Secondary structure calculation program - copyright by David Keith Smith, 1989
1l3lA.pdb
1L3L TRANSCRIPTION/DNA MOL_ID: 1; MOL_ID: 1;
Sequence length - 228
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 2 GLN Q 0 0 999.9 141.5 178.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 20
2 A 3 HIS H h > > T - 0 0 66.2 98.5 -180.0 -145.9 999.9 22.4 0 0.0 6 -1.0 0 0.0 5 -0.8 5 31
3 A 4 TRP W H H > 3 TS+ 0 0 -65.3 -19.7 178.4 70.6 95.9 45.9 0 0.0 7 -2.3 0 0.0 0 0.0 9 46
4 A 5 LEU L H H > 3 TS+ 0 0 -63.9 -38.3 179.7 48.8 99.1 23.9 0 0.0 8 -2.2 0 0.0 0 0.0 9 46
5 A 6 ASP D H H > < TS+ 0 0 -68.4 -34.9 179.1 51.3 109.5 30.8 2 -0.8 9 -2.0 0 0.0 0 0.0 9 32
6 A 7 LYS K H H X TS+ 0 0 -69.5 -37.3 178.9 50.6 109.5 26.9 2 -1.0 10 -2.7 0 0.0 0 0.0 9 36
7 A 8 LEU L H H X TS+ 0 0 -64.5 -43.5 179.5 51.5 108.9 21.1 3 -2.3 11 -2.8 0 0.0 0 0.0 13 49
8 A 9 THR T H H < TS+ 0 0 -59.8 -40.9 178.7 47.2 111.7 26.7 4 -2.2 0 0.0 0 0.0 0 0.0 12 35
9 A 10 ASP D H H X > TS+ 0 0 -65.3 -46.9 -179.5 49.2 112.7 20.0 5 -2.0 12 -1.3 0 0.0 13 -0.5 8 34
10 A 11 LEU L H H < > TS+ 0 0 -60.0 -40.9 -179.9 64.2 100.0 28.7 6 -2.7 13 -1.7 0 0.0 0 0.0 11 38
11 A 12 ALA A T h < 3 TS+ 0 0 -57.6 -18.1 180.0 52.9 102.4 45.8 7 -2.8 0 0.0 0 0.0 0 0.0 9 43
12 A 13 ALA A T T 4 < TS+ 0 0 -92.4 -17.3 -179.5 109.0 80.2 50.1 9 -1.3 0 0.0 0 0.0 0 0.0 7 31
13 A 14 ILE I t < < T - 0 0 -63.9 121.6 179.3 -149.0 60.9 115.7 10 -1.7 15 -0.6 9 -0.5 0 0.0 7 30
14 A 15 GLU E + 0 0 -98.5 125.1 -179.4 57.1 50.2 146.5 0 0.0 0 0.0 0 0.0 0 0.0 4 28
15 A 16 GLY G S S S+ 0 0 168.7 -142.0 -177.8 8.1 78.4 159.1 13 -0.6 0 0.0 0 0.0 0 0.0 6 25
16 A 17 ASP D h > > T - 0 0 -80.3 145.6 -179.9 -128.7 52.5 117.7 0 0.0 20 -1.5 0 0.0 19 -0.7 6 23
17 A 18 GLU E H H > 3 TS+ 0 0 -65.4 -27.2 179.5 58.9 108.9 37.4 0 0.0 21 -2.7 0 0.0 0 0.0 8 34
18 A 19 CYS C H H > 3 TS+ 0 0 -71.2 -26.1 178.0 52.8 104.5 35.4 0 0.0 22 -2.1 0 0.0 0 0.0 6 26
19 A 20 ILE I H H > < TS+ 0 0 -71.6 -39.3 179.6 48.4 110.0 27.2 16 -0.7 23 -2.1 0 0.0 0 0.0 8 29
20 A 21 LEU L H H X TS+ 0 0 -65.8 -48.7 -179.6 44.8 113.6 18.7 16 -1.5 24 -2.4 0 0.0 0 0.0 11 43
21 A 22 LYS K H H X TS+ 0 0 -63.0 -41.7 178.8 51.0 113.3 24.3 17 -2.7 25 -2.6 0 0.0 0 0.0 10 46
22 A 23 THR T H H X TS+ 0 0 -61.5 -39.5 179.8 50.5 110.6 26.4 18 -2.1 26 -2.2 0 0.0 0 0.0 8 36
23 A 24 GLY G H H X TS+ 0 0 -65.6 -41.7 -179.9 48.8 110.0 25.4 19 -2.1 27 -2.1 0 0.0 0 0.0 9 40
24 A 25 LEU L H H X TS+ 0 0 -64.1 -45.0 179.3 48.8 111.8 22.2 20 -2.4 28 -2.0 0 0.0 0 0.0 11 54
25 A 26 ALA A H H X TS+ 0 0 -61.5 -42.3 179.0 52.8 110.1 25.9 21 -2.6 29 -2.3 0 0.0 0 0.0 11 40
