
131 A 131 PRO P + 0 0 -63.5 -90.3 179.3 132.3 37.7 8.3 0 0.0 0 0.0 0 0.0 0 0.0 5 22
132 A 132 ILE I S S S- 0 0 28.2 78.6 179.2 -38.8 89.6 38.0 0 0.0 0 0.0 0 0.0 0 0.0 5 20
133 A 133 SER S 0 0 45.4 102.8 179.8 999.9 999.9 23.0 0 0.0 0 0.0 0 0.0 0 0.0 6 20
134!A 134 GLU E 0 0 -100.5 999.9 999.9 999.9 999.9 79.6 0 0.0 109 -1.2 0 0.0 0 0.0 7 36
135!A 152 LYS K 0 0 999.9 137.5 -179.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 14
136 A 153 ALA A e + 0 0 -98.3 -1.3 178.5 36.2 999.9 66.6 0 0.0 87 -2.7 0 0.0 0 0.0 5 21
137 A 154 TYR Y E E CD S- 86 0 -140.3 177.2 176.1 -104.8 79.5 146.0 0 0.0 0 0.0 0 0.0 0 0.0 8 32
138 A 155 PHE F E E CD - 85 0 -105.7 137.9 178.1 -155.9 24.8 153.1 85 -2.9 85 -1.4 0 0.0 140 -0.5 9 36
139 A 156 GLU E E E CD + 84 0 -113.3 111.1 -176.3 126.7 42.2 171.1 0 0.0 0 0.0 0 0.0 0 0.0 8 39
140 A 157 TRP W E E CD - 83 0 -154.3 -171.4 -178.9 -109.5 47.8 147.0 83 -2.1 83 -2.3 138 -0.5 0 0.0 7 47
141 A 158 THR T E E CD - 82 0 -138.1 149.7 179.9 -176.6 18.2 166.6 0 0.0 0 0.0 0 0.0 0 0.0 8 44
142 A 159 ILE I E E CD - 81 0 -146.9 136.5 175.8 -121.2 26.7 171.3 81 -1.8 81 -2.8 0 0.0 0 0.0 12 53
143 A 160 GLU E E E CD > T - 80 0 -72.5 141.0 -179.5 -116.5 32.2 120.0 0 0.0 146 -2.8 0 0.0 0 0.0 11 50
144 A 161 ALA A G e > TS+ 0 0 -44.8 -48.6 -179.6 54.0 114.6 30.5 79 -2.3 147 -1.4 0 0.0 0 0.0 14 54
145 A 162 ARG R G G 3 TS+ 0 0 -64.2 -12.9 -176.9 62.5 104.3 50.8 77 -2.4 0 0.0 0 0.0 0 0.0 7 45
146 A 163 ASP D G G X TS+ 0 0 -94.1 -7.9 -179.0 87.5 70.2 58.3 143 -2.8 149 -1.8 0 0.0 0 0.0 9 47
147 A 164 LEU L G G X TS+ 0 0 -58.1 -34.4 179.8 69.0 81.6 29.6 144 -1.4 150 -1.9 0 0.0 0 0.0 9 55
148 A 165 SER S G G 3 TS+ 0 0 -60.0 -18.4 178.7 62.8 87.2 52.3 0 0.0 0 0.0 0 0.0 0 0.0 5 42
149 A 166 LEU L G G < TS+ 0 0 -81.1 -18.5 -179.8 106.8 83.4 48.0 146 -1.8 0 0.0 0 0.0 0 0.0 7 36
150 A 167 LEU L S g < TS- 0 0 -62.6 140.6 177.9 -117.0 76.3 107.8 147 -1.9 0 0.0 0 0.0 0 0.0 11 44
151 A 168 GLY G h > T - 0 0 -74.7 153.0 -177.0 -100.5 35.8 121.6 0 0.0 155 -2.9 0 0.0 0 0.0 8 33
152 A 169 SER S H H > TS+ 0 0 -40.3 -52.4 -178.8 39.4 117.9 35.0 0 0.0 156 -2.0 0 0.0 0 0.0 6 26
153 A 170 HIS H H H > TS+ 0 0 -68.4 -56.4 177.9 47.6 114.8 16.4 0 0.0 157 -2.0 0 0.0 0 0.0 7 32
154 A 171 VAL V H H > TS+ 0 0 -51.1 -39.6 -178.4 52.5 115.0 22.9 0 0.0 158 -0.8 0 0.0 0 0.0 13 47
155 A 172 ARG R H H < TS+ 0 0 -67.1 -42.3 -178.6 44.9 108.5 31.0 151 -2.9 0 0.0 0 0.0 0 0.0 9 47
156 A 173 LYS K H H < TS+ 0 0 -72.3 -26.4 -177.8 54.7 113.0 34.7 152 -2.0 0 0.0 0 0.0 0 0.0 7 33
157 A 174 ALA A H H < TS+ 0 0 -79.7 -18.6 -178.6 95.6 89.6 53.1 153 -2.0 0 0.0 0 0.0 0 0.0 9 39
158 A 175 THR T h < T + 0 0 -81.9 144.7 -178.4 171.0 51.1 119.7 154 -0.8 0 0.0 0 0.0 0 0.0 11 51
159 A 176 TYR Y B B F - 84 0 -149.4 164.8 176.1 -130.8 28.3 163.3 84 -2.2 84 -1.8 0 0.0 0 0.0 11 49
160 A 177 GLN Q E E EG - 370 0 -103.7 177.7 179.9 -133.7 29.2 122.4 370 -2.4 370 -1.9 0 0.0 0 0.0 14 58
161 A 178 THR T E E EG - 369 0 -132.9 163.9 173.7 -148.7 7.0 149.0 0 0.0 402 -1.7 0 0.0 0 0.0 12 58
162 A 179 TYR Y E E EGG - 368 401 -130.7 144.4 -179.0 -140.7 18.5 168.8 368 -2.8 368 -2.2 0 0.0 0 0.0 12 59
163 A 180 ALA A - 0 0 -105.2 154.5 179.9 -109.9 19.6 141.6 400 -1.9 0 0.0 0 0.0 0 0.0 14 57
164 A 181 PRO P - 0 0 -75.9 154.5 176.4 -108.4 32.7 110.3 0 0.0 166 -1.3 0 0.0 0 0.0 13 59
165 A 182 ILE I + 0 0 -89.0 89.0 -177.7 168.8 44.5 133.7 307 -2.7 0 0.0 0 0.0 0 0.0 12 61
166 A 183 LEU L + 0 0 -77.4 -5.3 177.7 98.5 46.8 60.1 164 -1.3 0 0.0 0 0.0 0 0.0 10 55
167 A 184 TYR Y - 0 0 -82.7 150.4 -179.5 -152.5 61.1 122.1 0 0.0 0 0.0 0 0.0 0 0.0 11 48
