Secondary structure calculation program - copyright by David Keith Smith, 1989
1xypA.pdb
1XYP HYDROLASE MOLECULE: ENDO-1,4-BETA-XYLANASE II; ORGANISM_SCIENTIFIC: TRICHODERMA REESEI;
Sequence length - 190
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 PCA - 0 0 999.9 159.5 177.3 999.9 999.9 999.9 0 0.0 29 -2.6 0 0.0 0 0.0 5 31
2 A 2 THR T B B A - 28 0 -76.2 125.0 -177.5 -179.5 999.9 132.7 0 0.0 0 0.0 0 0.0 0 0.0 7 33
3 A 3 ILE I - 0 0 -130.2 164.0 176.1 -115.7 31.3 149.2 27 -1.9 0 0.0 0 0.0 0 0.0 9 34
4 A 4 GLN Q - 0 0 -85.5 166.5 -179.8 -57.5 67.5 115.6 0 0.0 0 0.0 0 0.0 0 0.0 6 31
5 A 5 PRO P S S S+ 0 0 -49.4 140.5 -179.8 101.2 87.4 96.3 0 0.0 0 0.0 0 0.0 0 0.0 8 37
6 A 6 GLY G E E AA - 17 0 166.8 -177.6 178.9 -107.5 56.2 165.5 17 -1.9 17 -2.5 0 0.0 0 0.0 8 32
7 A 7 THR T E E AA + 16 0 -135.0 164.3 179.9 111.8 45.9 156.9 0 0.0 0 0.0 0 0.0 0 0.0 8 39
8 A 8 GLY G E E AA - 15 0 164.3 -163.1 178.8 -64.1 60.9 169.4 15 -1.6 15 -2.3 0 0.0 0 0.0 7 35
9 A 9 TYR Y E E AA - 14 0 -121.1 136.1 -178.5 -175.6 40.2 166.7 0 0.0 0 0.0 0 0.0 0 0.0 8 36
10 A 10 ASN N E E AA > T - 13 0 -138.3 116.9 178.8 -23.7 67.3 164.1 13 -3.3 13 -1.8 0 0.0 0 0.0 10 35
11 A 11 ASN N T T 3 TS- 0 0 55.2 33.2 179.6 -39.3 132.2 38.0 0 0.0 0 0.0 0 0.0 0 0.0 7 26
12 A 12 GLY G T T 3 TS+ 0 0 104.4 -11.6 -177.1 93.5 122.0 79.1 0 0.0 0 0.0 0 0.0 0 0.0 7 28
13 A 13 TYR Y E E AA < TS- 10 0 -123.8 147.1 176.3 -121.4 70.7 152.0 10 -1.8 10 -3.3 0 0.0 0 0.0 11 40
14 A 14 PHE F E E AAB - 9 50 -73.0 146.8 177.0 -171.4 34.7 116.7 50 -2.0 50 -2.7 0 0.0 0 0.0 14 46
15 A 15 TYR Y E E AAB - 8 49 -138.9 155.5 177.5 -169.8 12.8 166.7 8 -2.3 8 -1.6 0 0.0 0 0.0 14 55
16 A 16 SER S E E AAB - 7 48 -147.9 126.4 178.3 -179.3 4.1 164.4 48 -2.0 48 -1.7 0 0.0 0 0.0 12 56
17 A 17 TYR Y E E AAB + 6 47 -131.4 124.7 -179.2 165.4 10.5 173.7 6 -2.5 6 -1.9 0 0.0 0 0.0 13 56
18 A 18 TRP W E E A B + 0 46 -137.6 145.1 175.4 175.6 6.5 169.7 46 -2.8 46 -2.6 0 0.0 0 0.0 9 48
19 A 19 ASN N E E A B - 0 45 -145.4 161.9 -178.4 -118.8 38.7 164.2 0 0.0 0 0.0 0 0.0 0 0.0 10 41
