Secondary structure calculation program - copyright by David Keith Smith, 1989
1e4cP.pdb
1E4C ALDOLASE (CLASS II) MOL_ID: 1; MOL_ID: 1;
Sequence length - 206
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 P 1 MET M 0 0 999.9 41.7 176.5 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 19
2 P 2 GLU E h > T - 0 0 -93.5 162.8 -177.7 -103.4 999.9 126.3 0 0.0 6 -2.0 0 0.0 0 0.0 5 19
3 P 3 ARG R H H > TS+ 0 0 -54.3 -46.9 -178.1 52.4 116.4 32.2 0 0.0 7 -2.5 0 0.0 0 0.0 6 31
4 P 4 ASN N H H > TS+ 0 0 -63.4 -35.5 178.2 49.9 109.6 31.8 0 0.0 8 -2.0 0 0.0 0 0.0 7 28
5 P 5 LYS K H H > TS+ 0 0 -69.3 -41.6 179.3 46.1 112.9 22.0 0 0.0 9 -1.9 0 0.0 0 0.0 8 28
6 P 6 LEU L H H X TS+ 0 0 -67.9 -37.3 178.4 54.4 109.9 29.9 2 -2.0 10 -2.4 0 0.0 0 0.0 10 39
7 P 7 ALA A H H X TS+ 0 0 -60.6 -44.5 177.1 50.0 108.2 21.9 3 -2.5 11 -2.5 0 0.0 0 0.0 11 43
8 P 8 ARG R H H X TS+ 0 0 -57.6 -45.8 179.8 49.7 110.6 26.2 4 -2.0 12 -2.4 0 0.0 0 0.0 9 36
9 P 9 GLN Q H H X TS+ 0 0 -63.6 -39.8 176.4 52.4 108.5 30.2 5 -1.9 13 -1.9 0 0.0 0 0.0 9 45
10 P 10 ILE I H H X TS+ 0 0 -61.1 -48.7 179.0 47.7 111.0 16.5 6 -2.4 14 -2.2 0 0.0 0 0.0 14 59
11 P 11 ILE I H H X TS+ 0 0 -60.3 -41.2 178.2 50.5 111.1 23.8 7 -2.5 15 -2.3 0 0.0 0 0.0 12 48
12 P 12 ASP D H H X TS+ 0 0 -65.0 -33.4 178.2 52.5 108.7 31.4 8 -2.4 16 -2.5 0 0.0 0 0.0 8 43
13 P 13 THR T H H X TS+ 0 0 -68.0 -39.7 176.2 51.0 108.2 23.4 9 -1.9 17 -2.9 0 0.0 0 0.0 12 55
14 P 14 CYS C H H X TS+ 0 0 -60.3 -48.4 179.1 47.8 111.4 25.0 10 -2.2 18 -1.8 0 0.0 0 0.0 13 59
15 P 15 LEU L H H X TS+ 0 0 -61.0 -45.8 -179.3 45.5 114.2 20.3 11 -2.3 19 -2.2 0 0.0 0 0.0 10 41
16 P 16 GLU E H H X TS+ 0 0 -65.6 -36.7 178.6 57.2 108.4 26.0 12 -2.5 20 -2.4 0 0.0 0 0.0 8 37
17 P 17 MET M H H < >TS+ 0 0 -60.9 -37.7 176.3 45.3 110.0 22.4 13 -2.9 22 -2.1 0 0.0 23 -0.9 11 51
18 P 18 THR T H H < >5TS+ 0 0 -70.9 -40.4 179.1 53.6 110.2 24.8 14 -1.8 21 -1.5 0 0.0 0 0.0 10 37
19 P 19 ARG R H H < 35TS+ 0 0 -64.2 -33.4 178.6 54.0 105.7 28.9 15 -2.2 0 0.0 0 0.0 0 0.0 7 26
20 P 20 LEU L T h < 35TS- 0 0 -78.2 -4.0 179.8 -115.2 117.2 58.2 16 -2.4 0 0.0 0 0.0 0 0.0 8 35
21 P 21 GLY G T T <5TS+ 0 0 80.0 16.7 -178.5 112.7 87.0 50.3 18 -1.5 0 0.0 0 0.0 0 0.0 8 37
22 P 22 LEU L S t T - 0 0 -128.1 138.3 178.6 -31.2 59.3 167.9 0 0.0 27 -1.6 0 0.0 0 0.0 8 37
25 P 25 GLY G T T 3 TS- 0 0 58.0 -124.1 -174.4 -30.8 116.0 104.3 0 0.0 47 -0.6 0 0.0 0 0.0 7 31
26 P 26 THR T T T 3 TS+ 0 0 -118.7 20.7 -176.7 103.8 104.1 80.1 0 0.0 44 -0.5 0 0.0 0 0.0 11 41
27 P 27 ALA A t < T + 0 0 -73.6 -35.3 -174.8 72.9 66.4 36.2 24 -1.6 0 0.0 0 0.0 0 0.0 8 45
28 P 28 GLY G + 0 0 -86.2 159.6 177.2 179.4 53.0 113.1 0 0.0 0 0.0 0 0.0 0 0.0 12 64
29 P 29 ASN N E E AA - 92 0 -155.6 148.6 -175.3 -159.4 8.2 169.3 92 -2.0 92 -2.7 0 0.0 0 0.0 13 71
30 P 30 VAL V E E AA - 91 0 -133.0 146.2 177.0 -179.8 9.3 170.1 0 0.0 41 -1.6 0 0.0 0 0.0 13 83
