Secondary structure calculation program - copyright by David Keith Smith, 1989
1clh-.pdb
1CLH ISOMERASE(PEPTIDYL-PROLYL CIS-TRANS) CYCLOPHILIN (NMR, 12 STRUCTURES) (ESCHERICHIA COLI)
Sequence length - 166
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 1 ALA A 0 0 999.9 -64.0 -179.9 999.9 999.9 999.9 0 0.0 3 -0.9 0 0.0 0 0.0 3 14
2 2 LYS K - 0 0 55.4 -96.1 179.9 -62.1 999.9 110.0 0 0.0 0 0.0 0 0.0 0 0.0 3 9
3 3 GLY G S S S+ 0 0 173.1 99.1 -178.5 125.1 81.6 111.6 1 -0.9 0 0.0 0 0.0 0 0.0 5 16
4 4 ASP D - 0 0 -170.1 103.8 -179.5 -119.0 53.8 130.7 0 0.0 0 0.0 0 0.0 0 0.0 8 26
5 5 PRO P - 0 0 -48.6 136.8 179.1 -179.9 31.9 95.7 0 0.0 20 -0.8 0 0.0 0 0.0 10 38
6 6 HIS H E E AA - 165 0 -147.8 114.2 171.4 -140.7 27.5 156.2 165 -0.7 165 -1.4 0 0.0 8 -1.3 11 43
7 7 VAL V E E AA - 164 0 -71.5 96.7 179.3 -152.2 30.5 130.6 0 0.0 18 -2.8 0 0.0 0 0.0 12 60
8 8 LEU L E E AAB + 163 17 -79.1 131.1 -177.5 179.8 18.6 128.0 163 -1.3 163 -2.3 6 -1.3 0 0.0 14 51
9 9 LEU L E E AAB - 162 16 -141.4 131.4 177.2 -164.0 20.9 176.1 16 -1.0 16 -4.0 0 0.0 11 -0.6 13 55
10 10 THR T E E AAB - 161 15 -116.4 95.0 170.2 -177.1 18.2 153.3 161 -1.6 160 -2.7 0 0.0 161 -0.8 13 44
11 11 THR T E E AA - 159 0 -81.1 165.3 179.7 -87.2 50.6 115.5 14 -1.5 0 0.0 9 -0.6 0 0.0 13 52
12 12 SER S S e S+ 0 0 -39.1 -42.3 179.2 55.7 131.0 35.1 158 -1.4 0 0.0 0 0.0 0 0.0 8 40
13 13 ALA A S S S- 0 0 -54.6 -63.1 -177.6 -63.9 123.9 13.1 0 0.0 0 0.0 0 0.0 0 0.0 10 39
14 14 GLY G e - 0 0 -178.4 172.2 179.5 -60.7 58.7 167.4 0 0.0 11 -1.5 0 0.0 16 -0.8 8 32
15 15 ASN N E E AB + 10 0 -77.0 108.2 173.2 170.5 57.2 130.4 0 0.0 0 0.0 0 0.0 0 0.0 10 38
16 16 ILE I E E AB - 9 0 -103.3 -169.7 -173.4 -136.7 22.4 106.9 9 -4.0 9 -1.0 14 -0.8 0 0.0 13 52
17 17 GLU E E E AB - 8 0 -161.9 102.5 166.2 -163.8 8.5 135.2 0 0.0 129 -1.7 0 0.0 0 0.0 14 53
18 18 LEU L E E AC - 128 0 -73.4 160.7 173.9 -149.6 12.2 114.9 7 -2.8 0 0.0 0 0.0 0 0.0 13 61
19 19 GLU E E E AC - 127 0 -138.4 127.5 -168.5 -163.3 15.3 173.3 127 -0.9 127 -0.8 0 0.0 0 0.0 15 53