168 A 185 GLU E - 0 0 -136.6 125.7 177.3 -179.7 15.6 167.0 0 0.0 0 0.0 0 0.0 0 0.0 10 38
169 A 186 ASN N - 0 0 -94.4 -158.6 178.2 -135.6 25.2 94.6 260 -2.2 0 0.0 0 0.0 0 0.0 9 35
170 A 187 ASP D t > T + 0 0 -150.2 15.6 178.6 128.1 57.5 75.7 0 0.0 174 -2.5 0 0.0 0 0.0 8 33
171 A 188 HIS H T T 4 TS+ 0 0 -47.2 -25.9 -179.7 56.1 78.9 42.1 0 0.0 0 0.0 0 0.0 0 0.0 8 35
172 A 189 PHE F T T 4 > TS+ 0 0 -74.2 -57.9 -178.3 35.7 111.9 5.5 0 0.0 175 -1.4 0 0.0 0 0.0 8 49
173 A 190 PHE F T T 4 3 TS+ 0 0 -67.6 -27.5 177.4 62.5 109.1 45.4 0 0.0 0 0.0 0 0.0 0 0.0 8 35
174 A 191 ASP D T T < 3 TS+ 0 0 -71.6 -11.6 178.5 74.8 92.5 50.6 170 -2.5 176 -1.1 0 0.0 0 0.0 6 24
175 A 192 TYR Y t < T + 0 0 -98.6 77.4 -178.3 166.1 62.2 136.0 172 -1.4 0 0.0 0 0.0 0 0.0 6 32
176 A 193 MET M 0 0 -61.5 -48.2 -179.5 999.9 999.9 18.7 174 -1.1 0 0.0 0 0.0 0 0.0 5 29
177!A 194 GLN Q 0 0 62.2 999.9 999.9 999.9 999.9 120.2 0 0.0 0 0.0 0 0.0 0 0.0 5 33
178!A 200 LEU L 0 0 999.9 -167.6 179.7 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 20
179 A 201 THR T + 0 0 -24.8 -71.5 177.4 54.9 999.9 38.0 0 0.0 0 0.0 0 0.0 0 0.0 6 26
180 A 202 ILE I S S S+ 0 0 -73.3 126.4 -178.6 24.7 118.9 133.1 0 0.0 0 0.0 0 0.0 0 0.0 5 19
181 A 203 GLU E S S S+ 0 0 80.3 76.1 179.7 37.7 123.7 14.3 0 0.0 0 0.0 0 0.0 0 0.0 6 22
182 A 204 GLY G S h > > TS+ 0 0 167.7 -93.3 -179.3 68.7 79.4 115.6 0 0.0 185 -1.4 0 0.0 186 -0.7 10 33
183 A 205 PRO P H H > 3 TS+ 0 0 -38.0 -34.1 179.1 71.9 95.3 43.3 0 0.0 187 -2.4 0 0.0 0 0.0 11 47
184 A 206 LYS K H H > 3 TS+ 0 0 -49.8 -56.3 -177.9 44.5 98.4 19.0 0 0.0 188 -2.2 0 0.0 0 0.0 9 51
185 A 207 VAL V H H > < TS+ 0 0 -64.1 -33.8 178.8 44.8 115.4 40.3 182 -1.4 189 -1.9 0 0.0 0 0.0 11 53
186 A 208 LEU L H H X TS+ 0 0 -77.5 -47.6 178.0 47.5 114.6 19.9 182 -0.7 190 -1.8 0 0.0 0 0.0 10 66
187 A 209 ALA A H H X TS+ 0 0 -57.5 -38.8 177.2 48.2 115.8 28.6 183 -2.4 191 -1.7 0 0.0 0 0.0 13 71
188 A 210 TYR Y H H X TS+ 0 0 -65.6 -48.2 179.9 47.3 111.7 22.5 184 -2.2 192 -1.7 0 0.0 0 0.0 14 66
189 A 211 LEU L H H X TS+ 0 0 -68.6 -17.3 177.4 55.8 109.7 47.3 185 -1.9 193 -0.8 0 0.0 0 0.0 12 71
190 A 212 LEU L H H X TS+ 0 0 -80.2 -42.4 178.7 43.9 109.2 26.5 186 -1.8 194 -2.1 0 0.0 0 0.0 12 69
191 A 213 GLY G H H X TS+ 0 0 -69.9 -30.8 179.5 56.3 111.7 32.2 187 -1.7 195 -1.1 0 0.0 0 0.0 15 73
192 A 214 LEU L H H X TS+ 0 0 -69.4 -29.5 179.7 48.0 108.1 34.9 188 -1.7 196 -2.5 0 0.0 0 0.0 16 70
193 A 215 TRP W H H X TS+ 0 0 -78.7 -42.8 177.9 52.8 106.4 29.3 189 -0.8 197 -1.7 0 0.0 0 0.0 14 65
194 A 216 ILE I H H < TS+ 0 0 -62.9 -23.8 178.1 44.8 117.0 36.5 190 -2.1 0 0.0 0 0.0 0 0.0 12 62
195 A 217 GLY G H H < TS- 0 0 -83.9 -54.5 -178.5 -3.1 139.5 16.7 191 -1.1 0 0.0 0 0.0 0 0.0 12 62
196 A 218 ASP D H H < TS+ 0 0 -120.4 -4.5 -179.4 121.4 96.7 60.0 192 -2.5 0 0.0 0 0.0 0 0.0 12 52
197 A 219 GLY G h < T - 0 0 -61.0 162.2 178.1 -111.7 64.5 89.4 193 -1.7 199 -0.5 0 0.0 0 0.0 12 51
198 A 220 LEU L B B H > T - 201 0 -95.3 128.6 -179.0 -133.3 24.5 148.9 203 -1.2 201 -1.2 201 -0.7 0 0.0 9 36
199 A 221 SER S T T 3 TS+ 0 0 -52.7 -31.6 -178.3 52.2 101.3 39.7 197 -0.5 0 0.0 0 0.0 0 0.0 7 40
200 A 222 ASP D T T 3 TS- 0 0 -87.3 -10.5 179.6 -10.0 120.8 48.5 0 0.0 0 0.0 0 0.0 0 0.0 5 33
201 A 223 ARG R B B H < TS- 198 0 -169.4 178.2 179.7 -60.7 89.5 165.1 198 -1.2 203 -2.3 0 0.0 198 -0.7 8 37
202 A 224 ALA A S S S+ 0 0 -74.3 71.7 178.0 126.5 79.4 118.1 0 0.0 0 0.0 0 0.0 0 0.0 13 47
203 A 225 THR T + 0 0 -137.2 110.4 179.5 175.3 30.4 157.4 201 -2.3 198 -1.2 0 0.0 0 0.0 11 39
204 A 226 PHE F - 0 0 -97.0 -173.5 -178.7 -124.9 30.2 110.4 0 0.0 0 0.0 0 0.0 0 0.0 11 46
205 A 227 SER S - 0 0 -138.8 64.6 -178.7 -169.1 24.5 113.6 0 0.0 0 0.0 0 0.0 0 0.0 8 42