20 A 20 ASP D e - 0 0 -84.2 7.6 -180.0 -104.7 56.4 72.2 44 -2.0 0 0.0 0 0.0 0 0.0 7 28
21 A 21 GLY G S S S+ 0 0 88.3 -10.2 -178.5 121.5 87.8 76.4 0 0.0 0 0.0 0 0.0 0 0.0 5 26
22 A 22 HIS H - 0 0 -55.3 -40.2 -179.2 -134.7 64.3 36.0 0 0.0 0 0.0 0 0.0 0 0.0 8 26
23 A 23 GLY G + 0 0 99.9 159.9 179.8 97.2 68.7 99.2 0 0.0 0 0.0 0 0.0 0 0.0 6 29
24 A 24 GLY G e + 0 0 98.4 12.7 -179.8 107.2 63.0 53.6 0 0.0 40 -2.7 0 0.0 0 0.0 9 35
25 A 25 VAL V E E BC - 39 0 -129.4 136.2 178.5 -169.0 43.9 171.2 0 0.0 0 0.0 0 0.0 0 0.0 10 46
26 A 26 THR T E E BC - 38 0 -124.9 119.6 -179.8 -170.8 7.5 171.0 38 -2.9 38 -2.4 0 0.0 0 0.0 9 44
27 A 27 TYR Y E E BC - 37 0 -114.5 128.9 -178.7 -176.9 4.5 163.7 0 0.0 3 -1.9 0 0.0 0 0.0 13 53
28 A 28 THR T E E BCA - 36 2 -130.8 127.5 176.5 -139.9 20.9 171.3 36 -2.8 36 -2.5 0 0.0 0 0.0 10 45
29 A 29 ASN N E E BC - 35 0 -82.9 127.2 -180.0 -170.7 31.3 135.5 1 -2.6 0 0.0 0 0.0 0 0.0 11 46
30 A 30 GLY G e - 0 0 -109.0 -171.6 -179.8 -52.3 31.9 114.1 34 -2.6 0 0.0 0 0.0 0 0.0 9 38
31 A 31 PRO P S t > TS- 0 0 -61.5 144.7 179.5 -21.2 103.1 105.0 0 0.0 34 -2.1 0 0.0 0 0.0 7 30
32 A 32 GLY G T T 3 TS- 0 0 55.5 -132.0 179.8 -17.2 134.2 103.9 0 0.0 0 0.0 0 0.0 0 0.0 9 32
33 A 33 GLY G T e 3 TS+ 0 0 -93.5 25.7 -178.8 123.4 106.5 81.4 0 0.0 189 -2.0 0 0.0 0 0.0 14 44
34 A 34 GLN Q E E B D< T + 0 188 -91.9 144.4 174.8 169.7 30.5 125.8 31 -2.1 30 -2.6 0 0.0 0 0.0 12 49
35 A 35 PHE F E E BCD - 29 187 -144.2 152.1 -179.9 -155.5 14.8 164.6 187 -2.2 187 -2.3 0 0.0 0 0.0 14 60
36 A 36 SER S E E BCD - 28 186 -131.9 140.9 178.3 -171.9 6.5 172.1 28 -2.5 28 -2.8 0 0.0 0 0.0 12 54
37 A 37 VAL V E E BCD - 27 185 -135.8 130.7 177.6 -178.4 3.0 178.3 185 -2.3 185 -1.9 0 0.0 0 0.0 13 59
38 A 38 ASN N E E BCD + 26 184 -129.5 128.7 -178.8 175.4 13.3 178.4 26 -2.4 26 -2.9 0 0.0 0 0.0 11 53
39 A 39 TRP W E E BCD - 25 183 -137.6 155.2 -178.2 -174.5 18.0 165.2 183 -2.6 183 -2.6 0 0.0 0 0.0 12 47
40 A 40 SER S S e S- 0 0 -153.6 113.1 -179.1 -18.2 79.0 152.4 24 -2.7 0 0.0 0 0.0 0 0.0 9 33
41 A 41 ASN N S S S+ 0 0 53.1 51.1 -178.7 170.4 94.7 23.0 0 0.0 0 0.0 0 0.0 0 0.0 8 29