26 A 27 ASP D H H X TS+ 0 0 -59.7 -45.3 -178.9 50.6 107.7 24.4 22 -2.2 30 -3.0 0 0.0 0 0.0 8 35
27 A 28 ILE I H H X TS+ 0 0 -62.0 -43.2 179.3 49.2 109.9 25.1 23 -2.1 31 -1.3 0 0.0 0 0.0 11 42
28 A 29 ALA A H H < >>TS+ 0 0 -60.3 -49.0 -179.5 46.3 114.4 17.7 24 -2.0 33 -2.9 0 0.0 31 -0.5 13 44
29 A 30 ASP D H H < >5TS+ 0 0 -57.8 -53.7 -179.2 54.9 108.1 17.6 25 -2.3 32 -2.5 0 0.0 0 0.0 10 33
30 A 31 HIS H H H < 35TS+ 0 0 -53.8 -28.1 -179.7 47.4 110.3 41.7 26 -3.0 0 0.0 0 0.0 0 0.0 7 24
31 A 32 PHE F T h < <5TS- 0 0 -102.0 16.9 177.7 -100.7 123.1 77.9 27 -1.3 0 0.0 28 -0.5 0 0.0 7 30
32 A 33 GLY G T T <5TS+ 0 0 79.7 15.3 179.7 140.0 73.8 50.8 29 -2.5 0 0.0 0 0.0 0 0.0 7 33
33 A 34 PHE F t TS- 45 0 -130.0 79.2 -179.0 -56.8 78.1 139.5 45 -2.8 45 -1.6 0 0.0 0 0.0 7 42
43 A 44 HIS H T T 3 TS- 0 0 46.3 79.4 179.3 -30.6 116.3 18.2 0 0.0 0 0.0 0 0.0 0 0.0 6 39
44 A 45 ARG R T T 3 TS+ 0 0 70.6 -21.8 176.2 108.3 117.2 75.3 0 0.0 46 -0.7 0 0.0 0 0.0 8 37
45 A 46 HIS H E E AA < T + 42 0 -88.7 118.7 -176.7 178.5 54.5 147.6 42 -1.6 42 -2.8 0 0.0 0 0.0 8 45
46 A 47 ILE I E E AA - 41 0 -132.6 141.0 177.8 -169.6 26.4 165.1 44 -0.7 166 -2.0 0 0.0 0 0.0 11 54
47 A 48 THR T E E AAB - 40 165 -122.1 137.7 -179.6 -159.7 17.6 166.3 40 -1.7 40 -2.4 0 0.0 0 0.0 12 48
48 A 49 ALA A E E AAB - 39 164 -124.0 151.9 175.5 -169.4 22.0 154.1 164 -3.3 163 -2.8 0 0.0 164 -1.2 12 55
49 A 50 VAL V E E AA + 38 0 -132.1 103.9 -176.0 135.0 44.2 160.4 38 -2.2 38 -2.6 0 0.0 0 0.0 12 52
50 A 51 THR T E E AA - 37 0 -153.1 159.3 177.6 -145.5 57.4 170.7 0 0.0 0 0.0 0 0.0 0 0.0 10 57
51 A 52 ASN N e + 0 0 -112.2 18.2 177.4 133.2 57.0 82.4 36 -1.8 0 0.0 0 0.0 0 0.0 9 45
52 A 53 TYR Y S S S- 0 0 -61.6 154.9 -178.1 -66.1 78.3 106.8 0 0.0 0 0.0 0 0.0 0 0.0 11 48
53 A 54 HIS H h > T - 0 0 -49.3 134.6 -179.4 -128.0 43.4 97.4 0 0.0 57 -2.4 0 0.0 0 0.0 7 34
54 A 55 ARG R H H > TS+ 0 0 -52.6 -36.7 -179.6 54.0 110.2 32.1 0 0.0 58 -1.9 0 0.0 0 0.0 7 29
55 A 56 GLN Q H H > TS+ 0 0 -65.5 -44.9 179.3 47.2 108.5 22.5 0 0.0 59 -2.2 0 0.0 0 0.0 6 26
56 A 57 TRP W H H > TS+ 0 0 -64.2 -35.8 179.2 56.6 109.4 30.5 0 0.0 60 -2.6 0 0.0 0 0.0 10 40
57 A 58 GLN Q H H X TS+ 0 0 -63.0 -41.5 -180.0 44.9 108.8 25.8 53 -2.4 61 -1.2 0 0.0 0 0.0 10 42
58 A 59 SER S H H X TS+ 0 0 -67.5 -48.3 -179.6 45.7 116.1 19.9 54 -1.9 62 -2.6 0 0.0 0 0.0 9 32
59 A 60 THR T H H X TS+ 0 0 -61.8 -41.4 -178.5 61.3 105.5 28.3 55 -2.2 63 -2.6 0 0.0 0 0.0 9 34
60 A 61 TYR Y H H < >TS+ 0 0 -56.8 -40.2 179.4 31.6 115.7 29.2 56 -2.6 65 -2.6 0 0.0 66 -0.5 10 48