206 A 228 VAL V - 0 0 -60.9 125.6 -179.5 -115.5 29.1 106.6 0 0.0 0 0.0 0 0.0 0 0.0 11 46
207 A 229 ASP D t > T - 0 0 -66.2 124.3 -179.1 -139.8 16.2 120.5 0 0.0 210 -0.9 0 0.0 0 0.0 7 36
208 A 230 SER S T T 3 TS+ 0 0 -50.2 -59.6 -178.9 54.8 98.9 23.5 0 0.0 0 0.0 0 0.0 0 0.0 6 23
209 A 231 ARG R T T 3 TS+ 0 0 -49.9 -26.6 179.5 82.6 91.6 40.7 0 0.0 211 -1.9 0 0.0 0 0.0 4 19
210 A 232 ASP D h > < T + 0 0 -83.5 75.2 178.9 162.9 52.7 124.6 207 -0.9 214 -2.1 0 0.0 0 0.0 10 30
211 A 233 THR T H H > TS+ 0 0 -59.4 -41.1 -179.5 60.2 72.2 29.9 209 -1.9 215 -2.1 0 0.0 0 0.0 7 24
212 A 234 SER S H H > TS+ 0 0 -59.0 -34.0 -179.1 41.8 109.0 33.2 0 0.0 216 -1.0 0 0.0 0 0.0 9 31
213 A 235 LEU L H H > TS+ 0 0 -82.8 -40.1 178.4 55.7 109.4 29.4 0 0.0 217 -2.9 0 0.0 0 0.0 13 47
214 A 236 MET M H H X TS+ 0 0 -56.5 -36.1 178.2 53.1 107.9 28.9 210 -2.1 218 -2.0 0 0.0 0 0.0 11 36
215 A 237 GLU E H H X TS+ 0 0 -63.9 -41.7 -180.0 46.9 109.9 30.6 211 -2.1 219 -1.8 0 0.0 0 0.0 8 35
216 A 238 ARG R H H X TS+ 0 0 -65.8 -56.1 -178.9 49.9 111.0 14.9 212 -1.0 220 -3.8 0 0.0 0 0.0 9 52
217 A 239 VAL V H H X TS+ 0 0 -50.4 -47.6 -179.3 41.5 116.5 29.0 213 -2.9 221 -2.1 0 0.0 0 0.0 10 56
218 A 240 THR T H H X TS+ 0 0 -71.6 -36.0 179.4 48.9 117.0 31.3 214 -2.0 222 -1.6 0 0.0 0 0.0 10 36
219 A 241 GLU E H H X TS+ 0 0 -65.9 -56.7 -179.9 43.5 115.0 12.4 215 -1.8 223 -1.5 0 0.0 0 0.0 8 34
220 A 242 TYR Y H H X TS+ 0 0 -56.4 -45.6 179.5 56.3 108.9 30.5 216 -3.8 224 -1.4 0 0.0 0 0.0 10 46
221 A 243 ALA A H H < > TS+ 0 0 -52.9 -50.0 179.6 53.4 105.8 20.0 217 -2.1 224 -0.9 0 0.0 0 0.0 12 41
222 A 244 GLU E H H < > TS+ 0 0 -53.6 -43.6 179.5 53.6 105.0 28.8 218 -1.6 225 -1.8 0 0.0 0 0.0 9 28
223 A 245 LYS K H H < 3 TS+ 0 0 -64.8 -28.6 179.3 43.8 112.4 36.9 219 -1.5 0 0.0 0 0.0 0 0.0 9 28
224 A 246 LEU L T h < < TS- 0 0 -101.8 20.7 179.0 -115.6 120.2 85.7 220 -1.4 226 -1.6 221 -0.9 0 0.0 9 37
225 A 247 ASN N S t < TS+ 0 0 77.1 -48.4 -179.3 98.4 83.6 108.2 222 -1.8 0 0.0 0 0.0 0 0.0 6 30
226 A 248 LEU L - 0 0 -56.9 -174.3 176.1 -176.0 49.9 72.3 224 -1.6 0 0.0 0 0.0 0 0.0 8 34
227 A 249 CYS C - 0 0 168.3 135.9 178.0 -0.4 48.8 123.6 0 0.0 0 0.0 0 0.0 0 0.0 8 29
228 A 250 ALA A S S S+ 0 0 71.4 -13.2 -178.6 116.0 81.0 82.1 0 0.0 0 0.0 0 0.0 0 0.0 7 30
229 A 251 GLU E S S S+ 0 0 -64.5 1.3 -176.7 42.1 77.8 63.0 0 0.0 0 0.0 0 0.0 0 0.0 7 34
230 A 252 TYR Y 0 0 -157.7 89.4 179.7 999.9 999.9 127.1 0 0.0 0 0.0 0 0.0 0 0.0 8 44
231!A 253 LYS K 0 0 -157.5 999.9 999.9 999.9 999.9 159.1 0 0.0 0 0.0 0 0.0 0 0.0 7 37
232!A 281 ASN N 0 0 999.9 17.9 179.8 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 7 21
233 A 282 THR T - 0 0 74.4 158.9 176.9 -68.6 999.9 75.1 0 0.0 235 -2.8 0 0.0 0 0.0 4 19
234 A 283 GLU E S S S+ 0 0 -78.4 72.4 -177.2 154.4 79.9 125.7 0 0.0 0 0.0 0 0.0 0 0.0 6 19
235 A 284 ASN N t > > T - 0 0 -111.7 98.9 -180.0 -148.1 43.2 159.0 233 -2.8 239 -2.2 0 0.0 238 -1.2 7 30
236 A 285 PRO P T T 4 3 TS+ 0 0 -48.8 -4.4 177.6 54.6 97.5 65.3 0 0.0 0 0.0 0 0.0 0 0.0 7 40
237 A 286 LEU L T h > 3 TS+ 0 0 -95.9 -44.2 178.9 41.8 111.9 38.9 0 0.0 241 -1.6 0 0.0 0 0.0 9 53
238 A 287 TRP W H H > < TS+ 0 0 -70.1 -30.0 177.8 57.2 112.2 37.9 235 -1.2 242 -1.4 0 0.0 0 0.0 12 46
239 A 288 ASP D H H X TS+ 0 0 -69.5 -28.0 179.0 47.0 107.9 41.8 235 -2.2 243 -2.7 0 0.0 0 0.0 10 31
240 A 289 ALA A H H > TS+ 0 0 -83.5 -30.8 -180.0 58.3 105.0 37.2 0 0.0 244 -2.2 0 0.0 246 -0.5 11 50
241 A 290 ILE I H H < >TS+ 0 0 -61.2 -43.3 178.0 31.0 120.8 22.3 237 -1.6 246 -1.4 0 0.0 0 0.0 11 54
242 A 291 VAL V H H < >5TS+ 0 0 -75.5 -59.1 -179.8 45.1 123.9 22.5 238 -1.4 245 -1.0 0 0.0 0 0.0 9 39
