Secondary structure calculation program - copyright by David Keith Smith, 1989
1dysA.pdb
1DYS CELLULASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 345
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 3 GLY G 0 0 999.9 152.9 177.4 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 28
2 A 4 ASN N t > T - 0 0 -79.4 124.5 -177.4 -144.0 999.9 132.6 0 0.0 5 -1.3 0 0.0 0 0.0 5 45
3 A 5 PRO P T T 3 TS+ 0 0 -66.4 -16.4 -177.6 56.4 96.3 46.1 0 0.0 0 0.0 0 0.0 0 0.0 8 49
4 A 6 PHE F T T > TS+ 0 0 -90.5 -16.2 179.2 125.1 75.9 54.4 0 0.0 7 -2.4 0 0.0 0 0.0 11 53
5 A 7 SER S T T < TS- 0 0 -49.7 119.7 -179.5 -4.4 88.8 104.5 2 -1.3 0 0.0 0 0.0 0 0.0 7 36
6 A 8 GLY G T T 3 TS+ 0 0 69.8 10.9 179.5 109.3 114.4 57.1 0 0.0 0 0.0 0 0.0 0 0.0 5 26
7 A 9 ARG R t < T - 0 0 -110.6 166.4 175.8 -131.9 63.0 130.1 4 -2.4 0 0.0 0 0.0 0 0.0 9 42
8 A 10 THR T E E Aa - 77 0 -116.7 129.1 175.5 -117.4 26.9 169.7 76 -2.2 78 -1.8 0 0.0 0 0.0 11 49
9 A 11 LEU L E E Aa - 78 0 -64.1 128.7 -173.5 -108.8 44.3 115.5 0 0.0 0 0.0 0 0.0 0 0.0 14 64
10 A 12 LEU L e - 0 0 -66.8 138.5 176.2 -111.7 26.8 111.9 78 -2.7 47 -1.4 0 0.0 0 0.0 14 63
11 A 13 VAL V - 0 0 -63.5 144.4 174.9 -126.5 25.8 111.2 0 0.0 13 -0.8 0 0.0 0 0.0 12 58
12 A 14 ASN N h > T - 0 0 -91.2 111.9 -176.7 -159.8 19.3 146.1 0 0.0 16 -2.5 0 0.0 0 0.0 11 59
13 A 15 SER S H H > TS+ 0 0 -67.1 -32.2 179.7 53.3 87.2 32.4 11 -0.8 17 -2.0 0 0.0 0 0.0 8 50
14 A 16 ASP D H H > TS+ 0 0 -67.7 -47.1 177.2 44.8 112.2 19.5 0 0.0 18 -2.2 0 0.0 0 0.0 6 48
15 A 17 TYR Y H H > TS+ 0 0 -59.0 -47.6 176.1 53.5 111.2 22.6 0 0.0 19 -2.2 0 0.0 0 0.0 10 51
16 A 18 A SER S H H X TS+ 0 0 -55.4 -37.3 176.5 51.6 108.1 21.2 12 -2.5 20 -0.6 0 0.0 0 0.0 12 49
17 A 19 A SER S H H X > TS+ 0 0 -64.9 -43.1 -179.7 50.6 108.2 20.6 13 -2.0 20 -1.3 0 0.0 21 -0.5 9 38
18 A 20 LYS K H H X > TS+ 0 0 -64.1 -34.3 177.9 61.3 102.7 28.1 14 -2.2 21 -1.3 0 0.0 22 -0.6 9 41
19 A 21 LEU L H H X 3 TS+ 0 0 -65.6 -21.4 175.8 79.3 83.3 47.9 15 -2.2 23 -2.5 0 0.0 0 0.0 12 51
20 A 22 ASP D H H X < TS+ 0 0 -54.8 -36.9 176.6 57.1 88.6 25.6 17 -1.3 24 -3.5 16 -0.6 0 0.0 11 41
21 A 23 GLN Q H H X < TS+ 0 0 -57.7 -40.6 -178.7 47.6 107.7 22.3 18 -1.3 25 -2.4 17 -0.5 0 0.0 9 39
22 A 24 THR T H H X TS+ 0 0 -66.8 -46.6 176.6 49.0 111.3 23.2 18 -0.6 26 -2.3 0 0.0 0 0.0 13 48
23 A 25 ARG R H H X TS+ 0 0 -58.6 -46.5 174.4 49.7 112.1 19.7 19 -2.5 27 -2.4 0 0.0 0 0.0 13 43
24 A 26 GLN Q H H X TS+ 0 0 -58.8 -41.5 -179.0 53.1 108.8 28.5 20 -3.5 28 -2.5 0 0.0 0 0.0 9 32
25 A 27 ALA A H H < TS+ 0 0 -60.8 -45.8 177.9 45.1 111.0 18.7 21 -2.4 0 0.0 0 0.0 0 0.0 9 34
26 A 28 PHE F H H < >>TS+ 0 0 -63.8 -47.1 178.8 52.4 111.9 15.7 22 -2.3 31 -2.0 0 0.0 29 -1.8 13 34
27 A 29 LEU L H H < >5TS+ 0 0 -54.1 -44.8 -179.3 61.0 102.3 22.6 23 -2.4 30 -2.7 0 0.0 0 0.0 10 26
28 A 30 A SER S T h < 35TS+ 0 0 -62.5 -7.5 175.3 46.3 105.4 59.5 24 -2.5 0 0.0 0 0.0 0 0.0 7 20
29 A 31 ARG R T T <5TS- 0 0 -115.1 10.9 -179.8 -106.2 121.9 82.0 26 -1.8 0 0.0 0 0.0 0 0.0 6 18
30 A 32 GLY G T T <5TS+ 0 0 73.3 11.9 -179.2 144.4 73.7 56.4 27 -2.7 32 -1.5 0 0.0 0 0.0 6 18
31 A 33 ASP D h > T + 0 0 -74.2 -35.0 -178.0 63.2 68.4 35.7 30 -1.5 36 -2.3 0 0.0 0 0.0 8 24
33 A 35 THR T H H > TS+ 0 0 -59.4 -49.8 177.3 35.9 110.9 22.6 0 0.0 37 -1.4 0 0.0 0 0.0 7 31
34 A 36 ASN N H H > TS+ 0 0 -77.1 -26.7 176.4 58.9 112.8 34.7 0 0.0 38 -2.2 0 0.0 0 0.0 12 41
35 A 37 ALA A H H X TS+ 0 0 -62.8 -38.7 179.9 48.9 107.4 22.7 31 -1.5 39 -2.3 0 0.0 0 0.0 14 39
36 A 38 ALA A H H X TS+ 0 0 -68.1 -37.5 176.0 54.2 107.4 31.3 32 -2.3 40 -1.9 0 0.0 0 0.0 10 39
37 A 39 LYS K H H X TS+ 0 0 -64.3 -42.1 175.8 50.7 107.8 27.5 33 -1.4 41 -2.2 0 0.0 0 0.0 11 44
38 A 40 VAL V H H X TS+ 0 0 -58.7 -47.8 179.5 49.9 109.5 20.9 34 -2.2 42 -2.7 0 0.0 0 0.0 13 58
39 A 41 LYS K H H X TS+ 0 0 -60.5 -31.5 176.8 56.7 106.7 27.8 35 -2.3 43 -1.9 0 0.0 0 0.0 10 43
40 A 42 TYR Y H H X TS+ 0 0 -61.5 -51.9 177.3 43.7 110.3 13.0 36 -1.9 44 -2.9 0 0.0 0 0.0 11 46
41 A 43 VAL V H H X TS+ 0 0 -60.6 -41.1 -176.9 56.6 111.2 28.8 37 -2.2 45 -1.3 0 0.0 0 0.0 10 63
42 A 44 GLN Q H H < TS+ 0 0 -59.7 -36.2 -175.0 21.5 122.4 31.3 38 -2.7 0 0.0 0 0.0 0 0.0 13 47
43 A 45 GLU E H H < TS+ 0 0 -106.0 -27.1 -172.5 31.3 131.9 46.6 39 -1.9 0 0.0 0 0.0 0 0.0 8 41
44 A 46 LYS K H H < TS+ 0 0 -118.5 1.0 -175.1 81.3 93.9 66.6 40 -2.9 46 -0.6 0 0.0 0 0.0 7 46