61 A 62 PHE F H H < 5TS+ 0 0 -87.3 -38.3 177.7 55.7 116.0 29.9 57 -1.2 0 0.0 0 0.0 0 0.0 13 40
62 A 63 ASP D H H < 5TS+ 0 0 -58.9 -37.8 -179.1 37.7 118.0 28.4 58 -2.6 0 0.0 0 0.0 0 0.0 9 28
63 A 64 LYS K T h < 5TS- 0 0 -91.3 -7.2 -179.7 -130.2 106.9 57.5 59 -2.6 0 0.0 0 0.0 0 0.0 6 29
64 A 65 LYS K T g >5T + 0 0 58.1 44.2 -179.7 169.9 40.8 24.3 0 0.0 67 -2.0 0 0.0 0 0.0 10 38
65 A 66 PHE F G G > > TS+ 0 0 -63.3 -25.7 -179.4 62.1 94.2 37.5 0 0.0 74 -2.1 0 0.0 0 0.0 7 47
71 A 72 VAL V H H > TS+ 0 0 -66.7 -41.8 179.1 42.7 106.3 25.7 0 0.0 75 -1.9 0 0.0 0 0.0 8 57
72 A 73 VAL V H H > TS+ 0 0 -69.8 -42.3 179.8 56.0 111.5 24.6 0 0.0 76 -2.8 0 0.0 0 0.0 9 52
73 A 74 LYS K H H X TS+ 0 0 -55.5 -44.8 -179.5 44.1 110.8 24.8 69 -1.9 77 -1.4 0 0.0 0 0.0 10 43
74 A 75 ARG R H H X TS+ 0 0 -68.4 -41.5 -179.9 52.9 111.8 25.5 70 -2.1 78 -2.3 0 0.0 0 0.0 8 37
75 A 76 ALA A H H < TS+ 0 0 -61.7 -40.5 179.4 48.6 109.5 27.8 71 -1.9 0 0.0 0 0.0 0 0.0 12 43
76 A 77 ARG R H H < TS+ 0 0 -67.0 -32.9 -178.2 50.0 113.6 33.6 72 -2.8 0 0.0 0 0.0 0 0.0 8 35
77 A 78 SER S H H < TS+ 0 0 -75.4 -37.7 -178.1 14.7 123.2 33.7 73 -1.4 0 0.0 0 0.0 0 0.0 6 26
78 A 79 ARG R h < T - 0 0 -147.6 127.6 179.5 -141.2 61.5 165.4 74 -2.3 80 -1.6 0 0.0 0 0.0 7 29
79 A 80 LYS K + 0 0 -87.9 80.3 -179.0 107.6 65.6 127.5 0 0.0 0 0.0 0 0.0 0 0.0 10 37
80 A 81 HIS H S S S- 0 0 -155.4 140.3 179.9 -95.9 76.1 168.3 78 -1.6 0 0.0 0 0.0 0 0.0 10 36
81 A 82 ILE I + 0 0 -55.8 147.4 179.0 167.1 52.2 101.7 0 0.0 0 0.0 0 0.0 0 0.0 11 43
82 A 83 PHE F E E BC - 114 0 -160.4 157.2 178.1 -128.7 32.3 171.0 114 -2.1 114 -3.1 0 0.0 0 0.0 7 43
83 A 84 THR T E E BC - 113 0 -108.7 149.5 179.3 -168.0 26.1 146.9 0 0.0 0 0.0 0 0.0 0 0.0 9 46
84 A 85 TRP W E E BC - 112 0 -135.5 160.8 -179.8 -176.6 10.2 157.2 112 -2.5 112 -2.0 0 0.0 0 0.0 13 49
85 A 86 SER S E E >BC T - 111 0 -160.7 123.9 179.8 -152.4 22.3 150.7 0 0.0 89 -2.5 0 0.0 0 0.0 12 45
86 A 87 GLY G H H > TS+ 0 0 -63.4 -40.6 -179.8 51.0 101.8 26.0 110 -1.9 90 -1.1 0 0.0 0 0.0 13 47
87 A 88 GLU E H H 4 TS+ 0 0 -62.5 -47.7 -179.6 43.8 113.6 21.4 131 -0.6 0 0.0 0 0.0 0 0.0 8 37
88 A 89 HIS H H H 4 TS+ 0 0 -65.7 -45.2 -179.7 46.7 115.1 23.9 0 0.0 0 0.0 0 0.0 0 0.0 9 31
89 A 90 GLU E H H X > TS+ 0 0 -71.8 -14.1 -178.5 109.6 81.8 50.4 85 -2.5 92 -1.6 0 0.0 93 -1.4 9 33
90 A 91 ARG R T h < 3 TS+ 0 0 -28.4 -56.9 -179.7 52.7 72.7 41.4 86 -1.1 0 0.0 0 0.0 0 0.0 8 28
91 A 92 PRO P T T 4 3 TS+ 0 0 -53.0 -43.3 -177.8 43.9 113.6 27.9 0 0.0 0 0.0 0 0.0 0 0.0 5 18