20 20 LEU L E E AC - 126 0 -122.0 143.6 175.2 -133.7 15.6 151.2 5 -0.8 0 0.0 0 0.0 0 0.0 11 57
21 21 ASP D e + 0 0 -55.5 -126.3 -175.1 175.0 20.5 40.5 125 -3.4 0 0.0 0 0.0 0 0.0 10 47
22 22 LYS K t > T + 0 0 145.6 -59.4 -176.2 67.9 67.4 112.4 0 0.0 25 -1.0 0 0.0 0 0.0 8 41
23 23 GLN Q T T 3 TS+ 0 0 -55.1 -57.1 -172.9 48.2 100.4 19.7 0 0.0 0 0.0 0 0.0 0 0.0 5 25
24 24 LYS K T T 3 TS+ 0 0 -69.1 -5.0 179.8 24.5 128.3 60.2 0 0.0 0 0.0 0 0.0 0 0.0 8 31
25 25 ALA A h > < T + 0 0 -161.2 70.6 176.6 161.4 63.1 111.6 22 -1.0 29 -1.9 0 0.0 0 0.0 11 35
26 26 PRO P H H > TS+ 0 0 -52.7 -54.2 -176.4 54.2 78.2 22.1 0 0.0 30 -1.9 0 0.0 0 0.0 8 28
27 27 VAL V H H > TS+ 0 0 -48.1 -65.8 -175.2 45.9 108.4 19.4 0 0.0 31 -1.7 0 0.0 0 0.0 7 34
28 28 SER S H H > TS+ 0 0 -47.2 -52.8 -177.5 56.9 108.3 27.2 0 0.0 32 -2.1 0 0.0 0 0.0 10 45
29 29 VAL V H H X TS+ 0 0 -47.4 -50.2 179.3 52.2 104.9 27.1 25 -1.9 33 -2.9 0 0.0 0 0.0 9 49
30 30 GLN Q H H X TS+ 0 0 -51.2 -52.5 -178.8 50.4 109.8 21.7 26 -1.9 34 -2.0 0 0.0 0 0.0 8 34
31 31 ASN N H H X > TS+ 0 0 -50.0 -66.0 -173.1 40.5 114.0 16.7 27 -1.7 35 -1.3 0 0.0 34 -0.7 11 39
32 32 PHE F H H X 3 TS+ 0 0 -57.1 -46.2 176.7 58.8 109.8 25.8 28 -2.1 36 -4.5 0 0.0 0 0.0 9 56
33 33 VAL V H H X 3 TS+ 0 0 -49.3 -40.2 171.9 60.2 100.0 29.5 29 -2.9 37 -4.9 0 0.0 0 0.0 8 43
34 34 ASP D H H < < TS+ 0 0 -45.8 -61.5 176.2 32.1 115.6 14.2 30 -2.0 0 0.0 31 -0.7 0 0.0 8 30
35 35 TYR Y H H < > TS+ 0 0 -58.3 -60.1 179.7 54.6 118.6 12.0 31 -1.3 38 -3.2 0 0.0 0 0.0 11 39
36 36 VAL V H H < 3 TS+ 0 0 -39.3 -52.5 -179.9 70.6 93.6 29.3 32 -4.5 0 0.0 0 0.0 0 0.0 12 44
37 37 ASN N T h < 3 TS- 0 0 -38.8 -33.6 177.8 -60.5 122.3 41.5 33 -4.9 0 0.0 0 0.0 0 0.0 6 27
38 38 SER S S t < TS+ 0 0 158.0 160.5 177.4 66.0 101.1 140.0 35 -3.2 0 0.0 0 0.0 0 0.0 8 27
39 39 GLY G S S S+ 0 0 69.0 79.4 177.0 48.9 94.4 5.0 0 0.0 0 0.0 0 0.0 0 0.0 7 30
40 40 PHE F S g > TS+ 0 0 168.8 -75.3 -174.8 43.4 102.5 112.0 0 0.0 43 -0.8 0 0.0 0 0.0 8 44
41 41 TYR Y G G > TS+ 0 0 -66.7 -31.7 -170.5 93.0 85.7 39.0 0 0.0 44 -1.7 0 0.0 0 0.0 13 51