45 A 47 VAL V h < T - 0 0 -117.2 114.6 -176.7 -142.2 66.0 164.2 41 -1.3 0 0.0 0 0.0 0 0.0 12 62
46 A 48 GLY G - 0 0 -72.4 148.5 176.6 -177.3 19.9 117.6 44 -0.6 0 0.0 0 0.0 0 0.0 13 65
47 A 49 THR T - 0 0 -138.6 143.5 174.9 -107.6 28.2 169.6 10 -1.4 0 0.0 0 0.0 0 0.0 15 69
48 A 50 PHE F - 0 0 -67.5 157.2 172.6 -122.8 27.6 109.2 306 -1.8 0 0.0 0 0.0 0 0.0 15 75
49 A 51 TYR Y E E Ab - 81 0 -96.3 127.0 179.9 -135.5 22.9 153.2 80 -2.6 82 -2.7 0 0.0 51 -0.6 12 63
50 A 52 TRP W E E Ab - 82 0 -91.7 119.0 -177.9 -168.8 15.0 139.6 0 0.0 52 -1.1 0 0.0 0 0.0 10 61
51 A 53 ILE I E E Ab + 83 0 -103.0 68.5 -165.6 159.7 25.1 132.5 82 -2.3 84 -1.3 49 -0.6 0 0.0 14 56
52 A 54 SER S + 0 0 -81.4 0.1 177.2 5.6 58.1 69.7 50 -1.1 0 0.0 0 0.0 0 0.0 10 51
53 A 55 ASN N S S S- 0 0 -170.2 172.8 -173.3 -88.9 84.0 165.2 0 0.0 0 0.0 0 0.0 0 0.0 11 44
54 A 56 ILE I S g > TS+ 0 0 -64.4 -39.7 175.3 58.1 121.6 26.7 0 0.0 57 -1.8 0 0.0 0 0.0 9 41
55 A 57 PHE F G G > TS+ 0 0 -53.5 -45.6 -178.6 56.7 102.2 29.3 0 0.0 58 -1.2 0 0.0 0 0.0 5 27
56 A 58 LEU L G G > TS+ 0 0 -72.7 -1.5 169.5 94.4 74.1 61.2 0 0.0 59 -2.0 0 0.0 0 0.0 10 37
57 A 59 LEU L G h > X TS+ 0 0 -54.2 -27.0 177.0 68.7 77.2 33.9 54 -1.8 60 -1.9 0 0.0 61 -0.8 12 40
58 A 60 ARG R H H > < TS+ 0 0 -60.7 -28.5 176.0 67.6 85.1 37.9 55 -1.2 62 -1.7 0 0.0 0 0.0 7 33
59 A 61 ASP D H H > < TS+ 0 0 -66.1 -20.8 175.3 62.8 90.3 41.9 56 -2.0 63 -2.6 0 0.0 0 0.0 10 43
60 A 62 ILE I H H > < TS+ 0 0 -67.4 -40.2 176.4 48.2 103.2 21.4 57 -1.9 64 -2.8 0 0.0 0 0.0 13 53
61 A 63 ASP D H H X TS+ 0 0 -60.6 -42.4 176.8 51.4 111.3 21.6 57 -0.8 65 -2.5 0 0.0 0 0.0 9 41
62 A 64 VAL V H H X TS+ 0 0 -58.0 -49.5 -179.1 47.1 110.8 20.6 58 -1.7 66 -2.4 0 0.0 0 0.0 8 39
63 A 65 ALA A H H X TS+ 0 0 -60.4 -43.2 -179.8 49.9 112.2 24.3 59 -2.6 67 -2.6 0 0.0 0 0.0 12 52
64 A 66 ILE I H H X TS+ 0 0 -64.3 -41.0 176.9 51.7 109.2 25.3 60 -2.8 68 -2.6 0 0.0 0 0.0 11 53
65 A 67 GLN Q H H X TS+ 0 0 -57.3 -50.2 177.6 45.9 112.9 17.1 61 -2.5 69 -2.3 0 0.0 0 0.0 8 38
66 A 68 ASN N H H X TS+ 0 0 -60.3 -40.0 179.7 52.6 110.9 25.7 62 -2.4 70 -1.9 0 0.0 0 0.0 10 47
67 A 69 ALA A H H X TS+ 0 0 -63.5 -44.9 -180.0 47.7 110.6 19.2 63 -2.6 71 -2.3 0 0.0 0 0.0 13 49
68 A 70 ARG R H H X TS+ 0 0 -67.8 -31.2 176.3 50.2 111.6 33.0 64 -2.6 72 -1.4 0 0.0 0 0.0 9 36
69 A 71 ALA A H H X TS+ 0 0 -71.9 -35.0 180.0 50.3 110.4 31.3 65 -2.3 73 -0.8 0 0.0 0 0.0 8 29
70 A 72 ALA A H H < >>TS+ 0 0 -67.0 -44.0 -177.6 49.5 109.9 18.9 66 -1.9 75 -2.2 0 0.0 73 -1.1 11 32
71 A 73 LYS K H H < >5TS+ 0 0 -69.6 -26.0 174.9 61.1 104.5 32.2 67 -2.3 74 -1.2 0 0.0 0 0.0 10 28
72 A 74 ALA A H H < 35TS+ 0 0 -73.3 -20.7 175.9 50.6 102.0 42.4 68 -1.4 0 0.0 0 0.0 0 0.0 7 18
73 A 75 ARG R T h < <5TS- 0 0 -100.7 19.5 175.7 -91.3 132.2 79.1 70 -1.1 0 0.0 69 -0.8 0 0.0 6 16
74 A 76 GLY G T T <5TS+ 0 0 94.1 2.2 179.9 134.3 82.8 65.4 71 -1.2 0 0.0 0 0.0 0 0.0 6 18
75 A 77 GLU E t T - 0 0 -57.8 141.4 174.3 -104.0 47.7 97.2 0 0.0 89 -1.4 0 0.0 0 0.0 12 68
87 A 89 PRO P T T 3 TS+ 0 0 -63.7 136.8 -176.8 13.6 110.9 116.6 0 0.0 0 0.0 0 0.0 0 0.0 14 59
88 A 90 ASP D T T 3 TS- 0 0 59.1 36.8 178.7 -160.6 98.2 27.9 100 -2.1 0 0.0 0 0.0 0 0.0 14 53
89 A 91 ARG R t < T + 0 0 -46.8 136.8 -178.7 11.1 66.1 95.2 86 -1.4 97 -1.2 100 -0.5 0 0.0 13 58
90 A 92 ASP D S g > TS- 0 0 53.0 59.4 -169.4 -173.0 79.3 21.2 0 0.0 93 -2.0 0 0.0 0 0.0 12 57
91 A 93 CYS C G G > T + 0 0 -62.1 -26.4 -176.8 76.3 67.7 41.1 0 0.0 94 -2.4 0 0.0 0 0.0 14 46
92 A 94 A SER S G G 3 TS+ 0 0 -60.7 -17.6 176.7 61.1 88.0 37.5 0 0.0 0 0.0 0 0.0 0 0.0 10 36
93 A 95 ALA A G G < TS- 0 0 -85.4 -8.0 171.8 -113.8 116.9 53.2 90 -2.0 0 0.0 0 0.0 0 0.0 7 31
94 A 96 GLY G S g < TS+ 0 0 99.6 -2.8 179.4 46.8 87.3 71.2 91 -2.4 0 0.0 0 0.0 0 0.0 8 31
95 A 97 GLU E S S S- 0 0 -161.9 146.2 176.3 -78.7 99.1 164.1 0 0.0 0 0.0 0 0.0 0 0.0 11 33
96 A 98 SER S - 0 0 -49.6 139.3 172.9 -152.0 27.8 104.4 0 0.0 0 0.0 0 0.0 0 0.0 13 44
97 A 99 SER S S S S+ 0 0 -87.1 -4.4 179.7 54.2 80.8 62.0 89 -1.2 0 0.0 0 0.0 0 0.0 9 39
98 A 100 GLY G S S S- 0 0 -117.1 -171.0 -175.4 -88.9 103.7 120.6 0 0.0 0 0.0 0 0.0 0 0.0 12 44
99 A 101 GLU E S S S+ 0 0 -79.4 -13.5 -176.8 82.8 97.6 47.3 0 0.0 0 0.0 0 0.0 0 0.0 8 36
100 A 102 LEU L - 0 0 -103.8 133.1 179.5 -178.7 52.4 139.3 0 0.0 88 -2.1 0 0.0 89 -0.5 15 42