92 A 93 THR T T T 4 < TS+ 0 0 -76.1 -26.7 -178.0 99.4 94.2 42.6 89 -1.6 0 0.0 0 0.0 0 0.0 5 23
93 A 94 LEU L t < T - 0 0 -66.3 149.6 178.2 -128.6 68.2 103.3 89 -1.4 0 0.0 0 0.0 0 0.0 9 24
94 A 95 SER S h > T - 0 0 -83.6 -178.9 179.4 -93.2 37.5 104.5 0 0.0 98 -2.1 0 0.0 0 0.0 6 23
95 A 96 LYS K H H > TS+ 0 0 -65.3 -39.2 -179.6 47.8 127.0 27.9 0 0.0 99 -1.7 0 0.0 0 0.0 6 20
96 A 97 ASP D H H > TS+ 0 0 -71.9 -34.1 179.7 50.4 110.6 31.9 0 0.0 100 -2.4 0 0.0 0 0.0 8 26
97 A 98 GLU E H H > TS+ 0 0 -70.6 -40.7 178.9 52.7 108.3 25.4 0 0.0 101 -2.6 0 0.0 0 0.0 11 35
98 A 99 ARG R H H X TS+ 0 0 -58.5 -47.2 179.1 48.0 110.6 19.3 94 -2.1 102 -2.1 0 0.0 0 0.0 11 31
99 A 100 ALA A H H X TS+ 0 0 -55.8 -54.6 180.0 54.5 109.0 14.1 95 -1.7 103 -2.2 0 0.0 0 0.0 8 33
100 A 101 PHE F H H X TS+ 0 0 -44.1 -57.5 -179.7 46.6 109.2 24.2 96 -2.4 104 -1.5 0 0.0 0 0.0 11 43
101 A 102 TYR Y H H X TS+ 0 0 -57.6 -37.6 -179.7 57.1 107.8 31.7 97 -2.6 105 -2.0 0 0.0 0 0.0 10 49
102 A 103 ASP D H H X TS+ 0 0 -60.7 -47.4 179.4 50.2 105.4 19.9 98 -2.1 106 -1.2 0 0.0 0 0.0 9 37
103 A 104 HIS H H H < TS+ 0 0 -58.3 -37.4 -179.7 51.7 109.8 31.2 99 -2.2 0 0.0 0 0.0 0 0.0 8 39
104 A 105 ALA A H H < >>TS+ 0 0 -68.5 -38.1 179.7 62.0 99.9 29.9 100 -1.5 107 -2.0 0 0.0 109 -1.5 11 51
105 A 106 SER S H H < >5TS+ 0 0 -56.5 -34.9 179.8 68.2 91.1 31.9 101 -2.0 108 -2.3 0 0.0 0 0.0 10 39
106 A 107 ASP D T h < 35TS+ 0 0 -57.5 -21.5 -178.3 47.8 102.2 40.8 102 -1.2 0 0.0 0 0.0 0 0.0 7 30
107 A 108 PHE F T T <5TS- 0 0 -105.3 11.9 178.5 -95.9 126.9 75.6 104 -2.0 0 0.0 0 0.0 0 0.0 9 35
108 A 109 GLY G T T <5TS+ 0 0 83.6 19.7 -179.8 123.3 88.6 46.3 105 -2.3 110 -0.6 0 0.0 0 0.0 10 39
109 A 110 ILE I t T - 0 0 -122.7 -170.5 -177.5 -40.3 35.4 124.8 123 -2.6 122 -0.6 0 0.0 0 0.0 7 36
120 A 121 ALA A G G > TS+ 0 0 -57.9 145.4 177.7 8.6 114.1 96.7 0 0.0 123 -1.1 0 0.0 0 0.0 5 22
121 A 122 ASN N G G 3 TS- 0 0 54.5 45.8 177.1 -53.8 130.2 33.3 0 0.0 0 0.0 0 0.0 0 0.0 4 18
122 A 123 GLY G G G < T 0 0 73.9 8.7 -180.0 999.9 999.9 56.6 119 -0.6 0 0.0 0 0.0 0 0.0 5 19
123!A 124 PHE F g < T 0 0 -100.4 999.9 999.9 999.9 999.9 105.2 120 -1.1 119 -2.6 0 0.0 0 0.0 10 29
124!A 126 SER S 0 0 999.9 999.9 999.9 999.9 999.9 999.9 0 0.0 117 -2.6 0 0.0 0 0.0 11 56
125!A 128 PHE F 0 0 999.9 131.2 -177.8 999.9 999.9 999.9 0 0.0 115 -2.5 0 0.0 0 0.0 10 68
126!A 129 THR T B B A 37 0 -128.4 999.9 999.9 999.9 999.9 163.6 37 -2.5 37 -2.1 0 0.0 0 0.0 9 68
127!A 131 ALA A 0 0 999.9 148.7 179.6 999.9 999.9 999.9 0 0.0 34 -2.3 0 0.0 35 -1.0 14 57