42 A 42 SER S - 0 0 -78.7 -176.8 174.0 -130.6 33.9 87.3 181 -2.4 0 0.0 0 0.0 0 0.0 15 35
43 A 43 GLY G e - 0 0 -106.6 -137.3 178.7 -45.2 61.9 90.9 0 0.0 180 -1.9 0 0.0 0 0.0 14 36
44 A 44 ASN N E E A E S+ 0 179 -101.9 129.7 179.8 159.2 70.8 147.3 0 0.0 20 -2.0 0 0.0 0 0.0 11 40
45 A 45 PHE F E E ABE - 19 178 -148.0 159.4 178.9 -162.0 25.1 171.1 178 -1.9 178 -2.0 0 0.0 0 0.0 13 51
46 A 46 VAL V E E ABE + 18 177 -145.0 129.9 179.2 162.7 19.1 170.2 18 -2.6 18 -2.8 0 0.0 0 0.0 12 69
47 A 47 GLY G E E ABE + 17 176 -152.0 141.7 179.2 115.9 11.0 171.7 176 -2.0 176 -2.7 0 0.0 0 0.0 13 67
48 A 48 GLY G E E ABE - 16 175 177.9 178.9 -179.0 -102.9 42.5 170.2 16 -1.7 16 -2.0 0 0.0 0 0.0 12 75
49 A 49 LYS K E E ABE + 15 174 -124.9 154.1 -179.9 101.2 50.6 151.9 174 -1.0 174 -2.5 0 0.0 0 0.0 15 61
50 A 50 GLY G E E ABE - 14 173 176.2 -124.2 -176.5 -35.4 62.7 138.1 14 -2.7 14 -2.0 0 0.0 0 0.0 15 59
51 A 51 TRP W E E A E - 0 172 -137.2 153.9 178.3 -133.2 34.4 158.6 172 -2.8 172 -2.4 0 0.0 0 0.0 11 47
52 A 52 GLN Q S S S+ 0 0 -148.5 104.8 -0.6 22.6 102.7 150.6 0 0.0 0 0.0 0 0.0 0 0.0 8 40
53 A 53 PRO P S S S- 0 0 -84.2 164.9 177.8 -161.1 91.0 52.4 0 0.0 0 0.0 0 0.0 0 0.0 8 34
54 A 54 GLY G - 0 0 -91.2 -174.9 179.5 -130.8 10.8 105.5 170 -2.5 0 0.0 0 0.0 0 0.0 11 46
55 A 55 THR T t > T - 0 0 -135.3 167.8 -179.5 -118.0 16.5 153.6 0 0.0 58 -0.6 0 0.0 0 0.0 7 36
56 A 56 LYS K T T 3 TS+ 0 0 -86.6 -3.7 179.9 38.5 111.0 60.7 0 0.0 0 0.0 0 0.0 0 0.0 8 43
57 A 57 ASN N T T 3 TS+ 0 0 -133.9 26.1 179.6 138.2 78.0 83.5 0 0.0 0 0.0 0 0.0 0 0.0 7 37
58 A 58 LYS K e < T - 0 0 -74.1 140.2 176.7 -145.8 43.9 117.1 55 -0.6 152 -1.7 0 0.0 60 -0.6 9 36
59 A 59 VAL V E E BF - 151 0 -105.7 115.1 -177.1 -157.6 22.2 165.7 0 0.0 0 0.0 0 0.0 0 0.0 9 34
60 A 60 ILE I E E BF - 150 0 -104.0 130.5 178.9 -160.7 7.2 149.0 150 -2.9 150 -3.1 58 -0.6 0 0.0 10 51
61 A 61 ASN N E E BFG + 149 190 -106.8 143.8 178.7 173.3 13.7 146.0 190 -2.8 190 -1.9 0 0.0 0 0.0 10 46
62 A 62 PHE F E E BFG + 148 189 -149.6 144.9 177.6 167.0 4.4 173.9 148 -2.4 148 -2.6 0 0.0 0 0.0 13 48