42 42 ASN N G G 3 TS+ 0 0 -38.7 -36.2 -178.9 0.9 112.8 44.2 0 0.0 0 0.0 0 0.0 0 0.0 10 36
43 43 ASN N G G < TS+ 0 0 -156.5 47.3 161.3 106.8 102.3 96.9 40 -0.8 0 0.0 0 0.0 0 0.0 11 37
44 44 THR T g < T - 0 0 -83.6 -140.6 172.1 -155.0 52.6 76.2 41 -1.7 159 -1.2 0 0.0 0 0.0 13 45
45 45 THR T - 0 0 -163.1 -141.1 177.2 -77.1 26.5 137.9 0 0.0 58 -0.8 0 0.0 0 0.0 16 54
46 46 PHE F - 0 0 -146.1 92.3 -176.7 -145.5 31.8 140.9 0 0.0 0 0.0 0 0.0 0 0.0 13 68
47 47 HIS H - 0 0 -23.3 -67.6 169.1 -84.9 59.5 40.3 0 0.0 0 0.0 0 0.0 0 0.0 17 56
48 48 ARG R e - 0 0 -172.3 -142.9 -175.7 -108.3 41.4 147.4 0 0.0 56 -1.7 0 0.0 0 0.0 11 57
49 49 VAL V E E BD - 55 0 -172.1 135.2 159.7 -113.2 20.7 149.4 0 0.0 0 0.0 0 0.0 0 0.0 11 54
50 50 ILE I E E >BD > T - 54 0 -62.5 129.7 179.4 -90.6 63.7 126.0 54 -1.6 54 -1.8 0 0.0 53 -1.1 9 37
51 51 PRO P T T 4 3 TS- 0 0 -45.2 153.0 -179.0 -16.5 94.3 88.1 0 0.0 0 0.0 0 0.0 0 0.0 8 37
52 52 GLY G T T 4 3 TS+ 0 0 7.3 60.2 -177.9 70.3 130.6 54.5 0 0.0 0 0.0 0 0.0 0 0.0 8 32
53 53 PHE F T T 4 < TS- 0 0 -152.7 -54.6 -169.9 -9.5 102.4 69.4 50 -1.1 108 -1.7 0 0.0 107 -1.4 10 36
54 54 MET M E E T - 0 0 -59.5 116.8 177.3 -44.8 69.2 113.4 65 -0.8 64 -1.1 0 0.0 0 0.0 11 38
62 62 GLU E T T 3 TS+ 0 0 65.0 -118.9 -178.8 23.3 142.2 116.5 0 0.0 0 0.0 0 0.0 0 0.0 13 35
63 63 GLN Q T T 3 TS- 0 0 -41.7 -58.2 178.2 -87.6 126.4 24.6 0 0.0 0 0.0 0 0.0 0 0.0 7 33
64 64 MET M S t < TS+ 0 0 138.6 94.6 -179.3 140.9 71.9 77.3 61 -1.1 0 0.0 0 0.0 0 0.0 8 39
65 65 GLN Q - 0 0 -159.2 105.8 -174.7 -98.7 57.4 142.2 0 0.0 61 -0.8 0 0.0 0 0.0 7 29
66 66 GLN Q - 0 0 -29.3 133.4 168.3 -147.6 22.1 78.4 0 0.0 0 0.0 0 0.0 0 0.0 8 29
67 67 LYS K - 0 0 -57.4 -97.7 166.0 -79.0 58.3 24.1 0 0.0 0 0.0 0 0.0 0 0.0 7 29
68 68 LYS K S S S+ 0 0 -167.8 66.9 -174.8 162.9 71.9 100.8 0 0.0 0 0.0 0 0.0 0 0.0 4 24
69 69 PRO P + 0 0 -69.2 -160.9 170.3 114.9 21.7 70.7 0 0.0 0 0.0 0 0.0 0 0.0 7 33
70 70 ASN N + 0 0 102.4 38.0 171.9 144.9 18.7 39.8 0 0.0 0 0.0 0 0.0 0 0.0 8 30