101 A 103 LYS K g >>T - 0 0 -126.5 138.9 -177.8 -134.3 30.9 171.6 0 0.0 104 -1.9 0 0.0 106 -1.5 14 40
102 A 104 LEU L G G >5TS+ 0 0 -61.7 -36.3 179.3 55.5 108.6 25.2 0 0.0 105 -0.6 0 0.0 0 0.0 11 39
103 A 105 SER S G G 35TS+ 0 0 -75.8 0.5 175.9 57.8 102.8 66.8 0 0.0 0 0.0 0 0.0 0 0.0 5 30
104 A 106 GLN Q G G <5TS- 0 0 -123.2 49.4 179.3 -86.4 132.2 113.6 101 -1.9 0 0.0 0 0.0 0 0.0 6 27
105 A 107 ASN N T h > <5TS+ 0 0 53.7 33.7 -171.3 156.1 78.4 36.7 102 -0.6 109 -1.9 0 0.0 0 0.0 8 27
106 A 108 GLY G H H > TS+ 0 0 -61.2 -47.0 177.8 44.1 111.2 15.0 0 0.0 111 -2.4 0 0.0 0 0.0 13 40
108 A 110 ASN N H H > TS+ 0 0 -63.5 -41.4 -179.0 49.4 114.5 23.4 0 0.0 112 -2.8 0 0.0 0 0.0 8 34
109 A 111 ARG R H H X >TS+ 0 0 -65.2 -39.7 175.1 54.0 109.0 28.1 105 -1.9 113 -2.6 0 0.0 114 -0.7 10 38
110 A 112 TYR Y H H X >TS+ 0 0 -61.2 -46.9 176.2 40.5 114.5 21.5 106 -2.7 115 -3.4 0 0.0 114 -0.9 14 51
111 A 113 LYS K H H < >TS+ 0 0 -64.1 -53.7 -168.9 29.1 127.4 15.4 107 -2.4 116 -2.7 0 0.0 0 0.0 12 45
112 A 114 ASN N H H < 5TS+ 0 0 -83.7 -32.1 -177.3 32.4 129.4 33.7 108 -2.8 0 0.0 0 0.0 0 0.0 9 33
113 A 115 GLU E H H < 5TS+ 0 0 -102.0 -12.8 -178.4 19.7 133.3 53.2 109 -2.6 0 0.0 0 0.0 0 0.0 10 38
114 A 116 TYR Y T h X TS+ 0 0 -63.0 -36.9 176.7 54.6 113.4 30.4 0 0.0 121 -2.1 0 0.0 0 0.0 10 38
118 A 120 PHE F H H X TS+ 0 0 -59.8 -48.7 -177.9 44.3 111.3 15.6 114 -1.8 122 -2.0 0 0.0 0 0.0 10 60
119 A 121 ALA A H H X TS+ 0 0 -66.4 -37.3 -179.7 56.3 109.3 32.1 115 -3.1 123 -2.9 0 0.0 0 0.0 10 53
120 A 122 GLN Q H H X TS+ 0 0 -59.4 -48.2 -178.7 47.7 108.2 23.4 116 -2.6 124 -2.0 0 0.0 0 0.0 8 35
121 A 123 LYS K H H X TS+ 0 0 -63.7 -39.3 179.5 43.6 115.6 24.4 117 -2.1 125 -1.4 0 0.0 0 0.0 10 45
122 A 124 LEU L H H < TS+ 0 0 -74.9 -38.4 -178.7 50.4 113.0 24.5 118 -2.0 0 0.0 0 0.0 0 0.0 10 51
123 A 125 LYS K H H < TS+ 0 0 -70.2 -27.5 176.9 53.4 109.2 34.5 119 -2.9 0 0.0 0 0.0 0 0.0 9 34
124 A 126 ALA A H H < TS+ 0 0 -71.1 -32.8 -177.8 62.6 100.7 28.6 120 -2.0 126 -1.5 0 0.0 0 0.0 6 28
125 A 127 ALA A h < > T + 0 0 -92.6 62.5 -178.0 152.6 61.1 110.4 121 -1.4 128 -2.1 0 0.0 0 0.0 8 39
126 A 128 A SER S T T 3 T + 0 0 -64.6 -15.9 177.8 64.0 66.9 50.0 124 -1.5 0 0.0 0 0.0 0 0.0 8 31
127 A 129 ASP D T T 3 TS+ 0 0 -83.7 -12.6 -179.4 76.7 93.4 64.6 0 0.0 0 0.0 0 0.0 0 0.0 5 35
128 A 130 VAL V S t < TS- 0 0 -108.8 140.1 176.1 -136.5 74.4 152.8 125 -2.1 0 0.0 0 0.0 0 0.0 12 46
129 A 131 GLN Q e - 0 0 -91.3 137.6 -179.0 -164.8 25.0 143.0 0 0.0 79 -2.6 0 0.0 0 0.0 11 55
130 A 132 PHE F E E Acd - 79 173 -125.9 139.4 168.3 -164.5 20.9 160.9 172 -2.9 174 -2.8 0 0.0 132 -0.5 12 72
131 A 133 ALA A E E Acd - 80 174 -112.3 114.9 -175.5 -167.1 21.7 171.7 79 -2.8 81 -2.5 0 0.0 133 -0.6 13 81
132 A 134 VAL V E E Acd - 81 175 -112.8 123.5 174.6 -152.8 11.7 157.8 174 -2.7 176 -2.9 130 -0.5 134 -0.5 12 77
133 A 135 ILE I E E Acd - 82 176 -89.3 125.1 -177.3 -138.8 20.9 142.0 81 -2.6 83 -3.2 131 -0.6 135 -0.8 15 71
134 A 136 LEU L E E Acd - 83 177 -100.6 118.7 171.2 -37.2 56.0 141.2 176 -2.9 178 -1.9 132 -0.5 0 0.0 12 77
135 A 137 GLU E e > T - 0 0 41.6 76.8 177.1 -125.4 68.3 19.9 83 -2.9 138 -2.4 133 -0.8 0 0.0 13 71
136 A 138 PRO P T T 3 TS- 0 0 -45.7 133.1 178.6 -0.4 86.5 94.1 0 0.0 0 0.0 0 0.0 0 0.0 13 68
137 A 139 ASP D T h > 3 TS+ 0 0 64.2 2.0 -176.0 118.7 93.2 63.7 0 0.0 141 -2.2 0 0.0 0 0.0 10 61
138 A 140 ALA A H H > < TS+ 0 0 -62.0 -50.0 179.5 44.7 78.6 19.5 135 -2.4 142 -1.8 0 0.0 0 0.0 12 69
139 A 141 ILE I H H > TS+ 0 0 -61.1 -35.3 175.4 55.5 110.5 26.6 178 -0.5 143 -2.7 0 0.0 0 0.0 13 67
140 A 142 GLY G H H > TS+ 0 0 -56.9 -51.0 -179.6 46.6 109.4 15.6 0 0.0 144 -2.3 0 0.0 0 0.0 13 59
141 A 143 ASN N H H X TS+ 0 0 -62.7 -32.2 176.8 51.8 112.5 34.7 137 -2.2 145 -0.9 0 0.0 0 0.0 12 58
142 A 144 MET M H H < TS+ 0 0 -71.8 -41.3 178.5 42.5 113.4 25.3 138 -1.8 0 0.0 0 0.0 0 0.0 11 56
143 A 145 VAL V H H < TS+ 0 0 -71.4 -44.6 -174.6 20.5 131.3 34.3 139 -2.7 0 0.0 0 0.0 0 0.0 10 48
144 A 146 THR T H H < TS+ 0 0 -108.0 -1.5 -176.5 111.8 93.0 62.7 140 -2.3 146 -1.2 0 0.0 0 0.0 6 43
145 A 147 GLY G h < T + 0 0 -79.6 96.1 -180.0 153.2 26.5 127.8 141 -0.9 0 0.0 0 0.0 0 0.0 11 37
146 A 148 THR T + 0 0 -104.4 2.4 178.0 114.1 32.0 67.0 144 -1.2 0 0.0 0 0.0 0 0.0 6 24
147 A 149 SER S S h > TS- 0 0 -66.8 157.3 177.7 -111.4 79.8 105.5 0 0.0 151 -2.5 0 0.0 0 0.0 7 23