63 A 63 SER S E E B G + 0 188 -153.0 158.8 179.6 82.9 25.5 170.0 188 -1.5 188 -2.9 0 0.0 0 0.0 10 41
64 A 64 GLY G E E B G S- 0 187 145.0 -164.4 -179.5 -44.9 71.7 161.8 0 0.0 0 0.0 0 0.0 0 0.0 10 40
65 A 65 SER S E E B G - 0 186 -110.3 133.7 179.9 -175.7 39.4 155.2 186 -1.9 186 -2.7 0 0.0 0 0.0 9 38
66 A 66 TYR Y E E B G + 0 185 -131.5 108.6 -177.9 167.9 9.2 161.9 0 0.0 0 0.0 0 0.0 0 0.0 10 46
67 A 67 ASN N E E B G - 0 184 -125.8 79.6 179.9 -177.0 9.6 134.4 184 -3.1 184 -1.7 0 0.0 0 0.0 7 39
68 A 68 PRO P E E B G - 0 183 -77.8 143.2 178.3 -160.8 15.5 120.4 0 0.0 0 0.0 0 0.0 0 0.0 13 47
69 A 69 ASN N E E B G S- 0 182 -120.2 74.5 -178.0 -27.8 72.3 136.2 182 -2.9 182 -1.6 0 0.0 0 0.0 10 35
70 A 70 GLY G S S S+ 0 0 120.5 -150.7 -178.3 13.9 120.0 151.5 0 0.0 95 -0.9 0 0.0 72 -0.6 10 33
71 A 71 ASN N S e S+ 0 0 -71.0 113.1 -179.0 120.6 80.1 120.9 0 0.0 179 -2.4 0 0.0 0 0.0 13 39
72 A 72 SER S E E AH - 178 0 -164.9 156.5 176.4 -149.4 40.1 165.5 70 -0.6 94 -2.7 0 0.0 0 0.0 15 56
73 A 73 TYR Y E E AHI - 177 93 -134.9 152.6 175.4 -154.3 6.7 167.6 177 -2.2 177 -2.5 0 0.0 0 0.0 14 62
74 A 74 LEU L E E AHI + 176 92 -123.8 114.8 -177.3 145.9 42.0 174.3 92 -2.7 91 -2.2 0 0.0 92 -1.6 14 73
75 A 75 SER S E E AHI - 175 90 -148.1 168.3 172.3 -105.9 59.7 161.1 175 -2.5 175 -3.2 0 0.0 77 -0.6 12 73
76 A 76 VAL V E E AHI - 174 89 -92.5 124.8 -174.5 -177.2 54.8 152.8 89 -2.3 89 -2.6 0 0.0 0 0.0 12 75
77 A 77 TYR Y E E AHI + 173 88 -133.3 142.1 -178.7 126.1 13.6 168.0 173 -2.8 173 -2.7 75 -0.6 0 0.0 12 68
78 A 78 GLY G E E AHI - 172 87 -172.8 -173.8 -178.9 -108.3 38.8 166.9 87 -1.7 87 -2.7 0 0.0 0 0.0 12 64
79 A 79 TRP W E E A*I - 0 86 -136.7 158.9 177.3 -159.6 12.1 158.6 171 -1.4 170 -2.7 0 0.0 0 0.0 13 57
80 A 80 SER S E E AHI >T - 169 85 -132.6 154.0 176.3 -147.5 11.5 155.0 85 -2.2 85 -1.8 0 0.0 0 0.0 13 46
81 A 81 ARG R E E AH 5TS+ 168 0 -122.7 147.9 178.6 46.3 71.3 162.9 168 -2.5 168 -3.0 0 0.0 0 0.0 11 35
82 A 82 ASN N T T 5TS+ 0 0 48.5 68.5 0.5 33.0 129.5 20.8 0 0.0 0 0.0 0 0.0 0 0.0 7 25
83 A 83 PRO P T T 5TS- 0 0 -78.7 154.9 177.7 -138.1 107.4 68.1 0 0.0 85 -0.7 0 0.0 0 0.0 9 32