128 A 132 SER S B B B - 111 0 -127.8 160.3 179.1 -136.1 999.9 152.2 111 -3.7 110 -2.8 0 0.0 111 -1.6 13 48
129 A 133 ASP D S S S+ 0 0 -86.4 -11.4 -179.0 108.6 76.4 55.8 0 0.0 0 0.0 0 0.0 0 0.0 11 37
130 A 134 LYS K S S S- 0 0 -66.5 153.2 179.6 -123.2 80.8 103.9 0 0.0 0 0.0 0 0.0 0 0.0 8 34
131 A 135 PRO P S S S- 0 0 -64.6 -31.7 -179.6 -3.0 94.4 31.3 0 0.0 87 -0.6 0 0.0 0 0.0 10 33
132 A 136 VAL V S S S- 0 0 -158.7 152.9 179.5 -102.3 79.1 170.6 0 0.0 0 0.0 0 0.0 0 0.0 12 33
133 A 137 ILE I - 0 0 -81.5 127.2 -179.9 -160.4 26.7 132.6 0 0.0 135 -0.7 0 0.0 0 0.0 12 33
134 A 138 ASP D - 0 0 -109.4 75.6 -179.4 -174.0 13.7 132.9 0 0.0 0 0.0 0 0.0 0 0.0 4 26
135 A 139 LEU L - 0 0 -77.4 121.9 178.5 -171.8 15.1 125.8 133 -0.7 0 0.0 0 0.0 0 0.0 5 28
136 A 140 ASP D S S S+ 0 0 -69.5 -62.3 179.5 31.5 81.1 9.6 0 0.0 0 0.0 0 0.0 0 0.0 4 12
137 A 141 ARG R S S S- 0 0 -99.8 136.8 179.9 -117.6 93.2 143.6 0 0.0 0 0.0 0 0.0 0 0.0 4 18
138 A 142 GLU E - 0 0 -71.5 143.3 179.6 -116.3 28.8 116.4 0 0.0 0 0.0 0 0.0 0 0.0 5 23
139 A 143 ILE I - 0 0 -85.0 127.6 -179.6 -110.4 32.2 135.5 0 0.0 0 0.0 0 0.0 0 0.0 6 32
140 A 144 ASP D h > T - 0 0 -59.5 117.4 -179.7 -153.0 21.9 113.8 0 0.0 144 -2.6 0 0.0 0 0.0 6 26
141 A 145 ALA A H H > TS+ 0 0 -60.9 -37.3 179.9 51.6 93.9 33.3 0 0.0 145 -2.1 0 0.0 0 0.0 8 32
142 A 146 VAL V H H > TS+ 0 0 -66.5 -49.5 179.5 45.6 111.4 17.5 0 0.0 146 -2.2 0 0.0 0 0.0 6 25
143 A 147 ALA A H H > TS+ 0 0 -59.8 -42.3 -179.7 54.2 111.5 23.0 0 0.0 147 -2.2 0 0.0 0 0.0 9 32
144 A 148 ALA A H H X TS+ 0 0 -58.6 -44.9 180.0 48.8 107.7 24.5 140 -2.6 148 -2.4 0 0.0 0 0.0 12 40
145 A 149 ALA A H H X TS+ 0 0 -62.2 -42.9 180.0 53.6 109.1 23.2 141 -2.1 149 -2.2 0 0.0 0 0.0 13 37
146 A 150 ALA A H H X TS+ 0 0 -57.7 -44.4 -179.7 46.4 111.1 24.1 142 -2.2 150 -1.4 0 0.0 0 0.0 8 37
147 A 151 THR T H H X TS+ 0 0 -65.1 -50.3 -179.2 46.0 113.5 18.3 143 -2.2 151 -2.3 0 0.0 0 0.0 12 44
148 A 152 ILE I H H X TS+ 0 0 -66.1 -27.0 177.7 60.3 106.3 37.5 144 -2.4 152 -3.0 0 0.0 0 0.0 14 53
149 A 153 GLY G H H X TS+ 0 0 -65.0 -38.7 179.7 42.9 110.1 24.4 145 -2.2 153 -1.6 0 0.0 0 0.0 9 43
150 A 154 GLN Q H H X TS+ 0 0 -73.4 -38.4 179.0 49.9 114.3 28.9 146 -1.4 154 -1.9 0 0.0 0 0.0 10 40
151 A 155 ILE I H H X TS+ 0 0 -66.6 -42.9 179.4 51.1 109.8 23.6 147 -2.3 155 -2.3 0 0.0 0 0.0 12 56
152 A 156 HIS H H H X TS+ 0 0 -60.7 -41.9 -179.9 49.3 110.3 24.7 148 -3.0 156 -3.3 0 0.0 0 0.0 10 54
153 A 157 ALA A H H X >TS+ 0 0 -64.9 -40.0 179.4 51.2 110.0 27.1 149 -1.6 157 -1.6 0 0.0 158 -0.7 9 40