243 A 292 GLY G H H < 35TS+ 0 0 -56.1 -50.7 -180.0 44.3 116.4 23.2 239 -2.7 0 0.0 0 0.0 0 0.0 7 38
244 A 293 LEU L T h < 35TS- 0 0 -78.6 -0.2 175.0 -107.2 119.9 67.5 240 -2.2 0 0.0 0 0.0 0 0.0 7 46
245 A 294 GLY G T T <5T + 0 0 91.4 11.8 -178.7 144.1 68.5 58.8 242 -1.0 0 0.0 0 0.0 0 0.0 11 39
246 A 295 PHE F t T - 0 0 -53.0 141.3 -179.9 -126.4 6.4 98.2 0 0.0 258 -1.4 0 0.0 0 0.0 9 52
256 A 305 SER S G G > TS+ 0 0 -60.2 -37.1 -177.3 70.7 102.2 33.4 0 0.0 259 -2.4 0 0.0 0 0.0 6 53
257 A 306 PHE F G G > > TS+ 0 0 -56.2 -22.2 179.9 76.2 82.7 40.7 0 0.0 260 -1.5 0 0.0 261 -0.7 7 55
258 A 307 LEU L G G 4 < TS+ 0 0 -60.9 -25.0 -179.5 62.6 85.6 39.9 255 -1.4 0 0.0 0 0.0 0 0.0 10 66
259 A 308 SER S G G 4 < TS+ 0 0 -78.4 -10.5 -178.1 28.8 113.4 54.8 256 -2.4 0 0.0 0 0.0 0 0.0 10 58
260 A 309 THR T T g 4 < TS+ 0 0 -131.2 7.3 -179.8 93.9 102.4 74.7 257 -1.5 169 -2.2 0 0.0 0 0.0 13 56
261 A 310 ASP D S t < TS- 0 0 -85.0 -163.4 179.2 -33.6 91.8 89.1 257 -0.7 0 0.0 0 0.0 0 0.0 14 48
262 A 311 ASN N h > T - 0 0 -59.3 125.3 -179.6 -138.8 51.8 111.4 0 0.0 266 -1.6 0 0.0 0 0.0 11 43
263 A 312 ILE I H H > TS+ 0 0 -51.1 -53.8 178.4 52.8 102.8 23.9 0 0.0 267 -2.6 0 0.0 0 0.0 10 50
264 A 313 GLY G H H > TS+ 0 0 -52.5 -41.6 179.5 50.9 108.2 26.5 0 0.0 268 -2.3 0 0.0 0 0.0 6 51
265 A 314 THR T H H > TS+ 0 0 -68.1 -29.5 178.6 51.5 109.1 32.3 0 0.0 269 -1.7 0 0.0 0 0.0 11 58
266 A 315 ARG R H H X TS+ 0 0 -69.3 -46.3 179.8 45.6 112.7 18.8 262 -1.6 270 -1.7 0 0.0 0 0.0 14 62
267 A 316 GLU E H H X TS+ 0 0 -66.1 -35.8 179.2 50.8 112.2 33.5 263 -2.6 271 -1.3 0 0.0 0 0.0 11 68
268 A 317 THR T H H X TS+ 0 0 -71.7 -35.4 177.9 51.6 108.1 33.0 264 -2.3 272 -1.7 0 0.0 0 0.0 14 61
269 A 318 PHE F H H X TS+ 0 0 -63.3 -47.0 179.0 50.2 109.7 26.5 265 -1.7 273 -1.6 0 0.0 0 0.0 14 72
270 A 319 LEU L H H X TS+ 0 0 -58.0 -38.3 176.6 56.1 106.6 38.2 266 -1.7 274 -1.3 0 0.0 0 0.0 12 80
271 A 320 ALA A H H X TS+ 0 0 -60.5 -48.3 179.4 48.0 107.2 26.3 267 -1.3 275 -2.6 0 0.0 0 0.0 14 68
272 A 321 GLY G H H X TS+ 0 0 -62.4 -39.5 178.2 49.5 112.5 27.3 268 -1.7 276 -2.3 0 0.0 0 0.0 16 71
273 A 322 LEU L H H X TS+ 0 0 -67.8 -33.7 178.7 46.2 113.3 41.2 269 -1.6 277 -1.7 0 0.0 0 0.0 16 70
274 A 323 ILE I H H X TS+ 0 0 -77.0 -37.3 179.0 53.9 110.3 35.9 270 -1.3 278 -1.7 0 0.0 0 0.0 16 69
275 A 324 ASP D H H < TS+ 0 0 -63.4 -42.8 179.6 44.3 113.6 20.1 271 -2.6 0 0.0 0 0.0 0 0.0 14 60
276 A 325 SER S H H < TS- 0 0 -68.6 -67.3 179.9 -11.5 139.9 6.3 272 -2.3 0 0.0 0 0.0 0 0.0 12 58
277 A 326 ASP D H H < TS+ 0 0 -131.2 37.6 178.0 95.8 107.0 90.8 273 -1.7 291 -1.2 0 0.0 0 0.0 10 54
278 A 327 GLY G h < T - 0 0 -111.4 -177.9 178.3 -158.6 49.0 121.0 274 -1.7 0 0.0 0 0.0 0 0.0 11 59
279 A 328 TYR Y e - 0 0 -163.1 136.6 -178.2 -137.4 9.3 157.3 0 0.0 289 -1.6 0 0.0 0 0.0 11 46
280 A 329 VAL V E E FH - 288 0 -107.0 147.5 179.2 -176.6 16.4 140.0 0 0.0 0 0.0 0 0.0 0 0.0 10 44
281 A 330 THR T E E FH - 287 0 -131.3 164.0 -179.3 -170.3 17.8 152.0 287 -2.5 287 -1.8 0 0.0 0 0.0 8 32
282 A 331 ASP D t > T + 0 0 -133.4 -4.6 -179.2 113.6 52.1 64.5 0 0.0 285 -1.3 0 0.0 0 0.0 7 25
283 A 332 GLU E T T 3 TS+ 0 0 -35.7 -78.5 178.5 4.6 98.3 33.8 0 0.0 285 -0.7 0 0.0 0 0.0 5 16
284 A 333 HIS H T T 3 TS- 0 0 -112.2 70.1 179.4 -32.8 140.7 132.6 0 0.0 0 0.0 0 0.0 0 0.0 4 15
285 A 334 GLY G S t < TS- 0 0 94.7 141.3 -179.6 -62.2 89.8 69.6 282 -1.3 0 0.0 283 -0.7 0 0.0 8 24
286 A 335 ILE I + 0 0 -55.5 138.4 -179.5 169.5 63.4 98.8 0 0.0 0 0.0 0 0.0 0 0.0 12 36
287 A 336 LYS K E E FH - 281 0 -156.9 142.2 178.1 -154.0 24.1 166.6 281 -1.8 281 -2.5 0 0.0 0 0.0 12 46