84 A 84 LEU L T e 5T + 0 0 -78.5 115.0 -179.3 163.4 38.3 135.5 0 0.0 135 -0.8 0 0.0 0 0.0 9 39
85 A 85 ILE I E E AIj T - 0 0 -78.6 117.6 -179.2 -147.5 18.0 136.8 0 0.0 100 -1.7 0 0.0 0 0.0 7 39
98 A 98 PRO P T T 3 TS+ 0 0 -59.5 -21.8 -179.5 64.6 92.0 48.7 0 0.0 0 0.0 0 0.0 0 0.0 6 49
99 A 99 SER S T T > T + 0 0 -84.5 -0.9 178.9 130.6 69.8 65.5 0 0.0 102 -2.7 0 0.0 0 0.0 8 42
100 A 100 THR T T T < TS+ 0 0 -55.3 122.8 -179.3 14.1 79.8 111.3 97 -1.7 0 0.0 0 0.0 0 0.0 6 30
101 A 101 GLY G T T 3 TS+ 0 0 92.1 -9.7 179.5 118.5 102.8 70.7 0 0.0 0 0.0 0 0.0 0 0.0 4 22
102 A 102 ALA A S t < TS- 0 0 -87.5 163.3 -179.1 -105.8 70.1 117.5 99 -2.7 104 -0.6 0 0.0 0 0.0 8 29
103 A 103 THR T E E AK - 119 0 -93.8 121.3 179.4 -129.5 28.9 143.7 119 -2.1 119 -1.2 0 0.0 0 0.0 7 28
104 A 104 LYS K E E AK + 118 0 -73.6 120.4 179.9 174.8 28.4 123.5 102 -0.6 0 0.0 0 0.0 0 0.0 8 33
105 A 105 LEU L E E A* - 0 0 -92.2 -38.7 179.9 -68.2 54.8 36.8 117 -2.7 0 0.0 0 0.0 0 0.0 9 34
106 A 106 GLY G E E AK - 117 0 177.1 -155.5 -179.3 -81.7 49.6 161.6 117 -1.0 117 -3.0 0 0.0 0 0.0 8 34
107 A 107 GLU E E E AK - 116 0 -140.2 157.5 -179.1 -168.9 25.8 161.6 0 0.0 0 0.0 0 0.0 0 0.0 8 37
108 A 108 VAL V E E AK - 115 0 -150.2 140.1 178.0 -136.8 17.1 175.3 115 -2.1 115 -3.0 0 0.0 110 -0.5 11 38
109 A 109 THR T E E AK + 114 0 -100.2 128.5 179.4 153.7 36.8 153.2 0 0.0 0 0.0 0 0.0 0 0.0 9 34
110 A 110 SER S E E AK > T - 113 0 -158.1 135.6 177.3 -6.3 56.7 164.4 113 -2.8 113 -0.9 108 -0.5 0 0.0 11 40
111 A 111 ASP D T T 3 TS- 0 0 50.2 49.0 177.3 -40.7 129.4 30.7 0 0.0 0 0.0 0 0.0 0 0.0 7 39
112 A 112 GLY G T T 3 TS+ 0 0 82.8 11.3 179.5 68.7 122.7 54.4 0 0.0 0 0.0 0 0.0 0 0.0 5 31
113 A 113 SER S E E AK < TS- 110 0 -157.8 153.9 175.2 -113.9 75.0 173.7 110 -0.9 110 -2.8 0 0.0 0 0.0 9 30
114 A 114 VAL V E E AK - 109 0 -84.9 144.9 178.5 -155.5 32.8 136.5 0 0.0 142 -2.0 0 0.0 0 0.0 11 33
115 A 115 TYR Y E E AKL - 108 141 -122.3 136.5 176.8 -135.9 9.8 167.3 108 -3.0 108 -2.1 0 0.0 0 0.0 12 48
116 A 116 ASP D E E AKL - 107 140 -93.2 134.9 -177.7 -142.0 22.7 143.7 140 -2.2 140 -2.8 0 0.0 0 0.0 14 46