154 A 158 ARG R H H X 5TS+ 0 0 -63.8 -40.8 -179.7 38.3 118.2 26.2 150 -1.9 158 -0.5 0 0.0 0 0.0 10 44
155 A 159 ILE I H H < >TS+ 0 0 -74.9 -50.3 -177.9 32.5 127.4 18.2 151 -2.3 160 -2.1 0 0.0 0 0.0 9 51
156 A 160 SER S H H < >5TS+ 0 0 -75.7 -52.6 -178.8 47.8 117.6 20.8 152 -3.3 159 -1.6 0 0.0 0 0.0 8 42
157 A 161 PHE F H H < 35TS+ 0 0 -62.2 -31.2 -179.9 50.1 113.8 32.7 153 -1.6 0 0.0 0 0.0 0 0.0 7 30
158 A 162 LEU L T h < 3 T - 0 0 -73.6 168.2 -179.3 -93.8 40.1 105.7 0 0.0 175 -2.8 0 0.0 0 0.0 6 29
172 A 176 PRO P H H > TS+ 0 0 -49.5 -42.9 -179.7 44.3 125.1 30.5 0 0.0 176 -2.3 0 0.0 0 0.0 6 23
173 A 177 LYS K H H > TS+ 0 0 -69.8 -49.0 179.1 49.9 112.5 19.9 0 0.0 177 -2.8 0 0.0 0 0.0 8 33
174 A 178 GLU E H H > TS+ 0 0 -53.9 -46.0 -178.9 47.4 114.3 20.6 0 0.0 178 -3.0 0 0.0 0 0.0 11 42
175 A 179 ALA A H H X TS+ 0 0 -62.8 -45.3 -179.9 50.2 110.8 23.0 171 -2.8 179 -1.9 0 0.0 0 0.0 11 42
176 A 180 THR T H H X TS+ 0 0 -59.6 -46.7 -179.5 41.9 116.1 21.0 172 -2.3 180 -1.2 0 0.0 0 0.0 8 41
177 A 181 TYR Y H H X TS+ 0 0 -68.5 -41.8 -179.6 53.0 112.4 26.3 173 -2.8 181 -1.8 0 0.0 0 0.0 11 46
178 A 182 LEU L H H X TS+ 0 0 -65.8 -30.1 178.1 60.8 101.7 35.9 174 -3.0 182 -2.1 0 0.0 0 0.0 11 51
179 A 183 ARG R H H < TS+ 0 0 -61.7 -44.4 179.2 46.7 106.1 20.4 175 -1.9 0 0.0 0 0.0 0 0.0 9 41
180 A 184 TRP W H H < >>TS+ 0 0 -63.2 -41.9 178.6 54.1 109.0 25.6 176 -1.2 185 -2.0 0 0.0 183 -1.5 10 38
181 A 185 ILE I H H < >5TS+ 0 0 -58.6 -36.8 -178.8 59.7 102.7 27.5 177 -1.8 184 -1.7 0 0.0 0 0.0 12 41
182 A 186 ALA A T h < 35TS+ 0 0 -68.7 -14.4 177.1 48.5 105.0 50.7 178 -2.1 0 0.0 0 0.0 0 0.0 8 30
183 A 187 VAL V T T <5TS- 0 0 -112.8 27.2 176.2 -94.0 127.4 88.8 180 -1.5 0 0.0 0 0.0 0 0.0 6 23
184 A 188 GLY G T T <5TS+ 0 0 80.6 10.7 179.3 148.5 71.1 56.3 181 -1.7 0 0.0 0 0.0 0 0.0 6 22
185 A 189 LYS K t T 0 0 999.9 -41.6 180.0 999.9 999.9 999.9 0 0.0 191 -2.4 0 0.0 0 0.0 6 25
188 A 193 GLU E H H > T + 0 0 -65.1 -32.4 179.5 49.4 999.9 32.6 0 0.0 192 -2.3 0 0.0 0 0.0 7 25
189 A 194 ILE I H H > TS+ 0 0 -72.2 -42.9 180.0 53.5 108.0 23.8 186 -1.8 193 -2.4 0 0.0 0 0.0 13 32
190 A 195 ALA A H H > >TS+ 0 0 -56.0 -49.3 179.5 44.7 112.6 19.7 0 0.0 195 -2.7 0 0.0 194 -0.7 12 29
191 A 196 ASP D H H < >5TS+ 0 0 -60.3 -52.3 -177.6 49.9 112.5 18.0 187 -2.4 194 -1.0 0 0.0 0 0.0 10 20
192 A 197 VAL V H H < 35TS+ 0 0 -58.7 -38.1 179.5 39.1 117.5 32.4 188 -2.3 0 0.0 0 0.0 0 0.0 7 24
193 A 198 GLU E H H < 35TS- 0 0 -90.5 -3.2 179.5 -121.4 111.1 61.5 189 -2.4 0 0.0 0 0.0 0 0.0 6 27
194 A 199 GLY G T h < <5TS+ 0 0 66.6 39.9 -179.8 117.1 70.8 28.2 191 -1.0 0 0.0 190 -0.7 0 0.0 6 18