288 A 337 ALA A E E FHI - 280 336 -117.2 146.8 -178.8 -160.1 8.5 155.8 336 -2.0 336 -2.3 0 0.0 0 0.0 12 59
289 A 338 THR T E E F I - 0 335 -132.9 105.6 177.3 -171.5 4.7 152.9 279 -1.6 0 0.0 0 0.0 0 0.0 12 54
290 A 339 ILE I E E F I - 0 334 -95.1 143.3 -178.7 -154.3 11.0 137.2 334 -1.6 334 -2.5 0 0.0 0 0.0 12 62
291 A 340 LYS K E E F I + 0 333 -117.5 144.0 179.4 164.7 18.6 156.1 277 -1.2 0 0.0 0 0.0 0 0.0 10 54
292 A 341 THR T E E F I - 0 332 -159.4 147.2 179.0 -155.0 37.7 168.0 332 -1.8 332 -3.2 0 0.0 0 0.0 11 57
293 A 342 ILE I S S S+ 0 0 -98.4 -5.0 -179.6 96.3 75.7 64.1 0 0.0 0 0.0 0 0.0 0 0.0 9 49
294 A 343 HIS H h > T - 0 0 -92.2 129.8 179.4 -160.4 58.7 142.4 0 0.0 298 -1.8 0 0.0 0 0.0 10 53
295 A 344 THR T H H > TS+ 0 0 -75.5 -31.0 179.9 53.6 93.4 37.0 0 0.0 299 -1.7 0 0.0 0 0.0 9 45
296 A 345 SER S H H > TS+ 0 0 -73.2 -36.9 178.6 43.8 111.6 33.1 0 0.0 300 -1.2 0 0.0 254 -0.5 11 44
297 A 346 VAL V H H > TS+ 0 0 -71.1 -44.9 178.6 58.5 110.1 21.0 0 0.0 301 -2.2 0 0.0 0 0.0 12 62
298 A 347 ARG R H H X TS+ 0 0 -49.9 -47.5 -179.6 37.6 112.5 32.8 294 -1.8 302 -1.0 0 0.0 0 0.0 12 54
299 A 348 ASP D H H X TS+ 0 0 -80.8 -28.3 -178.5 52.7 115.5 37.7 295 -1.7 303 -1.5 0 0.0 0 0.0 8 54
300 A 349 GLY G H H X TS+ 0 0 -78.1 -25.3 178.9 51.2 108.7 39.3 296 -1.2 304 -1.0 0 0.0 0 0.0 12 61
301 A 350 LEU L H H X TS+ 0 0 -77.1 -38.5 -179.3 56.8 104.8 34.4 297 -2.2 305 -2.8 0 0.0 0 0.0 9 70
302 A 351 VAL V H H X TS+ 0 0 -63.3 -43.4 179.5 39.6 112.9 19.8 298 -1.0 306 -1.9 0 0.0 0 0.0 11 65
303 A 352 SER S H H X TS+ 0 0 -76.7 -25.7 178.7 55.7 114.2 37.9 299 -1.5 307 -1.3 0 0.0 0 0.0 10 60
304 A 353 LEU L H H X TS+ 0 0 -69.4 -47.5 178.9 42.2 111.5 19.3 300 -1.0 308 -0.8 0 0.0 0 0.0 11 67
305 A 354 ALA A H H < >TS+ 0 0 -66.7 -40.6 178.1 50.7 115.0 30.1 301 -2.8 310 -1.7 0 0.0 0 0.0 13 72
306 A 355 ARG R H H < >5TS+ 0 0 -69.5 -25.2 179.5 63.7 100.1 36.8 302 -1.9 309 -1.0 0 0.0 0 0.0 11 64
307 A 356 SER S H H < 35TS+ 0 0 -66.3 -28.6 178.7 50.2 103.3 34.1 303 -1.3 165 -2.7 0 0.0 0 0.0 14 70
308 A 357 LEU L T h < 35TS- 0 0 -81.3 -12.2 -178.4 -105.5 125.2 56.2 304 -0.8 0 0.0 0 0.0 0 0.0 13 59
309 A 358 GLY G T T <5TS+ 0 0 91.5 26.6 178.5 142.6 70.9 38.5 306 -1.0 0 0.0 0 0.0 0 0.0 15 56
310 A 359 LEU L t T - 0 0 -165.2 100.3 179.4 -155.9 6.8 137.0 0 0.0 323 -0.7 0 0.0 324 -0.5 9 15
322 A 371 ASP D G G > > TS- 0 0 -87.1 115.3 -178.4 -20.3 88.8 143.0 0 0.0 325 -1.4 0 0.0 326 -0.6 7 11
323 A 372 MET M G G 4 3 TS- 0 0 54.9 29.0 -178.7 -48.4 136.2 35.1 321 -0.7 0 0.0 0 0.0 0 0.0 5 9
324 A 373 ASN N G G 4 < TS+ 0 0 86.3 16.2 -178.9 57.4 139.6 59.8 321 -0.5 0 0.0 0 0.0 0 0.0 5 11
325 A 374 GLY G T g 4 < T + 0 0 -130.5 -97.5 179.9 104.3 56.5 65.6 322 -1.4 0 0.0 0 0.0 0 0.0 8 12
326 A 375 THR T S t < TS- 0 0 -0.5 121.5 -178.6 -0.2 86.9 55.3 322 -0.6 0 0.0 0 0.0 0 0.0 8 14
327 A 376 LYS K S S S- 0 0 59.4 142.1 -178.7 -157.6 84.2 56.8 0 0.0 0 0.0 0 0.0 0 0.0 8 17
328 A 377 HIS H + 0 0 -142.8 -170.8 179.1 16.5 32.3 129.4 0 0.0 330 -0.7 0 0.0 0 0.0 9 20
329 A 378 LYS K S e S+ 0 0 50.4 -82.1 -174.4 6.7 92.4 101.3 0 0.0 319 -0.5 0 0.0 0 0.0 7 23
330 A 379 ILE I E E F J + 0 318 -147.0 153.1 177.5 166.9 37.9 164.6 328 -0.7 0 0.0 0 0.0 0 0.0 9 30
331 A 380 SER S E E F J - 0 317 -141.7 173.2 -177.1 -114.4 33.8 150.0 317 -1.2 317 -2.4 0 0.0 0 0.0 12 37
332 A 381 TYR Y E E FIJ - 292 316 -129.8 144.1 178.1 -151.2 8.2 162.5 292 -3.2 292 -1.8 0 0.0 334 -0.6 13 44
333 A 382 ALA A E E FIJ - 291 315 -109.8 114.5 179.5 -166.7 12.4 153.6 315 -2.5 315 -1.6 0 0.0 335 -0.6 12 48
334 A 383 ILE I E E FIJ - 290 314 -107.4 116.2 -177.8 -156.7 7.8 152.0 290 -2.5 290 -1.6 332 -0.6 0 0.0 13 54