148 A 150 ALA A H H > TS+ 0 0 -55.1 -44.3 179.1 55.1 117.0 20.4 0 0.0 152 -2.2 0 0.0 0 0.0 6 23
149 A 151 PHE F H H > TS+ 0 0 -59.0 -49.1 177.6 41.4 111.6 24.3 0 0.0 153 -0.6 0 0.0 0 0.0 10 31
150 A 152 CYS C H H > > TS+ 0 0 -64.4 -40.4 -178.8 54.0 112.7 26.2 0 0.0 154 -1.5 0 0.0 153 -0.9 14 36
151 A 153 ARG R H H < 3 TS+ 0 0 -63.3 -34.9 175.6 51.8 107.7 27.3 147 -2.5 0 0.0 0 0.0 0 0.0 10 34
152 A 154 ASN N H H < 3 TS+ 0 0 -69.3 -24.8 -177.4 44.1 113.7 48.5 148 -2.2 0 0.0 0 0.0 0 0.0 7 37
153 A 155 ALA A H H X < TS+ 0 0 -95.3 -16.4 -173.4 90.6 88.7 56.3 150 -0.9 157 -2.5 149 -0.6 0 0.0 11 49
154 A 156 ARG R H H X TS+ 0 0 -49.4 -60.7 -179.4 46.6 86.0 23.7 150 -1.5 158 -2.4 0 0.0 0 0.0 9 48
155 A 157 GLY G H H > TS+ 0 0 -48.1 -62.4 179.1 40.5 117.0 16.0 0 0.0 159 -2.2 0 0.0 0 0.0 7 41
156 A 158 PRO P H H > TS+ 0 0 -61.8 -33.7 -178.7 57.2 112.3 28.4 0 0.0 160 -2.8 0 0.0 0 0.0 9 45
157 A 159 GLN Q H H X TS+ 0 0 -70.0 -35.4 176.7 49.4 106.0 21.2 153 -2.5 161 -2.5 0 0.0 0 0.0 11 65
158 A 160 GLN Q H H X TS+ 0 0 -64.6 -41.5 176.4 48.5 112.4 20.5 154 -2.4 162 -2.6 0 0.0 0 0.0 11 57
159 A 161 GLU E H H X TS+ 0 0 -63.8 -39.2 178.3 52.8 110.2 24.0 155 -2.2 163 -2.2 0 0.0 0 0.0 11 47
160 A 162 ALA A H H X TS+ 0 0 -61.9 -46.5 -177.3 43.0 112.2 22.6 156 -2.8 164 -2.2 0 0.0 0 0.0 12 58
161 A 163 ILE I H H X TS+ 0 0 -68.4 -41.0 177.2 52.1 113.1 21.8 157 -2.5 165 -2.8 0 0.0 0 0.0 13 69
162 A 164 GLY G H H X TS+ 0 0 -59.3 -39.1 178.8 52.4 109.1 26.0 158 -2.6 166 -2.7 0 0.0 0 0.0 14 53
163 A 165 TYR Y H H X TS+ 0 0 -63.0 -41.6 178.3 50.4 107.5 22.1 159 -2.2 167 -1.8 0 0.0 0 0.0 11 50
164 A 166 ALA A H H X TS+ 0 0 -64.5 -40.6 177.3 46.6 112.3 22.2 160 -2.2 168 -0.6 0 0.0 0 0.0 11 64
165 A 167 ILE I H H < > TS+ 0 0 -63.5 -46.8 -177.8 54.6 110.2 24.2 161 -2.8 168 -1.3 0 0.0 0 0.0 14 64
166 A 168 SER S H H < 3 TS+ 0 0 -56.9 -34.8 -178.0 47.0 109.6 35.9 162 -2.7 0 0.0 0 0.0 0 0.0 10 48
167 A 169 GLN Q H H < 3 TS+ 0 0 -84.5 -7.0 -174.4 58.0 106.6 56.4 163 -1.8 0 0.0 0 0.0 0 0.0 9 47
168 A 170 LEU L h < < T + 0 0 -119.1 38.3 177.1 130.9 65.0 104.9 165 -1.3 170 -0.7 164 -0.6 0 0.0 10 53
169 A 171 GLN Q + 0 0 -93.1 115.0 178.6 122.9 29.4 151.1 0 0.0 0 0.0 0 0.0 0 0.0 9 43
170 A 172 ALA A B B A > T - 173 0 -162.9 154.2 -178.3 -111.6 69.2 162.5 168 -0.7 173 -1.2 173 -0.5 0 0.0 7 33
171 A 173 SER S T T 3 TS+ 0 0 -68.5 -15.6 -178.4 47.4 118.2 45.8 0 0.0 0 0.0 0 0.0 0 0.0 5 33
172 A 174 HIS H T e 3 TS+ 0 0 -104.6 4.9 178.2 81.5 98.4 69.1 0 0.0 130 -2.9 0 0.0 174 -0.5 9 41
173 A 175 ILE I E E AdA< T - 130 170 -115.7 120.9 -176.7 -169.1 59.9 159.8 170 -1.2 175 -0.6 0 0.0 170 -0.5 12 51
174 A 176 HIS H E E Ad - 131 0 -115.2 111.7 -172.3 -151.7 11.1 159.7 130 -2.8 132 -2.7 172 -0.5 0 0.0 13 57
175 A 177 LEU L E E Ad - 132 0 -94.1 132.1 176.8 -176.0 14.1 139.0 173 -0.6 212 -2.3 0 0.0 213 -1.6 15 66
176 A 178 TYR Y E E Ade - 133 213 -124.0 110.7 -178.8 -147.8 17.5 164.5 132 -2.9 134 -2.9 0 0.0 0 0.0 15 77
177 A 179 LEU L E E Ade - 134 214 -82.4 124.7 -171.8 -115.5 26.0 131.6 213 -2.8 215 -1.3 0 0.0 0 0.0 12 78
178 A 180 ASP D E E A e - 0 215 -69.4 133.6 175.1 -179.3 30.9 112.3 134 -1.9 139 -0.5 0 0.0 0 0.0 14 79
179 A 181 VAL V e - 0 0 -124.1 47.0 170.2 -126.0 36.9 96.8 215 -2.8 0 0.0 0 0.0 0 0.0 14 77
180 A 182 ALA A - 0 0 56.8 -123.9 179.4 -56.1 50.5 113.0 0 0.0 217 -2.2 0 0.0 218 -0.5 15 70
181 A 183 ASN N h > > T - 0 0 -148.6 170.0 -176.8 -95.3 48.3 164.9 0 0.0 185 -2.0 0 0.0 184 -1.6 14 72
182 A 184 GLY G H H > 3 TS+ 0 0 -62.1 -26.4 177.9 60.8 118.2 37.6 0 0.0 186 -1.7 0 0.0 0 0.0 15 69
183 A 185 GLY G H H 4 3 TS+ 0 0 -68.4 -26.9 -179.0 36.4 113.0 45.8 0 0.0 0 0.0 0 0.0 0 0.0 11 59
184 A 186 TRP W H H 4 < TS+ 0 0 -90.0 -56.0 -170.5 8.9 138.6 28.0 181 -1.6 0 0.0 0 0.0 0 0.0 10 57
185 A 187 LEU L H H < TS+ 0 0 -116.1 7.8 -178.1 86.1 105.9 73.7 181 -2.0 0 0.0 0 0.0 0 0.0 12 59
186 A 188 GLY G h < T + 0 0 -88.5 -14.1 176.7 108.4 62.1 58.6 182 -1.7 0 0.0 0 0.0 0 0.0 16 58
187 A 189 TRP W S g > > TS- 0 0 -58.6 157.4 176.7 -108.0 84.1 103.4 0 0.0 190 -1.8 0 0.0 191 -1.3 13 41
188 A 190 ALA A G G 4 > TS+ 0 0 -51.2 -53.8 -179.4 47.3 119.0 23.2 0 0.0 191 -0.6 0 0.0 0 0.0 7 34
189 A 191 ASP D G G 4 3 TS+ 0 0 -72.7 0.8 178.4 52.5 113.0 65.4 0 0.0 0 0.0 0 0.0 0 0.0 6 26