195 A 200 VAL V t > T - 0 0 -82.1 143.1 177.7 -127.4 31.9 124.5 0 0.0 200 -1.7 0 0.0 199 -1.6 8 21
197 A 202 TYR Y H H > 3 TS+ 0 0 -50.0 -45.1 -179.5 55.2 114.1 22.4 0 0.0 201 -2.8 0 0.0 0 0.0 10 26
198 A 203 ASN N H H > 3 TS+ 0 0 -64.1 -21.6 178.3 58.1 100.3 44.3 0 0.0 202 -2.1 0 0.0 0 0.0 6 23
199 A 204 SER S H H > < TS+ 0 0 -72.5 -45.2 179.4 40.6 111.8 20.9 196 -1.6 203 -2.1 0 0.0 0 0.0 9 29
200 A 205 VAL V H H X TS+ 0 0 -66.4 -43.6 -179.4 53.1 115.5 22.5 196 -1.7 204 -2.2 0 0.0 0 0.0 12 36
201 A 206 ARG R H H X TS+ 0 0 -59.4 -47.1 -179.2 39.6 114.3 23.5 197 -2.8 205 -1.9 0 0.0 0 0.0 8 35
202 A 207 VAL V H H X TS+ 0 0 -75.4 -33.2 179.4 53.9 113.2 34.2 198 -2.1 206 -1.6 0 0.0 0 0.0 8 29
203 A 208 LYS K H H X TS+ 0 0 -66.0 -47.0 -179.4 39.5 115.6 17.2 199 -2.1 207 -1.4 0 0.0 0 0.0 10 36
204 A 209 LEU L H H < TS+ 0 0 -71.5 -37.4 180.0 52.9 113.5 29.7 200 -2.2 0 0.0 0 0.0 0 0.0 10 48
205 A 210 ARG R H H < TS+ 0 0 -68.5 -30.9 178.7 52.2 107.9 32.1 201 -1.9 0 0.0 0 0.0 0 0.0 7 33
206 A 211 GLU E H H < T 0 0 -69.7 -37.6 178.9 999.9 999.9 26.9 202 -1.6 209 -2.3 0 0.0 0 0.0 7 31
207!A 212 ALA A h < T 0 0 -66.0 999.9 999.9 999.9 999.9 23.5 203 -1.4 210 -2.5 0 0.0 0 0.0 10 41
208!A 214 LYS K 0 0 999.9 -42.3 -179.4 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 7 29
209 A 215 ARG R + 0 0 -66.4 -37.7 179.2 41.3 999.9 29.4 206 -2.3 0 0.0 0 0.0 0 0.0 5 29
210 A 216 PHE F S S S- 0 0 -83.2 -13.4 -178.5 -130.3 107.4 53.4 207 -2.5 0 0.0 0 0.0 0 0.0 7 39
211 A 217 ASP D + 0 0 59.9 54.4 178.6 142.4 56.4 17.9 0 0.0 0 0.0 0 0.0 0 0.0 5 29
212 A 218 VAL V - 0 0 -122.2 154.2 -177.2 -146.4 48.3 153.1 0 0.0 0 0.0 0 0.0 0 0.0 8 26
213 A 219 ARG R S S S+ 0 0 -94.1 -22.1 -178.4 39.8 75.5 46.5 0 0.0 0 0.0 0 0.0 0 0.0 5 21
214 A 220 SER S S h > TS- 0 0 -132.6 158.7 179.4 -121.9 73.2 156.9 0 0.0 218 -2.0 0 0.0 0 0.0 6 26
215 A 221 LYS K H H > TS+ 0 0 -62.4 -33.7 179.6 60.1 113.3 34.0 0 0.0 219 -2.7 0 0.0 0 0.0 8 40
216 A 222 ALA A H H > TS+ 0 0 -63.2 -37.3 180.0 46.5 106.8 26.5 0 0.0 220 -2.2 0 0.0 0 0.0 6 29
217 A 223 HIS H H H > TS+ 0 0 -71.3 -42.3 179.0 47.7 112.9 24.8 0 0.0 221 -2.7 0 0.0 0 0.0 9 33
218 A 224 LEU L H H X TS+ 0 0 -64.4 -39.2 179.4 50.2 112.9 25.3 214 -2.0 222 -2.5 0 0.0 0 0.0 11 44
219 A 225 THR T H H X TS+ 0 0 -63.6 -43.3 -179.3 49.4 110.9 22.4 215 -2.7 223 -2.3 0 0.0 0 0.0 11 41
220 A 226 ALA A H H X TS+ 0 0 -62.9 -48.5 179.6 42.8 114.2 22.3 216 -2.2 224 -2.7 0 0.0 0 0.0 8 34
221 A 227 LEU L H H X TS+ 0 0 -64.8 -42.1 -179.5 53.6 113.3 24.2 217 -2.7 225 -2.3 0 0.0 0 0.0 8 44