335 A 384 TYR Y E E FIJ - 289 313 -96.0 130.2 -179.1 -172.2 9.8 145.0 313 -2.7 313 -1.5 333 -0.6 0 0.0 12 51
336 A 385 MET M E E FIJ + 288 312 -126.0 134.9 178.7 160.0 10.8 166.9 288 -2.3 288 -2.0 0 0.0 0 0.0 13 54
337 A 386 SER S E E F J + 0 311 -144.8 166.1 179.6 130.0 16.5 153.5 311 -2.2 311 -3.4 0 0.0 0 0.0 12 53
338 A 387 GLY G t > T - 0 0 160.5 10.0 178.8 -125.9 51.2 62.0 0 0.0 341 -1.5 0 0.0 0 0.0 11 50
339 A 388 GLY G T h > 3 TS+ 0 0 69.2 -122.1 179.6 9.5 93.4 116.9 0 0.0 343 -2.7 0 0.0 0 0.0 8 43
340 A 389 ASP D H H > 3 TS+ 0 0 -68.7 -17.8 177.1 61.9 127.2 46.5 0 0.0 344 -1.3 0 0.0 0 0.0 9 39
341 A 390 VAL V H H 4 < TS+ 0 0 -70.3 -43.3 177.9 36.5 113.2 24.1 338 -1.5 0 0.0 0 0.0 0 0.0 13 51
342 A 391 LEU L H H > > TS+ 0 0 -74.2 -38.2 179.3 59.2 111.6 29.0 0 0.0 346 -2.6 0 0.0 345 -1.5 13 62
343 A 392 LEU L H H X 3 TS+ 0 0 -60.1 -29.9 178.2 59.0 101.3 34.9 339 -2.7 347 -1.3 0 0.0 0 0.0 12 49
344 A 393 ASN N H H < 3 TS+ 0 0 -73.7 -20.0 176.9 39.7 110.2 49.4 340 -1.3 0 0.0 0 0.0 0 0.0 11 46
345 A 394 VAL V H H 4 X TS+ 0 0 -93.5 -47.0 -179.0 52.6 113.1 33.9 342 -1.5 348 -1.6 0 0.0 0 0.0 12 61
346 A 395 LEU L H H < > TS+ 0 0 -63.0 -19.6 179.7 72.1 94.7 41.5 342 -2.6 349 -1.5 0 0.0 356 -0.7 13 59
347 A 396 SER S T h < 3 TS+ 0 0 -80.1 11.5 178.2 53.6 95.7 68.1 343 -1.3 0 0.0 0 0.0 0 0.0 10 45
348 A 397 LYS K T T < TS+ 0 0 -119.0 -6.0 -179.6 105.5 86.8 70.2 345 -1.6 0 0.0 0 0.0 0 0.0 10 52
349 A 398 CYS C t < T - 0 0 -78.4 159.9 179.7 -156.7 54.6 117.5 346 -1.5 0 0.0 0 0.0 0 0.0 13 58
350 A 399 ALA A + 0 0 -103.7 -32.5 -179.4 104.8 59.9 43.8 0 0.0 0 0.0 0 0.0 0 0.0 10 52
351 A 400 GLY G S t > > TS- 0 0 -54.8 135.7 -179.0 -134.8 70.5 105.8 0 0.0 355 -2.4 0 0.0 354 -0.9 10 50
352 A 401 SER S T T 4 3 TS+ 0 0 -66.9 -31.4 176.6 41.4 105.3 40.6 0 0.0 0 0.0 0 0.0 0 0.0 8 34
353 A 402 LYS K T T 4 3 TS+ 0 0 -97.1 12.7 -178.7 51.1 119.0 74.4 0 0.0 0 0.0 0 0.0 0 0.0 6 35
354 A 403 LYS K T T 4 < TS+ 0 0 -114.5 -39.2 179.4 90.3 85.0 42.8 351 -0.9 0 0.0 0 0.0 0 0.0 12 45
355 A 404 PHE F t < T - 0 0 -62.7 142.3 175.8 -178.2 50.2 104.7 351 -2.4 0 0.0 0 0.0 0 0.0 11 45
356 A 405 ARG R - 0 0 -137.8 146.8 179.5 -98.1 35.1 165.1 346 -0.7 0 0.0 0 0.0 0 0.0 8 40
357 A 406 PRO P - 0 0 -64.6 154.3 179.5 -98.1 47.3 111.5 0 0.0 0 0.0 0 0.0 0 0.0 7 29
358 A 407 ALA A - 0 0 -67.9 160.2 179.8 -68.8 55.4 96.4 0 0.0 0 0.0 0 0.0 0 0.0 9 28
359 A 408 PRO P - 0 0 -48.6 153.5 179.3 -126.6 39.0 94.7 0 0.0 0 0.0 0 0.0 0 0.0 9 23
360 A 409 ALA A S S S+ 0 0 -69.1 -46.9 178.8 1.8 88.1 22.5 0 0.0 0 0.0 0 0.0 0 0.0 4 17
361 A 410 ALA A S S S- 0 0 -125.7 -172.5 177.0 -62.0 102.2 124.2 0 0.0 0 0.0 0 0.0 0 0.0 4 15
362 A 411 ALA A - 0 0 -70.7 157.9 179.6 -155.4 57.2 115.0 0 0.0 0 0.0 0 0.0 0 0.0 5 16
363 A 412 PHE F - 0 0 -135.8 164.2 177.5 -131.2 12.1 153.7 0 0.0 0 0.0 0 0.0 0 0.0 7 23
364 A 413 ALA A - 0 0 -116.1 143.5 178.6 -131.2 18.5 157.3 0 0.0 366 -0.9 0 0.0 0 0.0 5 30
365 A 414 ARG R - 0 0 -94.6 101.3 -179.4 -164.1 35.1 149.9 0 0.0 0 0.0 0 0.0 0 0.0 8 39
366 A 415 GLU E - 0 0 -82.0 166.8 176.0 -96.6 26.6 111.8 364 -0.9 0 0.0 0 0.0 0 0.0 7 36
367 A 416 CYS C - 0 0 -80.8 144.4 178.3 -136.5 42.2 129.8 0 0.0 0 0.0 0 0.0 0 0.0 9 47
368 A 417 ARG R E E EG - 162 0 -103.7 148.8 179.9 -129.1 12.9 142.6 162 -2.2 162 -2.8 0 0.0 0 0.0 10 51
369 A 418 GLY G E E EG - 161 0 -92.1 170.1 178.7 -172.2 20.7 112.9 0 0.0 0 0.0 0 0.0 0 0.0 8 50
370 A 419 PHE F E E EG - 160 0 -164.6 134.6 179.6 -125.1 22.1 155.0 160 -1.9 160 -2.4 0 0.0 0 0.0 10 48
371 A 420 TYR Y e - 0 0 -81.4 142.6 -177.4 -169.5 34.9 129.7 0 0.0 53 -2.6 0 0.0 0 0.0 11 43