117 A 117 ILE I E E AKL + 106 139 -102.6 134.0 -179.3 168.4 25.3 147.3 106 -3.0 105 -2.7 0 0.0 106 -1.0 14 48
118 A 118 TYR Y E E AKL - 104 138 -137.3 169.1 178.7 -159.3 16.3 151.9 138 -2.2 138 -2.5 0 0.0 0 0.0 13 44
119 A 119 ARG R E E AKL + 103 137 -150.4 146.6 178.5 176.3 9.3 171.9 103 -1.2 103 -2.1 0 0.0 0 0.0 12 45
120 A 120 THR T E E A L - 0 136 -149.4 151.4 179.7 -122.5 26.0 168.1 136 -1.7 136 -3.0 0 0.0 0 0.0 9 35
121 A 121 GLN Q E E A L - 0 135 -102.9 136.2 178.3 -156.7 12.8 148.2 0 0.0 123 -0.6 0 0.0 0 0.0 8 32
122 A 122 ARG R E E A L - 0 134 -109.7 117.5 -179.3 -155.6 14.1 162.2 134 -3.3 134 -2.1 0 0.0 124 -0.5 9 30
123 A 123 VAL V E E A * - 0 0 -101.2 126.5 -179.7 -15.6 69.3 151.4 121 -0.6 0 0.0 0 0.0 0 0.0 7 19
124 A 124 ASN N E E A * S+ 0 0 48.1 53.7 179.4 148.4 97.0 22.3 122 -0.5 0 0.0 0 0.0 0 0.0 7 19
125 A 125 GLN Q E E A L - 0 132 -112.6 161.7 179.6 -85.6 54.7 137.0 132 -2.7 132 -2.6 0 0.0 0 0.0 9 20
126 A 126 PRO P + 0 0 -65.7 144.3 179.1 161.2 56.5 112.6 0 0.0 0 0.0 0 0.0 0 0.0 8 25
127 A 127 SER S t > T - 0 0 -153.0 177.2 178.8 -85.2 56.6 157.7 0 0.0 130 -1.3 0 0.0 0 0.0 7 32
128 A 128 ILE I T T 3 TS+ 0 0 -64.8 -14.7 178.5 40.4 130.9 53.2 0 0.0 0 0.0 0 0.0 0 0.0 5 36
129 A 129 ILE I T T 3 TS- 0 0 -114.9 5.0 179.8 -99.5 123.1 69.8 0 0.0 0 0.0 0 0.0 0 0.0 6 26
130 A 130 GLY G S t < TS- 0 0 112.5 -166.0 179.2 -3.0 77.8 136.3 127 -1.3 0 0.0 0 0.0 0 0.0 7 19
131 A 131 THR T S S S+ 0 0 -64.2 120.7 -177.0 140.0 87.0 120.2 0 0.0 0 0.0 0 0.0 0 0.0 8 18
132 A 132 ALA A E E A L - 0 125 -155.9 173.8 178.7 -109.9 53.6 158.4 125 -2.6 125 -2.7 0 0.0 0 0.0 10 23
133 A 133 THR T E E A * + 0 0 -117.3 125.7 -176.3 143.1 49.7 167.9 0 0.0 0 0.0 0 0.0 0 0.0 9 27
134 A 134 PHE F E E A L - 0 122 -154.8 167.6 178.2 -98.2 45.6 164.6 122 -2.1 122 -3.3 0 0.0 0 0.0 10 36
135 A 135 TYR Y E E AjL - 85 121 -93.0 154.9 179.2 -146.4 23.2 129.8 84 -0.8 86 -1.8 0 0.0 0 0.0 11 47
136 A 136 GLN Q E E AjL - 86 120 -120.8 120.8 178.7 -154.8 15.6 167.6 120 -3.0 120 -1.7 0 0.0 0 0.0 12 53