190 A 192 LYS K G h > < TS+ 0 0 -110.5 -17.6 -179.1 76.8 86.0 51.7 187 -1.8 194 -1.9 0 0.0 0 0.0 11 39
191 A 193 LEU L H H X < TS+ 0 0 -62.5 -41.2 179.8 41.8 100.2 31.3 187 -1.3 195 -1.9 188 -0.6 0 0.0 13 50
192 A 194 GLU E H H > TS+ 0 0 -74.8 -43.3 175.7 53.2 111.3 16.8 0 0.0 196 -2.8 0 0.0 0 0.0 8 40
193 A 195 PRO P H H > TS+ 0 0 -56.7 -34.5 175.7 51.7 110.8 26.8 0 0.0 197 -1.8 0 0.0 0 0.0 9 37
194 A 196 THR T H H X TS+ 0 0 -68.1 -44.2 177.3 46.4 110.0 21.2 190 -1.9 198 -2.0 0 0.0 0 0.0 13 57
195 A 197 ALA A H H X TS+ 0 0 -64.6 -33.5 179.3 54.4 110.1 28.3 191 -1.9 199 -2.5 0 0.0 0 0.0 11 57
196 A 198 GLN Q H H X TS+ 0 0 -65.4 -42.3 177.6 52.4 106.1 26.4 192 -2.8 200 -2.7 0 0.0 0 0.0 8 44
197 A 199 GLU E H H X TS+ 0 0 -60.2 -45.9 176.2 47.0 110.7 23.1 193 -1.8 201 -2.4 0 0.0 0 0.0 11 53
198 A 200 VAL V H H X TS+ 0 0 -61.8 -43.0 -179.9 51.9 111.2 24.6 194 -2.0 202 -2.4 0 0.0 0 0.0 9 69
199 A 201 ALA A H H X TS+ 0 0 -61.3 -45.7 179.7 47.3 111.1 21.2 195 -2.5 203 -2.1 0 0.0 0 0.0 9 47
200 A 202 THR T H H X TS+ 0 0 -59.6 -46.1 177.5 48.7 113.0 26.0 196 -2.7 204 -1.6 0 0.0 0 0.0 9 41
201 A 203 ILE I H H X TS+ 0 0 -61.5 -41.1 179.7 51.0 110.1 29.4 197 -2.4 205 -1.6 0 0.0 0 0.0 12 53
202 A 204 LEU L H H X TS+ 0 0 -66.9 -36.9 175.5 55.7 105.7 27.3 198 -2.4 206 -1.4 0 0.0 0 0.0 13 47
203 A 205 GLN Q H H < TS+ 0 0 -58.3 -44.7 178.2 49.4 108.2 19.9 199 -2.1 0 0.0 0 0.0 0 0.0 9 32
204 A 206 LYS K H H < TS+ 0 0 -65.1 -29.5 175.6 56.3 105.1 33.0 200 -1.6 0 0.0 0 0.0 0 0.0 10 31
205 A 207 ALA A H H < TS- 0 0 -73.4 -23.6 172.3 -112.5 120.7 39.8 201 -1.6 0 0.0 0 0.0 0 0.0 14 37
206 A 208 GLY G h < T - 0 0 124.8 177.1 178.3 -67.8 24.5 124.7 202 -1.4 0 0.0 0 0.0 0 0.0 9 26
207 A 209 ASN N S S S+ 0 0 -73.0 -48.0 -176.1 39.6 126.9 19.8 0 0.0 0 0.0 0 0.0 0 0.0 6 22
208 A 210 ASN N S S S+ 0 0 -82.3 -8.2 179.6 112.8 91.7 56.5 0 0.0 0 0.0 0 0.0 0 0.0 4 25
209 A 211 ALA A - 0 0 -62.6 139.0 175.2 -178.0 45.4 110.1 0 0.0 0 0.0 0 0.0 0 0.0 10 35
210 A 212 LYS K - 0 0 -138.5 161.1 169.2 -163.4 20.4 168.8 0 0.0 0 0.0 0 0.0 0 0.0 8 44
211 A 213 ILE I - 0 0 -128.2 156.9 176.0 -135.9 23.5 153.6 0 0.0 0 0.0 0 0.0 0 0.0 10 59
212 A 214 ARG R e - 0 0 -78.9 -32.1 -176.5 -85.2 65.6 36.7 175 -2.3 260 -1.0 0 0.0 0 0.0 10 56
213 A 215 GLY G E E Aef - 176 260 163.0 -139.0 -164.0 -44.6 56.9 149.0 175 -1.6 177 -2.8 0 0.0 0 0.0 11 62
214 A 216 PHE F E E Aef - 177 261 -131.1 164.8 172.5 -138.5 26.0 151.6 260 -2.9 262 -1.8 0 0.0 0 0.0 14 77
215 A 217 SER S E E Aef + 178 262 -123.4 155.3 178.0 179.6 24.0 153.8 177 -1.3 179 -2.8 0 0.0 0 0.0 15 78
216 A 218 A SER S E E A f + 0 263 -151.5 161.2 -179.7 30.3 54.7 168.1 262 -1.3 264 -2.5 0 0.0 0 0.0 14 74
217 A 219 ASN N t > T + 0 0 69.2 12.0 -178.6 166.3 68.6 54.2 180 -2.2 220 -2.3 0 0.0 0 0.0 14 69
218 A 220 VAL V T T 3 TS- 0 0 -65.1 125.2 -175.1 -3.3 76.8 114.1 180 -0.5 0 0.0 0 0.0 0 0.0 13 77
219 A 221 SER S T T 3 TS+ 0 0 68.1 7.9 -178.8 108.6 118.2 60.1 0 0.0 0 0.0 0 0.0 0 0.0 9 68
220 A 222 ASN N t < T - 0 0 -105.0 -173.1 -169.6 -135.8 67.2 98.3 217 -2.3 0 0.0 0 0.0 0 0.0 10 65
221 A 223 TYR Y + 0 0 -131.3 9.7 -178.8 136.1 49.1 76.8 0 0.0 269 -2.5 0 0.0 0 0.0 12 71
222 A 224 ASN N - 0 0 -67.0 145.0 178.0 -112.2 57.1 106.6 0 0.0 0 0.0 0 0.0 0 0.0 12 71
223 A 225 PRO P - 0 0 -75.2 147.4 176.4 -136.0 13.3 124.0 0 0.0 241 -2.3 0 0.0 0 0.0 10 62
224 A 226 TYR Y S S S+ 0 0 -65.0 -57.3 -175.4 1.2 85.9 12.7 0 0.0 242 -2.7 0 0.0 0 0.0 9 64
225 A 227 SER S S S S+ 0 0 -143.7 121.2 177.5 149.2 73.7 166.5 0 0.0 0 0.0 0 0.0 0 0.0 8 47
226 A 228 THR T - 0 0 -152.9 147.5 178.1 -152.8 39.4 173.7 0 0.0 0 0.0 0 0.0 0 0.0 7 34
227 A 229 SER S S S S+ 0 0 -92.0 -2.8 178.4 55.9 98.6 61.4 0 0.0 0 0.0 0 0.0 0 0.0 4 22
228 A 230 ASN N S S S+ 0 0 -127.6 63.2 -179.7 174.7 73.4 119.2 0 0.0 0 0.0 0 0.0 0 0.0 4 26
229 A 231 PRO P - 0 0 -70.7 152.3 178.2 -84.8 43.0 109.4 0 0.0 0 0.0 0 0.0 0 0.0 8 36
230 A 232 PRO P g > T - 0 0 -52.9 146.4 177.4 -112.4 38.1 97.9 0 0.0 233 -2.1 0 0.0 0 0.0 9 36
231 A 233 PRO P G G > TS+ 0 0 -51.5 -33.1 179.7 68.8 112.1 38.6 0 0.0 234 -2.0 0 0.0 0 0.0 5 27
232 A 234 TYR Y G G 3 TS+ 0 0 -68.0 -11.4 175.1 66.1 88.9 50.5 0 0.0 0 0.0 0 0.0 0 0.0 7 31
233 A 235 THR T G G X TS+ 0 0 -87.8 3.1 177.4 128.8 73.3 67.2 230 -2.1 236 -2.3 0 0.0 0 0.0 11 41