372 A 421 PHE F E E BB - 52 0 -132.2 167.5 175.6 -142.2 19.1 145.9 0 0.0 0 0.0 0 0.0 0 0.0 10 48
373 A 422 GLU E E E BB - 51 0 -134.0 138.6 -179.0 -142.1 16.9 174.6 51 -2.7 51 -2.0 0 0.0 0 0.0 9 45
374 A 423 LEU L E E BB - 50 0 -103.2 137.6 179.7 -160.7 5.7 149.0 0 0.0 376 -0.5 0 0.0 0 0.0 9 45
375 A 424 GLN Q E E BB - 49 0 -117.6 118.1 178.3 -133.2 20.5 163.4 49 -1.8 49 -2.1 0 0.0 377 -0.6 7 33
376 A 425 GLU E E E BB - 48 0 -72.1 117.4 -178.7 -172.4 36.6 129.0 374 -0.5 0 0.0 0 0.0 0 0.0 8 31
377 A 426 LEU L E E B* - 0 0 -104.8 -178.4 -179.5 -85.1 21.9 114.2 47 -3.0 0 0.0 375 -0.6 0 0.0 8 30
378 A 427 LYS K E E B* - 0 0 -78.3 179.9 179.0 -68.1 58.8 97.9 0 0.0 47 -1.0 0 0.0 0 0.0 7 26
379 A 428 GLU E E E BB + 46 0 -68.0 143.7 179.0 155.4 66.7 111.3 0 0.0 0 0.0 0 0.0 0 0.0 8 27
380 A 429 ASP D E E BB - 45 0 -166.1 168.6 -179.9 -81.2 45.7 177.2 45 -1.4 45 -1.2 0 0.0 0 0.0 10 30
381 A 430 ASP D E E BB - 44 0 -80.2 124.2 178.5 -165.4 45.6 128.5 0 0.0 0 0.0 0 0.0 0 0.0 10 32
382 A 431 TYR Y E E BB - 43 0 -108.7 162.2 -179.7 -178.0 12.8 133.0 43 -2.4 43 -0.9 0 0.0 0 0.0 14 42
383 A 432 TYR Y + 0 0 -124.1 -123.5 -178.5 152.4 13.0 87.8 2 -1.5 0 0.0 0 0.0 0 0.0 14 48
384 A 433 GLY G - 0 0 104.6 158.7 -178.1 -118.5 33.2 104.8 0 0.0 0 0.0 0 0.0 0 0.0 12 60
385 A 434 ILE I - 0 0 -140.1 147.5 -179.7 -126.4 14.8 166.7 0 0.0 387 -0.6 0 0.0 0 0.0 11 57
386 A 435 THR T - 0 0 -104.5 119.5 -179.7 -156.7 17.8 152.2 39 -2.2 38 -3.2 0 0.0 0 0.0 11 43
387 A 436 LEU L B B E - 37 0 -84.2 159.6 -178.4 -72.6 45.1 114.3 385 -0.6 0 0.0 0 0.0 0 0.0 13 44
388 A 437 SER S t > T - 0 0 -58.5 142.3 179.8 -123.4 38.0 107.3 36 -0.6 391 -2.0 0 0.0 0 0.0 10 30
389 A 438 ASP D T T 3 TS+ 0 0 -60.1 -13.2 178.5 52.3 112.2 52.8 0 0.0 0 0.0 0 0.0 0 0.0 6 19
390 A 439 ASP D T T 3 TS+ 0 0 -102.8 -4.1 177.2 82.3 94.0 57.3 0 0.0 0 0.0 0 0.0 0 0.0 5 18
391 A 440 SER S S t < TS- 0 0 -81.2 -170.6 178.6 -88.6 105.6 92.4 388 -2.0 0 0.0 0 0.0 0 0.0 8 28
392 A 441 ASP D - 0 0 -77.5 -4.9 179.7 -125.8 54.6 57.2 0 0.0 0 0.0 0 0.0 0 0.0 5 34
393 A 442 HIS H S e S+ 0 0 72.9 8.6 -176.6 103.5 75.5 64.0 0 0.0 405 -1.2 0 0.0 0 0.0 11 38
394 A 443 GLN Q E E GK + 404 0 -123.4 157.1 177.3 164.1 39.2 146.4 0 0.0 0 0.0 0 0.0 0 0.0 12 52
395 A 444 PHE F E E GK - 403 0 -155.7 179.1 -177.3 -93.3 35.8 155.0 403 -2.2 403 -3.1 0 0.0 0 0.0 12 63
396 A 445 LEU L E E GK - 402 0 -108.5 135.1 176.7 -137.3 24.7 149.0 28 -2.4 9 -2.0 0 0.0 0 0.0 17 70
397 A 446 LEU L B e B > T - 8 0 -76.1 172.4 -178.8 -93.3 43.7 106.4 401 -2.6 400 -2.1 0 0.0 0 0.0 12 70
398 A 447 ALA A T T 3 TS+ 0 0 -59.2 -24.4 -179.4 53.7 130.3 41.1 7 -2.6 0 0.0 0 0.0 0 0.0 9 60
399 A 448 ASN N T T 3 TS- 0 0 -90.9 3.5 -179.8 -107.6 122.5 66.7 0 0.0 0 0.0 0 0.0 0 0.0 11 65
400 A 449 GLN Q t < T + 0 0 84.7 -0.8 177.7 149.9 67.0 68.7 397 -2.1 163 -1.9 0 0.0 0 0.0 12 67
401 A 450 VAL V B e G - 162 0 -65.8 126.2 -178.5 -123.9 50.5 117.1 0 0.0 397 -2.6 0 0.0 403 -0.7 12 64
402 A 451 VAL V E E GK - 396 0 -73.2 112.3 179.4 -171.3 36.6 132.8 161 -1.7 0 0.0 0 0.0 0 0.0 14 70
403 A 452 VAL V E E GK - 395 0 -112.7 155.2 -178.6 -134.7 15.2 146.2 395 -3.1 395 -2.2 401 -0.7 0 0.0 10 67
404 A 453 HIS H E E GK 394 0 -98.6 161.5 178.3 999.9 999.9 122.8 80 -0.6 0 0.0 0 0.0 0 0.0 9 57
405 A 454 ASN N e 0 0 -57.9 999.9 999.9 999.9 999.9 111.6 393 -1.2 0 0.0 0 0.0 0 0.0 9 52
1dfaA.pdb
1DFA HYDROLASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand B TT EEEBTTS EEEGGG TT BB TTS B B EEEEEEEEEE SS S S TTS SEEEEETT EEEEEEE EEESSSSS SS Kabs/Sand
chirality --++-----+-+-+--+++--++-----+-+----++---+-+-----+--+-++++-+-+-++----+++-+--++---+----++-++---+-+-+- chirality