137 A 137 TYR Y E E AjL - 87 119 -102.3 141.0 -178.0 -167.1 9.8 151.2 86 -2.1 88 -2.3 0 0.0 0 0.0 12 59
138 A 138 TRP W E E AjL - 88 118 -132.2 134.4 173.1 -177.2 20.2 168.3 118 -2.5 118 -2.2 0 0.0 0 0.0 13 61
139 A 139 SER S E E AjL - 89 117 -122.2 114.9 -178.9 -165.0 21.2 172.5 88 -2.2 90 -2.7 0 0.0 141 -0.6 12 63
140 A 140 VAL V E E AjL - 90 116 -111.4 116.9 -178.4 -131.7 15.0 158.3 116 -2.8 116 -2.2 0 0.0 0 0.0 12 57
141 A 141 ARG R E E A L - 0 115 -66.4 132.8 178.9 -155.6 6.7 113.1 90 -2.7 0 0.0 139 -0.6 0 0.0 13 50
142 A 142 ARG R S e S+ 0 0 -75.2 -40.4 179.5 53.6 86.6 27.7 114 -2.0 144 -0.9 0 0.0 0 0.0 8 37
143 A 143 ASN N S S S- 0 0 -99.8 99.1 -178.8 -139.7 90.1 144.8 0 0.0 0 0.0 0 0.0 0 0.0 7 31
144 A 144 HIS H + 0 0 -60.8 142.5 179.9 164.6 30.5 102.3 142 -0.9 0 0.0 0 0.0 0 0.0 8 41
145 A 145 ARG R - 0 0 -154.8 159.8 -179.5 -150.7 37.4 170.2 91 -1.8 0 0.0 0 0.0 0 0.0 7 42
146 A 146 SER S S S S+ 0 0 -114.9 -0.4 178.6 38.2 84.3 68.6 0 0.0 0 0.0 0 0.0 0 0.0 12 47
147 A 147 SER S S S S+ 0 0 -150.5 146.0 180.0 83.7 75.0 173.4 0 0.0 0 0.0 0 0.0 0 0.0 8 41
148 A 148 GLY G E E BF - 62 0 157.6 -163.3 -179.1 -66.5 66.5 168.4 62 -2.6 62 -2.4 0 0.0 0 0.0 8 35
149 A 149 SER S E E BF - 61 0 -128.8 134.9 178.6 -156.2 30.4 167.1 0 0.0 151 -0.5 0 0.0 0 0.0 9 40
150 A 150 VAL V E E BF - 60 0 -114.4 118.0 178.3 -155.4 5.4 165.1 60 -3.1 60 -2.9 0 0.0 152 -1.2 9 57
151 A 151 ASN N E E >BF > T - 59 0 -91.3 92.8 -178.1 -167.6 9.8 142.1 149 -0.5 154 -1.3 0 0.0 155 -0.8 12 44
152 A 152 THR T H H > 3 TS+ 0 0 -54.9 -28.6 179.6 69.1 78.4 39.5 58 -1.7 156 -2.6 150 -1.2 0 0.0 11 56
153 A 153 ALA A H H > 3 TS+ 0 0 -59.0 -39.5 -179.6 57.2 93.4 27.2 0 0.0 157 -2.9 0 0.0 0 0.0 10 38
154 A 154 ASN N H H > < TS+ 0 0 -60.2 -37.4 179.8 42.3 111.7 27.1 151 -1.3 158 -1.8 0 0.0 0 0.0 10 44
155 A 155 HIS H H H X TS+ 0 0 -76.7 -42.8 180.0 48.2 114.3 24.4 151 -0.8 159 -2.7 0 0.0 0 0.0 12 58
156 A 156 PHE F H H X TS+ 0 0 -65.8 -37.7 179.4 48.5 114.0 24.4 152 -2.6 160 -2.0 0 0.0 0 0.0 10 56
157 A 157 ASN N H H X TS+ 0 0 -67.6 -40.9 178.5 48.7 111.8 24.3 153 -2.9 161 -1.9 0 0.0 0 0.0 8 36