71 71 PRO P - 0 0 -95.3 80.2 -163.3 -145.3 48.3 136.2 0 0.0 0 0.0 0 0.0 0 0.0 7 32
72 72 PRO P + 0 0 -67.0 110.6 175.4 171.0 28.4 108.4 0 0.0 0 0.0 0 0.0 0 0.0 8 30
73 73 ILE I - 0 0 -79.3 -123.6 -179.0 -116.8 27.6 51.3 98 -1.2 0 0.0 0 0.0 0 0.0 11 36
74 74 LYS K + 0 0 -156.7 -151.7 -176.5 14.4 60.4 133.0 0 0.0 0 0.0 0 0.0 0 0.0 8 37
75 75 ASN N + 0 0 -39.7 145.4 -173.7 160.9 55.6 85.6 0 0.0 0 0.0 0 0.0 0 0.0 7 41
76 76 GLU E + 0 0 -131.3 -92.7 -172.7 44.2 58.7 64.2 0 0.0 0 0.0 0 0.0 0 0.0 13 52
77 77 ALA A S S S+ 0 0 -38.1 -37.1 -174.6 78.6 97.6 42.7 0 0.0 79 -1.9 0 0.0 0 0.0 14 52
78 78 ASP D S S S+ 0 0 -68.8 33.9 -175.9 52.0 94.7 88.5 0 0.0 0 0.0 0 0.0 0 0.0 7 42
79 79 ASN N S S S+ 0 0 -172.7 82.9 -178.8 82.7 77.3 117.5 77 -1.9 0 0.0 0 0.0 0 0.0 10 41
80 80 GLY G - 0 0 -169.0 0.3 178.3 -152.6 65.8 72.0 0 0.0 0 0.0 0 0.0 0 0.0 10 46
81 81 LEU L - 0 0 31.1 172.8 -173.0 -37.8 43.2 62.5 0 0.0 0 0.0 0 0.0 0 0.0 4 35
82 82 ARG R S S S+ 0 0 -60.0 158.1 170.7 117.1 74.6 93.3 0 0.0 0 0.0 0 0.0 0 0.0 6 32
83 83 ASN N - 0 0 175.2 -146.7 -167.6 -116.2 40.5 157.4 0 0.0 0 0.0 0 0.0 0 0.0 7 34
84 84 THR T t > T - 0 0 -170.3 163.0 176.8 -30.6 57.5 170.0 0 0.0 87 -1.4 0 0.0 0 0.0 10 35
85 85 ARG R T T 3 TS+ 0 0 -34.1 100.4 -169.9 61.6 119.1 90.1 0 0.0 0 0.0 0 0.0 0 0.0 12 44
86 86 GLY G T T 3 TS+ 0 0 156.6 -29.9 -179.5 104.0 80.6 90.2 0 0.0 0 0.0 0 0.0 0 0.0 13 46
87 87 THR T e < T - 0 0 -81.7 144.7 165.6 -143.4 57.8 123.7 84 -1.4 106 -1.7 0 0.0 0 0.0 15 56
88 88 ILE I E E CE - 105 0 -95.1 159.8 -178.6 -177.8 21.7 131.2 0 0.0 125 -1.8 0 0.0 126 -1.8 16 67
89 89 ALA A E E CE - 104 0 -161.6 144.3 -179.9 -106.9 26.8 165.8 104 -1.5 104 -1.7 0 0.0 0 0.0 14 65
90 90 MET M E E CE - 103 0 -75.5 144.1 177.7 -139.2 24.5 116.8 0 0.0 123 -3.5 0 0.0 0 0.0 14 66
91 91 ALA A e - 0 0 -65.7 -118.2 176.7 -151.5 25.6 39.3 102 -1.5 123 -1.3 0 0.0 0 0.0 11 55
92 92 ARG R - 0 0 179.5 -132.8 179.8 -111.5 4.8 143.7 0 0.0 0 0.0 0 0.0 0 0.0 11 42
93 93 THR T - 0 0 171.5 152.2 -179.2 -95.3 31.7 145.8 0 0.0 0 0.0 0 0.0 0 0.0 9 32