234 A 236 SER S T g < TS+ 0 0 -61.6 130.6 -177.9 20.7 73.3 110.2 231 -2.0 0 0.0 0 0.0 0 0.0 7 26
235 A 237 GLY G T T 3 TS+ 0 0 91.0 -7.0 179.9 117.1 98.6 70.2 0 0.0 0 0.0 0 0.0 0 0.0 5 26
236 A 238 SER S t < T - 0 0 -98.5 137.0 174.6 -154.5 56.5 146.1 233 -2.3 0 0.0 0 0.0 0 0.0 9 37
237 A 239 PRO P S S S+ 0 0 -77.2 -5.7 -179.0 56.7 94.4 54.0 0 0.0 0 0.0 0 0.0 0 0.0 10 38
238 A 240 SER S + 0 0 -125.5 59.8 -177.0 149.9 58.7 115.9 0 0.0 0 0.0 0 0.0 0 0.0 14 49
239 A 241 PRO P S S S+ 0 0 -77.0 -4.2 169.4 27.4 71.7 60.4 0 0.0 0 0.0 0 0.0 0 0.0 14 47
240 A 242 ASP D S h > TS- 0 0 -146.4 165.2 -174.8 -108.7 88.4 153.0 0 0.0 244 -2.1 0 0.0 0 0.0 13 59
241 A 243 GLU E H H > TS+ 0 0 -69.3 -30.4 176.0 59.4 115.7 37.1 223 -2.3 245 -2.7 0 0.0 0 0.0 16 68
242 A 244 SER S H H > TS+ 0 0 -62.8 -44.1 179.8 41.4 111.4 20.0 224 -2.7 246 -1.8 0 0.0 0 0.0 11 59
243 A 245 ARG R H H > TS+ 0 0 -74.1 -29.0 176.5 55.5 112.0 30.0 0 0.0 247 -2.2 0 0.0 0 0.0 11 54
244 A 246 TYR Y H H X TS+ 0 0 -62.9 -45.4 179.7 50.5 107.3 15.7 240 -2.1 248 -2.6 0 0.0 0 0.0 14 67
245 A 247 ALA A H H X TS+ 0 0 -57.7 -46.8 177.0 47.6 111.1 26.6 241 -2.7 249 -3.0 0 0.0 0 0.0 12 66
246 A 248 THR T H H X TS+ 0 0 -62.7 -37.0 -177.1 50.2 112.1 24.2 242 -1.8 250 -2.6 0 0.0 0 0.0 10 50
247 A 249 ASN N H H X TS+ 0 0 -70.0 -45.4 176.6 41.7 115.2 23.1 243 -2.2 251 -1.8 0 0.0 0 0.0 12 53
248 A 250 ILE I H H X TS+ 0 0 -66.3 -45.6 -178.1 53.2 114.0 18.4 244 -2.6 252 -2.7 0 0.0 0 0.0 12 64
249 A 251 ALA A H H X TS+ 0 0 -59.0 -35.3 177.0 50.0 109.1 27.2 245 -3.0 253 -2.2 0 0.0 0 0.0 12 55
250 A 252 ASN N H H X TS+ 0 0 -68.5 -39.7 176.7 48.1 111.0 24.9 246 -2.6 254 -1.5 0 0.0 0 0.0 9 41
251 A 253 ALA A H H < TS+ 0 0 -65.9 -43.1 178.6 46.9 114.5 24.9 247 -1.8 0 0.0 0 0.0 0 0.0 11 40
252 A 254 MET M H H < >>TS+ 0 0 -64.4 -43.4 -178.5 57.1 106.8 30.8 248 -2.7 257 -3.0 0 0.0 255 -1.1 12 44
253 A 255 ARG R H H < >5TS+ 0 0 -55.8 -42.2 178.6 54.2 102.7 25.5 249 -2.2 256 -1.2 0 0.0 0 0.0 10 30
254 A 256 GLN Q T h < 35TS+ 0 0 -68.5 -17.4 178.1 43.7 112.4 52.9 250 -1.5 0 0.0 0 0.0 0 0.0 7 22
255 A 257 ARG R T T <5TS- 0 0 -107.2 2.5 -178.6 -116.1 118.8 76.4 252 -1.1 0 0.0 0 0.0 0 0.0 6 26
256 A 258 GLY G T T <5TS+ 0 0 65.0 36.2 -178.5 131.1 70.5 33.1 253 -1.2 0 0.0 0 0.0 0 0.0 6 27
257 A 259 LEU L t T - 0 0 -96.6 175.2 -176.5 -46.6 47.6 114.8 285 -2.1 273 -2.0 0 0.0 0 0.0 9 46
271 A 273 SER S T T 3 TS+ 0 0 -49.6 126.7 175.7 0.4 124.6 101.5 0 0.0 0 0.0 0 0.0 0 0.0 6 32
272 A 274 GLY G T T 3 TS+ 0 0 74.3 12.0 -177.7 129.2 85.3 57.3 0 0.0 0 0.0 0 0.0 0 0.0 8 29
273 A 275 ALA A S t < TS+ 0 0 -70.1 -30.9 -178.7 32.6 73.5 34.9 270 -2.0 0 0.0 0 0.0 0 0.0 10 35
274 A 276 ARG R - 0 0 -127.6 142.9 174.6 -171.8 49.9 172.2 0 0.0 0 0.0 0 0.0 0 0.0 9 33
275 A 277 SER S S S S+ 0 0 -99.3 -15.0 179.3 40.2 87.4 56.4 0 0.0 0 0.0 0 0.0 0 0.0 7 27
276 A 278 GLU E S t > TS- 0 0 -131.6 138.6 -176.5 -134.4 79.1 175.1 0 0.0 279 -1.6 0 0.0 0 0.0 6 32
277 A 279 TRP W T T 3 TS+ 0 0 -66.4 -25.4 -177.5 63.4 102.0 35.2 0 0.0 0 0.0 0 0.0 0 0.0 8 43
278 A 280 GLY G T T 3 TS+ 0 0 -79.4 -4.3 175.6 117.5 71.7 57.4 0 0.0 0 0.0 0 0.0 0 0.0 6 42
279 A 281 GLN Q t < T + 0 0 -61.9 132.5 -174.6 155.7 30.1 114.1 276 -1.6 0 0.0 0 0.0 0 0.0 8 38
280 A 282 TRP W + 0 0 -136.0 -18.1 -171.5 101.7 27.5 57.1 0 0.0 282 -0.7 0 0.0 0 0.0 7 48
281 A 283 CYS C S S S- 0 0 -90.8 115.7 176.1 -36.9 105.0 141.5 0 0.0 0 0.0 0 0.0 0 0.0 8 45
282 A 284 ASN N S S S- 0 0 42.5 56.4 -177.5 -155.5 80.0 31.0 280 -0.7 0 0.0 0 0.0 0 0.0 12 55
283 A 285 VAL V - 0 0 -65.8 136.4 -178.4 -127.0 15.5 105.1 0 0.0 0 0.0 0 0.0 0 0.0 13 56
284 A 286 ASN N S S S+ 0 0 -150.0 146.9 0.5 35.7 77.9 178.9 0 0.0 0 0.0 0 0.0 0 0.0 10 53
285 A 287 PRO P S e S+ 0 0 -74.2 144.8 176.7 143.9 84.6 63.7 0 0.0 270 -2.1 0 0.0 0 0.0 10 43
286 A 288 ALA A E E BH - 269 0 -144.4 159.8 177.6 -155.6 29.7 166.9 0 0.0 0 0.0 0 0.0 0 0.0 14 53
287 A 289 GLY G E E BH - 268 0 -131.2 160.8 168.7 -88.8 36.6 158.4 268 -2.3 268 -2.5 0 0.0 0 0.0 15 53
288 A 290 PHE F - 0 0 -58.4 134.6 -179.6 -140.3 54.2 116.5 336 -2.4 341 -2.0 0 0.0 0 0.0 14 65
289 A 291 GLY G - 0 0 -90.2 -172.0 178.5 -45.2 40.0 100.5 265 -1.1 0 0.0 0 0.0 0 0.0 10 64
290 A 292 GLN Q - 0 0 -54.3 128.2 176.2 -120.8 64.6 108.6 0 0.0 0 0.0 0 0.0 0 0.0 11 57
291 A 293 PRO P - 0 0 -66.1 164.8 -179.2 -55.6 52.9 101.7 0 0.0 0 0.0 0 0.0 0 0.0 13 58