222 A 228 ALA A H H < >TS+ 0 0 -60.0 -42.7 179.7 41.2 114.0 25.2 218 -2.5 227 -3.2 0 0.0 228 -0.6 11 47
223 A 229 ILE I H H < >5TS+ 0 0 -72.4 -44.6 178.9 54.5 111.8 21.5 219 -2.3 226 -2.1 0 0.0 0 0.0 9 31
224 A 230 ARG R H H < 35TS+ 0 0 -54.9 -38.0 -178.8 46.9 111.6 28.2 220 -2.7 0 0.0 0 0.0 0 0.0 7 38
225 A 231 ARG R T h < 35TS- 0 0 -87.7 6.9 179.3 -117.7 115.0 69.4 221 -2.3 0 0.0 0 0.0 0 0.0 7 35
226 A 232 LYS K T T <5TS+ 0 0 63.1 33.2 -179.7 132.3 73.8 35.7 223 -2.1 0 0.0 0 0.0 0 0.0 6 30
227 A 233 LEU L t 5555< >5555< 5-turns
3-turns >33< >>3<< >33< >>3<< >33< >>3<< >33< 3-turns
bridge-2 A BB bridge-2
bridge-1 AAAAAA AAAAAA CCCC bridge-1
sheets AAAAAA AAAAAA BBBB sheets
4-turns >>>>XX>>>XXXXXXXX<<<< >>>>XXX<<<< >444X>>>XX<<<< >>44X<44<>>>>XXX 4-turns
summary hHHHHHHHHhTt ShHHHHHHHHHHHHHHhTtS eEEEEEETTEEEEEEeShHHHHHHHHHhgGGGghHHHHHHHHh S EEEEHHHHhTTthHHHHHH summary
sequence QHWLDKLTDLAAIEGDECILKTGLADIADHFGFTGYAYLHIQHRHITAVTNYHRQWQSTYFDKKFEALDPVVKRARSRKHIFTWSGEHERPTLSKDERAF sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHTTT SEEEE GGG B BSSSS SS HHHHHHHHHHHHHHHHHTT SEE HHHHHHHHHHTTT HHHHHHT HHHH Kabs/Sand
chirality ++++++-++++----+---+- -+------+----+++++++++++++++++------+--++---+++++++++++-+ +++++-+--++++ chirality
bends SSSSSSSS S SS SSSS SS SSSSSSSSSSSSSSSSSS S SSSSSSSSSSSSS SSSSSS SSSS bends
turns TTTTTTTTT TTTTT TTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTT TTTTTTTTTTTTTT turns
5-turns >5555< >5>55<5< >5555< >5555< 5-turns
3-turns >>3<< >>3<< >33< >>3<< >33< >33< 3-turns
bridge-2 B bridge-2
bridge-1 CCCC A B BB bridge-1
sheets BBBB AA sheets
4-turns XX<<<< >>>>XXXXXXXXXXX<<<< >>>>XXXX<<<< >>>><<<< >>>>X 4-turns
summary HHHHHhTTteEEEE gGGGg B BSSSS SS hHHHHHHHHHHHHHHHHHhTt SEEe hHHHHHHHHHHhTTt hHHHHHHhthHHHH summary
sequence YDHASDFGIRSGITIPIKTANGFSFTASDKPVIDLDREIDAVAAAATIGQIHARISFLRTTPTAEDAAWLDPKEATYLRWIAVGKTEEIADVEGVKYNSV sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHH S SSHHHHHHHHHHTT Kabs/Sand
chirality +++++ +-+-+-++++++++++-+ chirality
bends SSSSS S SSSSSSSSSSSSSS bends
turns TTTTTTT TTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns XXX<<<< >>>>XXXX<<<< 4-turns
summary HHHHHHh S ShHHHHHHHHHHhTt summary
sequence RVKLREAKRFDVRSKAHLTALAIRRKLI sequence
210 220
Messages
chain break between 123(A 124 ) and 124(A 126 )
chain break between 124(A 126 ) and 125(A 128 )
chain break between 126(A 129 ) and 127(A 131 )
chain break between 186(A 190 ) and 187(A 192 )
chain break between 207(A 212 ) and 208(A 214 )