94 94 ALA A S S S+ 0 0 -41.3 -61.7 -178.3 52.9 118.9 25.3 0 0.0 0 0.0 0 0.0 0 0.0 4 22
95 95 ASP D S S S- 0 0 -40.0 -71.7 -176.4 -134.6 100.7 23.6 0 0.0 0 0.0 0 0.0 0 0.0 5 20
96 96 LYS K S S S+ 0 0 149.1 -94.6 175.2 65.4 80.9 138.6 0 0.0 98 -0.8 0 0.0 0 0.0 7 26
97 97 ASP D S S S+ 0 0 -62.6 104.9 179.7 74.7 87.1 120.8 0 0.0 0 0.0 0 0.0 0 0.0 11 32
98 98 SER S + 0 0 -169.5 -102.2 -173.2 157.9 29.0 108.8 96 -0.8 73 -1.2 0 0.0 0 0.0 13 37
99 99 ALA A + 0 0 43.8 76.4 -171.8 177.9 25.9 13.6 0 0.0 0 0.0 0 0.0 0 0.0 14 50
100 100 THR T - 0 0 -78.3 -43.5 -179.5 -17.4 63.6 27.5 0 0.0 0 0.0 0 0.0 0 0.0 10 47
101 101 SER S S S S+ 0 0 -170.8 98.3 178.9 93.4 97.5 124.8 0 0.0 0 0.0 0 0.0 0 0.0 12 55
102 102 GLN Q e + 0 0 169.5 123.8 177.1 170.6 32.1 124.0 0 0.0 91 -1.5 0 0.0 0 0.0 10 64
103 103 PHE F E E CE - 90 0 -135.1 175.2 -172.7 -145.3 15.8 143.4 57 -1.4 0 0.0 0 0.0 0 0.0 11 64
104 104 PHE F E E CE - 89 0 -154.2 136.4 -175.0 -129.5 12.8 173.0 89 -1.7 89 -1.5 0 0.0 106 -0.6 13 68
105 105 ILE I E E CE - 88 0 -95.5 115.1 173.7 -162.6 23.5 142.9 56 -5.8 55 -2.7 0 0.0 0 0.0 14 65
106 106 ASN N B e A + 54 0 -74.1 -172.6 175.0 177.6 15.0 91.0 87 -1.7 0 0.0 104 -0.6 0 0.0 14 59
107 107 VAL V + 0 0 -157.8 -44.6 -175.5 70.8 55.0 74.2 53 -1.4 0 0.0 0 0.0 0 0.0 12 48
108 108 ALA A S S S- 0 0 -91.9 152.4 177.0 -79.6 98.0 123.7 53 -1.7 0 0.0 0 0.0 0 0.0 10 33
109 109 ASP D + 0 0 -49.6 106.8 -177.7 159.2 64.7 107.1 0 0.0 0 0.0 0 0.0 0 0.0 6 27
110 110 ASN N + 0 0 -99.3 -100.6 -178.1 134.6 21.8 42.8 0 0.0 112 -1.7 0 0.0 0 0.0 8 35
111 111 ALA A t > T + 0 0 75.3 -43.9 -176.2 99.2 55.2 99.0 0 0.0 114 -3.6 0 0.0 0 0.0 8 36
112 112 PHE F T T 3 TS+ 0 0 -39.3 -50.7 -179.6 53.4 79.1 32.0 110 -1.7 0 0.0 0 0.0 0 0.0 4 30
113 113 LEU L T T 3 TS+ 0 0 -58.4 -24.3 -176.4 133.0 77.6 44.2 0 0.0 0 0.0 0 0.0 0 0.0 8 39
114 114 ASP D S t < TS- 0 0 -39.2 101.6 175.4 -110.7 73.1 92.7 111 -3.6 0 0.0 0 0.0 0 0.0 7 34
115 115 HIS H S S S+ 0 0 -38.7 105.4 -179.6 116.3 79.8 97.5 0 0.0 0 0.0 0 0.0 0 0.0 9 29