bends SS SSS SSS SS SSS SS S S S S S SS SSSSS SS bends
turns TTTT TTTT TTTTTTTTT TTTT TTTT TTTT turns
5-turns 5-turns
3-turns >33< >33< >>3<<>33< >33< >33< >33< 3-turns
bridge-2 B CCCCC A F bridge-2
bridge-1 A AAAC AAA CD D E BBBB*BBBBB CCCCC DDDDDDD EEE bridge-1
sheets AAA AAA BBBBBBBBBB BBBBB CCCCCCC DDD sheets
4-turns 4-turns
summary BtTTeEEEeTTteEEEeGGgtTTt BBtTTt B B EEEEEEEEEEe SS S StTTt eEEEEEeTeEEEEEEEeEEESSSSS SS summary
sequence CFAKGTNVLMADGSIECIENIEVGNKVMGKDGRPREVIKLPRGRETMYSVVQKSQHRAHKSDSSREVPELLKFTCNATHELVVRTPRSVRRLSRTIKGVE sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEEEEEEEE TTS EEEEEEEE SS S EEEEEEEGGGGGGS HHHHHH BEEE TTTT SSSHHHHHHHHHHHHHH BTT Kabs/Sand
chirality +---+-+-+-----+-+---+-------+-+- +--+----++++++--+++++++------++---++++++ ++++++++++++++++-+--+- chirality
bends SSS SS S S SSSSSSS SSSSSS SSSS SSSSSSSSSSSSSSSSS SS bends
turns TTTT TTTTTTTTTTTTTTTT TTTTTT TTTTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >33< >>3XX3<< >33< >33< >33 3-turns
bridge-2 FFFFFFFF G bridge-2
bridge-1 EEE FFFFFFFF DDDDDDD FGGG H bridge-1
sheets DDDDDDDDD DDDDDDDD CCCCCCC EEE sheets
4-turns >>>><<<< >444< >>>>XXXXXXXX<<<< 4-turns
summary EEEEEEEEEeTTteEEEEEEEE SS S eEEEEEEEeGGGGGghHHHHHHhBEEE tTTTTt SShHHHHHHHHHHHHHHhBTT summary
sequence YFEVITFEMGQKKAPDGRIVELVKEVSKSYPISEKAYFEWTIEARDLSLLGSHVRKATYQTYAPILYENDHFFDYMQLTIEGPKVLAYLLGLWIGDGLSD sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand BS TT HHHHHHHHHHHHHTS SS S TTHHHHHHTT BSSSSB GGGGTS HHHHHHHHHHHHHHH EE TTS EEEEEES HHHHHH Kabs/Sand
chirality -++----++++++++++++++++-+--++ -+-++++++++-++---+-----+++++--+++++++++++++-+----++--+----+-+-++++++ chirality
bends SS SS SSSSSSSSSSSSSSS SS S SSSSSSSSS SSSSS SSSSSS SSSSSSSSSSSSSSS SSS S SSSSSS bends
turns T TTTTTTTTTTTTTTTTTTT TTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTTTTT turns
5-turns >5555< 5-turns
3-turns < >33< >>3<< >33< >33< >>><<< >33< 3-turns
bridge-2 IIIII bridge-2
bridge-1 H I I HH HH bridge-1
sheets FF FFFFFF sheets
4-turns >>>>XXXXXXX<<<< >4>>X><<<< >444<>>>>XXXXXXXXX<<<< >>>>XXX 4-turns
summary BS tTThHHHHHHHHHHHHHht SS StThHHHHHHhTtBSSSSB gGGGGgthHHHHHHHHHHHHHHHheEEtTTt EEEEEEShHHHHHH summary
sequence RATFSVDSRDTSLMERVTEYAEKLNLCAEYKNTENPLWDAIVGLGFLKDGVKNIPSFLSTDNIGTRETFLAGLIDSDGYVTDEHGIKATIKTIHTSVRDG sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand HHHHHHHTT EEEEEEEE GGGTSS SEEEEEEEE THHHHHHHTT STTT SS EEE EEEEEEEEEEE B TTS SEEEBTT Kabs/Sand
chirality +++++++-+--+---+-------++--+++-----++-++++++++++-+-+++-----+------------------+---+-----++--++---+-+ chirality
bends SSSSSSSSS SSS SS S SSSSSSSSSS SSSS SS SSS S SS bends
turns TTTTTTTTTT TTTTTT TTTTTTTTTTTT TTTTT TTTT TTTT turns
5-turns >5555< 5-turns
3-turns >33< >>3<< >33<>33X>3<< >33< >33< >33< 3-turns
bridge-2 JJJJJJJJ bridge-2
bridge-1 JJJJJJJJ IIIII GGG BBBBB**BBBB E KKKB bridge-1
sheets FFFFFFFF FFFFFFFF EEE BBBBBBBBBBB GGG sheets
4-turns XXXX<<<< >444< >>4>X<4<< >444< 4-turns
summary HHHHHHHhTtEEEEEEEEe gGGGgtS eEEEEEEEEthHHHHHHHhTt tTTTt SS EEEeEEEEEEEEEEE BtTTt eEEEeTTt summary
sequence LVSLARSLGLVVSVNAEPAKVDMNGTKHKISYAIYMSGGDVLLNVLSKCAGSKKFRPAPAAAFARECRGFYFELQELKEDDYYGITLSDDSDHQFLLANQ sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand BEEE Kabs/Sand
chirality --- chirality
bends bends
turns turns
5-turns 5-turns
3-turns 3-turns
bridge-2 bridge-2
bridge-1 GKKK bridge-1
sheets GGG sheets
4-turns 4-turns
summary eEEEe summary
sequence VVVHN sequence
Messages
chain break between 134(A 134 ) and 135(A 152 )
chain break between 177(A 194 ) and 178(A 200 )
chain break between 231(A 253 ) and 232(A 281 )