158 A 158 ALA A H H X TS+ 0 0 -64.9 -42.0 179.3 49.3 111.8 23.9 154 -1.8 162 -0.9 0 0.0 0 0.0 9 40
159 A 159 TRP W H H < >TS+ 0 0 -65.4 -34.2 179.6 54.9 108.3 31.5 155 -2.7 164 -2.7 0 0.0 0 0.0 11 47
160 A 160 ALA A H H < >5TS+ 0 0 -66.5 -38.6 178.6 54.3 103.0 28.5 156 -2.0 163 -1.8 0 0.0 0 0.0 10 33
161 A 161 GLN Q H H < 35TS+ 0 0 -66.6 -22.2 179.3 53.5 107.3 41.2 157 -1.9 0 0.0 0 0.0 0 0.0 7 25
162 A 162 GLN Q T h < 35TS- 0 0 -95.6 11.8 178.8 -88.9 134.0 76.9 158 -0.9 0 0.0 0 0.0 0 0.0 8 29
163 A 163 GLY G T T <5TS+ 0 0 104.0 -15.9 179.2 127.2 86.2 74.8 160 -1.8 0 0.0 0 0.0 0 0.0 6 27
164 A 164 LEU L t 5555< 5-turns
3-turns >33< >33< >33< >3>< 3-turns
bridge-2 BBBBBB A DDDDDD EEEEEEEE GGGGGGGGG IIIIIIII jjjjjj bridge-2
bridge-1 A AAAAA AAAAA CCCCC CCCCC BBBBBB FFFF HHHHHHH*HH IIIIII*II bridge-1
sheets AAAAA AAAAAAA BBBBB BBBBBB AAAAAAAA BBBBBBBBBBB AAAAAAAAAA AAAAAAAAA sheets
4-turns 4-turns
summary B SEEEEETTEEEEEEEeS eEEEEEetTeEEEEEEeS eEEEEEEEESS tTTeEEEEEEEEEEESeEEEEEEEEEETTeEEEEEEEEEeSStTTT summary
sequence -TIQPGTGYNNGYFYSYWNDGHGGVTYTNGPGGQFSVNWSNSGNFVGGKGWQPGTKNKVINFSGSYNPNGNSYLSVYGWSRNPLIEYYIVENFGTYNPST sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand TSEEEEEEEETTEEEEEEEEEEEEE TTSSEEEEEEEEEESS SSEEEEHHHHHHHHHHTT EEEEEEEEEEEES EEEEEEEEE Kabs/Sand
chirality +--+----+--+----+-+----+-+-+--+-+--------+-+-++----++++++++++-+---+----+-------+-+-+-+-- chirality
bends SS SSS S SSSS SS SS SSSSSSSSSSSS S SS bends
turns TT TTTT TTTT TTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns 3< >33< >33< >33< >33< 3-turns
bridge-2 LLLLLLLL**L L*LLLLLLLL HH**HHHHHHH GGGGGGGGG bridge-2
bridge-1 KK*KKKKK KKKKKKK jjjjjj FFFF EEEEEEEE DDDDDD bridge-1
sheets AAAAAAAA AAAAAAAAAAAAA AAAAAAAAAA BBBB AAAAAAAAAAAA BBBBBBBBB sheets
4-turns >>>>XXXX<<<< 4-turns
summary TtEEEEEEEETTEEEEEEEEEEEEE tTTtSEEEEEEEEEEeS SSEEEEHHHHHHHHHHhTt EEEEEEEEEEEEe EEEEEEEEE summary
sequence GATKLGEVTSDGSVYDIYRTQRVNQPSIIGTATFYQYWSVRRNHRSSGSVNTANHFNAWAQQGLTLGTMDYQIVAVEGYFSSGSASITVS sequence
110 120 130 140 150 160 170 180 190