116 116 GLY G + 0 0 -179.5 66.2 -178.2 33.6 62.2 99.0 0 0.0 0 0.0 0 0.0 0 0.0 6 20
117 117 GLN Q S S S- 0 0 163.5 178.2 175.4 -38.2 110.6 157.9 0 0.0 119 -3.7 0 0.0 0 0.0 5 13
118 118 ARG R S S S+ 0 0 -62.7 69.1 -177.2 67.7 115.4 110.2 0 0.0 0 0.0 0 0.0 0 0.0 4 12
119 119 ASP D + 0 0 179.0 164.1 -175.5 172.8 47.6 162.5 117 -3.7 0 0.0 0 0.0 0 0.0 6 23
120 120 PHE F + 0 0 170.8 119.0 -174.2 112.4 31.7 126.6 0 0.0 0 0.0 0 0.0 0 0.0 9 31
121 121 GLY G + 0 0 -156.2 -77.2 -167.1 73.9 49.2 77.7 0 0.0 0 0.0 0 0.0 0 0.0 11 38
122 122 TYR Y - 0 0 -77.2 120.5 176.2 -155.4 59.7 119.6 0 0.0 0 0.0 0 0.0 0 0.0 11 50
123 123 ALA A - 0 0 -70.6 -161.3 -174.9 -160.7 7.1 74.6 90 -3.5 0 0.0 91 -1.3 0 0.0 13 60
124 124 VAL V + 0 0 177.6 141.5 172.0 145.5 30.7 142.8 0 0.0 0 0.0 0 0.0 0 0.0 12 62
125 125 PHE F e + 0 0 -174.3 25.9 -179.0 32.0 64.0 74.1 88 -1.8 21 -3.4 0 0.0 0 0.0 15 61
126 126 GLY G E E AC - 20 0 -156.5 -149.2 -170.3 -157.0 48.4 130.0 88 -1.8 0 0.0 0 0.0 0 0.0 11 60
127 127 LYS K E E AC - 19 0 -179.4 -155.0 -175.9 -89.5 30.9 148.9 19 -0.8 19 -0.9 0 0.0 0 0.0 12 53
128 128 VAL V E E AC + 18 0 -160.0 117.2 -177.7 175.7 27.3 151.4 0 0.0 0 0.0 0 0.0 0 0.0 13 48
129 129 VAL V e - 0 0 -84.5 -75.3 -167.5 -7.6 68.3 16.1 17 -1.7 0 0.0 0 0.0 0 0.0 9 40
130 130 LYS K S S S+ 0 0 -96.2 -94.7 -165.4 51.9 113.6 28.1 0 0.0 132 -5.1 0 0.0 0 0.0 7 36
131 131 GLY G h > T + 0 0 -60.6 51.8 171.3 130.7 59.9 93.8 0 0.0 135 -1.6 0 0.0 0 0.0 11 35
132 132 MET M H H > TS+ 0 0 -60.7 -48.7 176.8 58.1 72.9 19.9 130 -5.1 136 -2.7 0 0.0 0 0.0 11 45
133 133 ASP D H H > TS+ 0 0 -43.6 -58.0 176.8 55.6 100.5 22.4 0 0.0 137 -2.9 0 0.0 0 0.0 7 36
134 134 VAL V H H > TS+ 0 0 -39.6 -59.1 175.8 48.3 108.0 23.5 0 0.0 138 -3.2 0 0.0 0 0.0 11 41
135 135 ALA A H H X TS+ 0 0 -46.1 -52.2 178.9 49.2 113.5 22.9 131 -1.6 139 -3.8 0 0.0 0 0.0 11 57
136 136 ASP D H H < TS+ 0 0 -50.8 -69.3 -179.7 48.3 109.3 12.3 132 -2.7 0 0.0 0 0.0 0 0.0 9 44
137 137 LYS K H H X > TS+ 0 0 -41.3 -45.9 172.9 49.2 114.1 31.1 133 -2.9 141 -1.6 0 0.0 140 -1.5 9 37