292 A 294 PHE F S S S+ 0 0 -46.0 136.4 174.7 152.0 71.1 94.3 0 0.0 0 0.0 0 0.0 0 0.0 12 60
293 A 295 THR T B B B - 304 0 -161.6 152.5 173.8 -149.6 46.3 165.5 304 -1.6 304 -2.7 0 0.0 0 0.0 9 50
294 A 296 THR T S S S+ 0 0 -101.4 -0.6 176.3 98.4 79.6 62.4 0 0.0 296 -2.0 0 0.0 0 0.0 9 38
295 A 297 ASN N + 0 0 -82.7 74.1 -174.0 142.4 44.3 121.9 0 0.0 0 0.0 0 0.0 0 0.0 5 31
296 A 298 THR T - 0 0 -94.7 -15.7 -178.0 -137.8 54.4 55.7 294 -2.0 0 0.0 0 0.0 0 0.0 10 39
297 A 299 ASN N S S S+ 0 0 57.3 33.2 179.2 93.8 76.8 31.0 0 0.0 0 0.0 0 0.0 0 0.0 5 29
298 A 300 ASN N t > T - 0 0 -158.4 117.1 -178.0 -149.0 67.3 148.7 0 0.0 301 -2.0 0 0.0 0 0.0 7 31
299 A 301 PRO P T T 3 TS+ 0 0 -56.9 -31.7 -179.4 56.2 99.5 42.2 0 0.0 0 0.0 0 0.0 0 0.0 6 38
300 A 302 ASN N T e 3 TS+ 0 0 -82.2 -4.1 -175.5 77.5 94.9 64.9 0 0.0 261 -2.6 0 0.0 302 -0.6 10 46
301 A 303 VAL V E E Ag < T - 261 0 -117.6 104.7 175.7 -174.2 54.9 156.0 298 -2.0 0 0.0 0 0.0 0 0.0 14 56
302 A 304 ASP D E E A* - 0 0 -57.7 -42.9 -177.1 -18.7 68.0 30.0 261 -1.6 0 0.0 300 -0.6 0 0.0 13 57
303 A 305 ALA A E E Ag - 262 0 -165.3 153.1 167.4 -121.1 49.8 170.7 261 -1.3 263 -1.8 0 0.0 0 0.0 13 64
304 A 306 ILE I E E AgB + 263 293 -92.9 127.6 179.2 170.5 48.5 152.2 293 -2.7 293 -1.6 0 0.0 0 0.0 15 70
305 A 307 VAL V E E Ag - 264 0 -128.1 171.1 166.2 -119.5 37.4 144.5 263 -2.2 265 -2.3 0 0.0 0 0.0 15 73
306 A 308 TRP W + 0 0 -110.6 123.6 -179.1 156.3 39.6 174.3 0 0.0 48 -1.8 0 0.0 0 0.0 14 74
307 A 309 VAL V + 0 0 -112.7 -61.5 175.4 60.2 57.0 40.3 0 0.0 0 0.0 0 0.0 0 0.0 14 76
308 A 310 LYS K S S S- 0 0 -66.2 136.8 176.5 -123.1 88.8 121.2 0 0.0 310 -1.0 0 0.0 0 0.0 11 79
309 A 311 PRO P t > T - 0 0 -79.7 98.4 -176.1 -136.0 27.0 133.2 0 0.0 312 -2.3 0 0.0 0 0.0 10 71
310 A 312 GLY G T T 3 TS+ 0 0 -65.0 125.3 -175.5 42.5 91.1 116.9 308 -1.0 0 0.0 0 0.0 0 0.0 11 78
311 A 313 GLY G T T 3 TS+ 0 0 122.0 -24.2 172.2 105.5 86.6 98.4 0 0.0 329 -2.8 0 0.0 313 -0.5 11 68
312 A 314 GLU E B B C < TS- 328 0 -81.7 124.3 -176.1 -113.0 80.6 137.4 309 -2.3 0 0.0 0 0.0 0 0.0 11 59
313 A 315 SER S - 0 0 -61.3 148.8 172.5 -148.6 11.8 102.7 327 -3.4 326 -3.1 311 -0.5 0 0.0 15 45
314 A 316 ASP D S S S- 0 0 -81.8 -20.9 -176.0 -58.0 72.5 53.6 0 0.0 0 0.0 0 0.0 0 0.0 11 45
315 A 317 GLY G S S S- 0 0 158.1 177.1 -178.7 -57.2 73.1 146.0 0 0.0 317 -2.1 0 0.0 0 0.0 11 33
316 A 318 GLN Q S S S+ 0 0 -86.3 73.2 -171.6 76.6 106.1 120.6 0 0.0 0 0.0 0 0.0 0 0.0 10 27
317 A 319 CYS C + 0 0 -164.8 171.9 172.1 43.0 64.1 159.0 315 -2.1 319 -1.6 0 0.0 0 0.0 10 28
318 A 320 GLY G S S S+ 0 0 78.0 -45.1 -176.0 42.8 104.9 99.6 0 0.0 0 0.0 0 0.0 0 0.0 9 37
319 A 321 MET M S t > TS- 0 0 -140.7 133.5 -177.4 -98.3 94.5 173.1 317 -1.6 322 -1.7 0 0.0 0 0.0 8 37
320 A 322 GLY G T T 3 TS+ 0 0 -54.5 134.1 179.0 26.3 108.6 110.1 0 0.0 0 0.0 0 0.0 0 0.0 5 25
321 A 323 GLY G T T 3 TS+ 0 0 92.8 -0.4 179.2 158.4 82.5 67.4 0 0.0 0 0.0 0 0.0 0 0.0 6 28
322 A 324 ALA A t < T - 0 0 -64.5 125.5 174.6 -150.9 27.2 110.0 319 -1.7 0 0.0 0 0.0 0 0.0 12 31
323 A 325 PRO P - 0 0 -79.6 175.1 176.9 -65.6 37.9 100.6 0 0.0 0 0.0 0 0.0 0 0.0 11 26
324 A 326 ALA A S t > TS- 0 0 -59.6 160.5 -177.6 -63.7 76.3 102.4 0 0.0 327 -2.5 0 0.0 0 0.0 9 23
325 A 327 ALA A T T 3 TS+ 0 0 -52.4 132.2 179.6 13.8 125.0 96.9 0 0.0 0 0.0 0 0.0 0 0.0 9 33
326 A 328 GLY G T T 3 TS+ 0 0 85.6 -10.2 -179.4 124.5 95.0 76.4 313 -3.1 0 0.0 0 0.0 0 0.0 8 39
327 A 329 MET M S t < TS- 0 0 -81.0 143.4 -178.5 -98.9 72.6 122.7 324 -2.5 313 -3.4 0 0.0 0 0.0 8 34
328 A 330 TRP W B B C - 312 0 -66.6 135.2 -175.6 -167.4 32.8 113.1 0 0.0 330 -0.5 0 0.0 0 0.0 9 40
329 A 331 PHE F h > > T - 0 0 -125.7 82.3 -169.8 -176.7 5.4 144.2 311 -2.8 333 -1.8 0 0.0 332 -0.8 12 46
330 A 332 ASP D H H > 3 TS+ 0 0 -63.4 -32.1 176.3 55.8 78.3 35.3 328 -0.5 334 -2.7 0 0.0 0 0.0 9 49
331 A 333 ALA A H H > 3 TS+ 0 0 -64.4 -32.2 177.8 49.4 109.7 33.1 0 0.0 335 -2.0 0 0.0 0 0.0 6 48
332 A 334 TYR Y H H > < TS+ 0 0 -69.3 -42.6 175.8 51.4 109.0 26.2 329 -0.8 336 -2.5 0 0.0 0 0.0 10 59
333 A 335 ALA A H H X TS+ 0 0 -60.5 -39.2 174.6 51.0 109.1 25.5 329 -1.8 337 -1.7 0 0.0 0 0.0 13 62
334 A 336 GLN Q H H X TS+ 0 0 -63.2 -43.1 177.5 50.7 110.1 19.5 330 -2.7 338 -2.8 0 0.0 0 0.0 10 60
335 A 337 MET M H H X TS+ 0 0 -59.0 -45.1 -179.1 51.2 107.7 20.0 331 -2.0 339 -2.0 0 0.0 0 0.0 11 52