138 138 ILE I H H < 3 TS+ 0 0 -53.8 -59.2 177.6 48.8 110.7 11.4 134 -3.2 0 0.0 0 0.0 0 0.0 9 49
139 139 SER S T h < 3 TS+ 0 0 -64.6 9.3 177.2 63.6 106.4 71.3 135 -3.8 0 0.0 0 0.0 0 0.0 13 45
140 140 GLN Q T T 4 < TS+ 0 0 -96.1 -52.7 179.9 91.4 76.6 32.3 137 -1.5 0 0.0 0 0.0 0 0.0 7 35
141 141 VAL V S t < TS- 0 0 -49.6 123.7 176.9 -109.0 86.7 103.2 137 -1.6 0 0.0 0 0.0 0 0.0 7 32
142 142 PRO P + 0 0 -41.3 178.4 -179.1 165.9 44.4 71.8 0 0.0 0 0.0 0 0.0 0 0.0 8 28
143 143 THR T - 0 0 -161.3 -142.2 173.7 -115.9 22.7 132.0 0 0.0 0 0.0 0 0.0 0 0.0 9 29
144 144 HIS H B B B - 152 0 179.3 145.4 167.7 -95.8 29.5 143.9 152 -1.0 152 -0.9 0 0.0 0 0.0 9 27
145 145 ASP D - 0 0 -63.4 121.7 -168.3 -162.6 40.1 124.8 0 0.0 0 0.0 0 0.0 0 0.0 8 22
146 146 VAL V - 0 0 -78.1 -65.1 179.4 -99.3 36.4 9.4 149 -1.1 0 0.0 0 0.0 0 0.0 8 23
147 147 GLY G S S S+ 0 0 178.6 -81.8 172.5 19.3 105.3 110.7 0 0.0 0 0.0 0 0.0 0 0.0 5 16
148 148 PRO P S S S+ 0 0 -66.4 -73.5 179.0 48.3 126.8 7.4 0 0.0 150 -1.0 0 0.0 0 0.0 4 16
149 149 TYR Y S S S- 0 0 -77.0 102.7 171.2 -149.0 84.1 129.7 0 0.0 146 -1.1 0 0.0 0 0.0 7 31
150 150 GLN Q S S S+ 0 0 -67.7 135.6 -180.0 38.3 71.4 121.5 148 -1.0 0 0.0 0 0.0 0 0.0 8 26
151 151 ASN N + 0 0 83.0 96.5 175.0 155.6 66.6 30.0 0 0.0 0 0.0 0 0.0 0 0.0 12 37
152 152 VAL V B B B - 144 0 -154.1 127.0 -179.7 -112.3 48.2 158.4 144 -0.9 144 -1.0 0 0.0 154 -0.7 13 41
153 153 PRO P - 0 0 -61.4 102.7 178.4 -154.4 22.1 116.7 0 0.0 0 0.0 0 0.0 0 0.0 12 46
154 154 SER S S S S+ 0 0 -42.3 -58.6 171.5 49.4 98.0 21.8 152 -0.7 0 0.0 0 0.0 0 0.0 7 28
155 155 LYS K S S S- 0 0 -82.3 88.5 -166.9 -135.8 110.4 135.9 0 0.0 0 0.0 0 0.0 0 0.0 6 29
156 156 PRO P - 0 0 -61.6 141.4 168.4 -126.8 5.5 96.6 0 0.0 0 0.0 0 0.0 0 0.0 10 43
157 157 VAL V - 0 0 -69.5 161.6 173.4 -155.4 18.8 109.4 0 0.0 0 0.0 0 0.0 0 0.0 13 48
158 158 VAL V e - 0 0 -147.4 119.0 -178.7 -129.3 14.0 156.6 0 0.0 12 -1.4 0 0.0 0 0.0 11 45