336 A 338 LEU L H H < TS+ 0 0 -63.2 -31.4 -177.4 49.4 112.2 29.0 332 -2.5 288 -2.4 0 0.0 0 0.0 14 63
337 A 339 THR T H H < > TS+ 0 0 -74.0 -54.3 175.7 47.9 109.2 17.6 333 -1.7 340 -1.9 0 0.0 0 0.0 12 58
338 A 340 GLN Q H H < 3 TS+ 0 0 -53.8 -32.7 -180.0 41.0 120.0 36.4 334 -2.8 0 0.0 0 0.0 0 0.0 8 48
339 A 341 ASN N T h < 3 TS+ 0 0 -100.2 15.9 -177.2 142.2 91.2 74.3 335 -2.0 0 0.0 0 0.0 0 0.0 9 45
340 A 342 ALA A t < T - 0 0 -62.6 155.6 173.4 -89.7 60.7 94.5 337 -1.9 0 0.0 0 0.0 0 0.0 10 48
341 A 343 HIS H t > T - 0 0 -54.6 144.5 -178.9 -107.5 44.5 103.1 288 -2.0 344 -1.8 0 0.0 0 0.0 9 48
342 A 344 ASP D T T 3 TS+ 0 0 -55.6 -26.0 174.8 70.2 113.4 42.4 0 0.0 0 0.0 0 0.0 0 0.0 6 30
343 A 345 GLU E T T 3 TS+ 0 0 -59.0 -31.1 -177.0 84.9 82.6 30.2 0 0.0 345 -0.6 0 0.0 0 0.0 6 37
344 A 346 ILE I t < T 0 0 -81.7 116.9 -178.4 999.9 999.9 129.8 341 -1.8 0 0.0 0 0.0 0 0.0 9 41
345 A 347 ALA A 0 0 -158.4 999.9 999.9 999.9 999.9 160.3 343 -0.6 0 0.0 0 0.0 0 0.0 8 32
1dysA.pdb
1DYS CELLULASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand TTTT EE HHHHHHHHHHHHHHHTTT HHHHHHHHHHHHH EEE SSGGGHHHHHHHHHHHHHHHTT EEEEEEE TT SGGGSS SSS Kabs/Sand
chirality -++-+------++++++++++++++++-+++++++++++++++------++-+++++++++++++++++++-+-----+--+++-+-+-++-+--+-+- chirality
bends SSSS SSSSSSSSSSSSSSSSSS SSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSSS SS S SSSS SSS bends
turns TTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTT TTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >3><3< >>3<< >>3<< >>>X<<< >>3<< >33<>>3<< 3-turns
bridge-2 ccccc bridge-2
bridge-1 aa bbb aa bbb bridge-1
sheets AA AAA AAAAAAA sheets
4-turns >>>>XXXXXXXXX<<<< >>>>XXXXXXX<<<< >>>>XXXXXXXXX<<<< 4-turns
summary tTTTTtEEe hHHHHHHHHHHHHHHHhTThHHHHHHHHHHHHHh EEE SgGGhHHHHHHHHHHHHHHHhTteEEEEEEEe tTTtgGGGgS SSS summary
sequence GNPFSGRTLLVNSDYSSKLDQTRQAFLSRGDQTNAAKVKYVQEKVGTFYWISNIFLLRDIDVAIQNARAAKARGENPIVGLVLYNLPDRDCSAGESSGEL sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand GGGTHHHHHHHHTHHHHHHHHHH TTS EEEEE TTHHHHHHH SHHHHHHHHHHHHHHHHHHHH BTTEEEEEE HHHH SGGGHHHHHHHHHH Kabs/Sand
chirality -++-+++++++++++++++++++++++---------++++++++++-++++++++++++++++++++++-++---------+++++-+++++++++++++ chirality
bends SSSS SSSSSSSSSSSSSSSSSS SS SSSSSSSSS SSSSSSSSSSSSSSSSSSSSS SS SSSS SSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >>>55<<< 5-turns
3-turns >>3<< >33< >33< >33< >33< >33< >33< >>3<< 3-turns
bridge-2 ddddd A eee bridge-2
bridge-1 ccccc A ddddd bridge-1
sheets AAAAA AAAAAA sheets
4-turns >>>>XX<<>>XXXX<<<< >>>>X<<<< >>>><>XXXXXXXX<<<< >>44<<>44>X>>XXXXXXX 4-turns
summary gGGGhHHHHHHHHhHHHHHHHHHHhTTteEEEEEeThHHHHHHHh hHHHHHHHHHHHHHHHHHHHHh BTeEEEEEEe hHHHHhgGGhHHHHHHHHHH summary
sequence KLSQNGLNRYKNEYVNPFAQKLKAASDVQFAVILEPDAIGNMVTGTSAFCRNARGPQQEAIGYAISQLQASHIHLYLDVANGGWLGWADKLEPTAQEVAT sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHH SS EEEE TT SS SS GGGTT S SSHHHHHHHHHHHHHTTT EEEEE SSEE TTS SSTT SS SSEE SBS S TT Kabs/Sand
chirality ++++--++------+++-+-+--++-++--+++++-+++-++++++++++++++-+--+----+++----+++-+-++++---++------+-++-+-++ chirality
bends SSSSS SS SS SS SS SSSSS S SSSSSSSSSSSSSSSSSS SS SSS SSSS SS SS S S S SS bends
turns TTTTTT TTTT TTTTTTT TTTTTTTTTTTTTTTTTT TTTT TTTT TTT turns
5-turns >5555< 5-turns
3-turns >33< >>3X<3< >>3<< >33< >33< >33 3-turns
bridge-2 ffff gggg bridge-2
bridge-1 eee ffff HH HH B bridge-1
sheets AAAA AAAAA BB BB sheets
4-turns XX<<<< >>>>XXXXXXX<<<< 4-turns
summary HHHHHhSS eEEEEtTTt SS SS gGGGgTtS ShHHHHHHHHHHHHHhTTt EEEEEeSSEEeTTt StTTt SS SeEE SBS StTe summary
sequence ILQKAGNNAKIRGFSSNVSNYNPYSTSNPPPYTSGSPSPDESRYATNIANAMRQRGLPTQFIIDQSRVALSGARSEWGQWCNVNPAGFGQPFTTNTNNPN sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand EEEEE S TTB SSS SSTT STTSB HHHHHHHHHT TT Kabs/Sand
chirality ---+-++--++----+++-++---++---++++++++++--++ chirality
bends S SSS SSS SSSS SSSS SSSSSSSSSS SS bends
turns T TTTT TTTT TTTT TTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns < >33< >33< >33< >33< >33<>33< 3-turns
bridge-2 B bridge-2
bridge-1 g*ggg C C bridge-1
sheets AAAAA sheets
4-turns >>>>XXX<<<< 4-turns
summary EEEEE StTTB SSS StTTt tTTtBhHHHHHHHHHhttTTt summary
sequence VDAIVWVKPGGESDGQCGMGGAPAAGMWFDAYAQMLTQNAHDEIA sequence
310 320 330 340