159 159 ILE I E E AA - 11 0 -69.3 143.5 -179.1 -166.8 13.6 110.7 44 -1.2 0 0.0 0 0.0 0 0.0 14 47
160 160 LEU L E E A* - 0 0 -95.4 -45.1 -174.2 -26.8 61.0 34.1 10 -2.7 0 0.0 0 0.0 0 0.0 10 36
161 161 SER S E E AA - 10 0 -169.1 165.8 179.1 -146.7 36.7 172.1 10 -0.8 10 -1.6 0 0.0 0 0.0 11 37
162 162 ALA A E E AA + 9 0 -149.9 109.3 -176.7 169.9 23.5 152.0 0 0.0 0 0.0 0 0.0 0 0.0 11 46
163 163 LYS K E E AA - 8 0 -131.2 111.5 177.1 -145.8 22.0 164.4 8 -2.3 8 -1.3 0 0.0 0 0.0 8 36
164 164 VAL V E E AA - 7 0 -76.5 135.0 174.6 -140.6 12.7 125.4 0 0.0 0 0.0 0 0.0 0 0.0 9 41
165 165 LEU L E E AA 6 0 -97.4 134.4 177.3 999.9 999.9 145.6 6 -1.4 6 -0.7 0 0.0 0 0.0 8 32
166 166 PRO P 0 0 -41.4 999.9 999.9 999.9 999.9 25.9 0 0.0 0 0.0 0 0.0 0 0.0 6 22
1clh-.pdb
1CLH ISOMERASE(PEPTIDYL-PROLYL CIS-TRANS) CYCLOPHILIN (NMR, 12 STRUCTURES) (ESCHERICHIA COLI)
author author
Kabs/Sand S EEEEEESS EEEEEE TT HHHHHHHHHHHTSSSGGG EETTTEE S S TTS S SSS S TT EEE SSSS Kabs/Sand
chirality -+----+---+--+-----++++++++++++++++-++++++--------+---++++--+-+---+++-+-++++++--+--++-------+-++++- chirality
bends S SS SS SSSSSSSSSSSSSSSSSS SSS S S SSS S SSS S SS SSSS bends
turns TTTTTTTTTTTTTTTTT TTTTT TTTTT TTTT TTTT turns
5-turns 5-turns
3-turns >33< >33<>33< >>3<< >33< >33< >33< 3-turns
bridge-2 BBB A bridge-2
bridge-1 AAAAAA BBBCCC DD DD EEE bridge-1
sheets AAAAAA AAAAAA BB BB CCC sheets
4-turns >>>>XXXXX<<<< >444< 4-turns
summary S EEEEEEeSeEEEEEEetTThHHHHHHHHHHHhtSgGGGg eEETTTEEe S StTTt S SSS S tTTeEEEe SSSS summary
sequence AKGDPHVLLTTSAGNIELELDKQKAPVSVQNFVDYVNSGFYNNTTFHRVIPGFMIQGGGFTEQMQQKKPNPPIKNEADNGLRNTRGTIAMARTADKDSAT sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand S EEEB S TTSS SS EEE S HHHHHHHTTS B SSSS B SS EEEEEEE Kabs/Sand
chirality ++---++-+++++-++-++++--++--+-+++++++++++-+----++-++--+-------+-- chirality
bends S S SSSS SS S SSSSSSSSSS SSSS SS bends
turns TTTT TTTTTTTTTTT turns
5-turns 5-turns
3-turns >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 EEEA CCC B B A*AAAAA bridge-1
sheets CCC AAA AAAAAAA sheets
4-turns >>>>X