31 P 31 SER S E E AAB - 90 40 -141.9 162.8 171.8 -155.6 12.2 163.6 90 -2.2 90 -2.1 0 0.0 0 0.0 13 73
32 P 32 VAL V E E AAB - 89 39 -134.6 150.5 177.4 -105.2 32.6 169.3 39 -2.0 39 -2.2 0 0.0 0 0.0 14 64
33 P 33 ARG R E E A B + 0 38 -70.4 136.4 -176.6 172.5 47.6 120.4 88 -2.5 0 0.0 0 0.0 0 0.0 12 55
34 P 34 TYR Y E E A B> T - 0 37 -155.3 126.0 -177.7 -45.4 49.4 155.3 37 -2.3 37 -2.6 0 0.0 0 0.0 7 46
35 P 35 GLN Q T T 3 TS- 0 0 49.3 -128.8 -179.7 -21.5 123.2 106.5 0 0.0 0 0.0 0 0.0 0 0.0 5 32
36 P 36 ASP D T T 3 TS+ 0 0 -91.8 6.2 179.1 10.8 139.4 63.7 0 0.0 0 0.0 0 0.0 0 0.0 7 30
37 P 37 GLY G E E AB < TS- 34 0 -142.0 -123.4 -178.3 -80.4 88.4 98.6 34 -2.6 34 -2.3 0 0.0 0 0.0 13 40
38 P 38 MET M E E ABC - 33 58 -155.7 160.2 172.7 -126.3 16.6 168.8 58 -2.3 58 -2.4 0 0.0 0 0.0 14 59
39 P 39 LEU L E E ABC + 32 57 -107.9 131.4 -176.7 173.1 40.7 163.9 32 -2.2 32 -2.0 0 0.0 0 0.0 13 65
40 P 40 ILE I E E ABC - 31 56 -140.6 157.8 175.4 -107.1 34.0 166.3 56 -2.2 56 -2.7 0 0.0 0 0.0 15 71
41 P 41 THR T e - 0 0 -80.5 148.4 -179.7 -115.7 41.7 120.5 30 -1.6 0 0.0 0 0.0 0 0.0 12 65
42 P 42 PRO P t > T - 0 0 -82.2 161.5 179.4 -95.4 31.0 112.7 0 0.0 45 -0.7 0 0.0 0 0.0 13 50
43 P 43 THR T T T 3 TS+ 0 0 -76.0 142.4 173.1 14.7 98.6 122.7 70 -3.0 0 0.0 0 0.0 0 0.0 10 47
44 P 44 GLY G T T 3 TS+ 0 0 81.1 -1.2 176.5 119.6 83.8 66.4 26 -0.5 0 0.0 0 0.0 0 0.0 5 31
45 P 45 ILE I t < T - 0 0 -100.1 117.9 179.0 -127.8 63.4 153.9 42 -0.7 0 0.0 0 0.0 0 0.0 8 35
46 P 46 PRO P g > > T - 0 0 -58.4 148.2 -178.3 -111.7 23.3 106.8 0 0.0 49 -1.6 0 0.0 50 -0.6 8 37
47 P 47 TYR Y G G 4 > TS+ 0 0 -50.8 -45.5 -178.0 57.9 113.5 30.4 25 -0.6 50 -1.4 0 0.0 0 0.0 10 43
48 P 48 GLU E G G 4 3 TS+ 0 0 -65.2 -18.4 177.8 46.0 108.1 47.1 0 0.0 0 0.0 0 0.0 0 0.0 5 32
49 P 49 LYS K G G 4 < TS+ 0 0 -103.6 1.8 179.0 121.0 85.0 65.0 46 -1.6 0 0.0 0 0.0 0 0.0 6 28
50 P 50 LEU L g < < T - 0 0 -68.0 130.1 176.2 -178.6 38.3 115.4 47 -1.4 0 0.0 46 -0.6 0 0.0 9 42
51 P 51 THR T g > > T - 0 0 -122.4 168.8 179.7 -102.3 43.3 142.8 0 0.0 54 -1.6 0 0.0 55 -0.5 7 34
52 P 52 GLU E G G 4 > TS+ 0 0 -57.7 -35.6 178.8 61.4 119.5 31.2 0 0.0 55 -1.1 0 0.0 0 0.0 9 37
53 P 53 SER S G G 4 3 TS+ 0 0 -66.7 -20.1 178.4 63.4 94.5 49.2 0 0.0 0 0.0 0 0.0 0 0.0 5 32
54 P 54 HIS H G G 4 < TS+ 0 0 -75.8 -27.0 -176.8 104.9 76.6 44.9 51 -1.6 0 0.0 0 0.0 0 0.0 10 43
55 P 55 ILE I g < < T - 0 0 -62.7 132.1 -174.3 -144.8 64.1 110.9 52 -1.1 0 0.0 51 -0.5 0 0.0 12 52
56 P 56 VAL V E E AC - 40 0 -105.9 135.6 173.6 -145.5 6.7 149.8 40 -2.7 40 -2.2 0 0.0 58 -0.5 13 52
57 P 57 PHE F E E AC - 39 0 -96.5 125.2 176.6 -175.5 17.1 146.6 0 0.0 65 -1.7 0 0.0 0 0.0 10 48
58 P 58 ILE I E E ACA - 38 64 -118.4 122.7 -175.6 -140.8 18.6 175.4 38 -2.4 38 -2.3 56 -0.5 0 0.0 13 45
59 P 59 ASP D t > T - 0 0 -79.9 -178.5 179.7 -91.0 30.2 100.9 63 -2.0 62 -2.1 0 0.0 0 0.0 10 33
60 P 60 GLY G T T 3 TS+ 0 0 -61.6 -25.7 177.8 53.9 126.5 41.0 0 0.0 0 0.0 0 0.0 0 0.0 8 30
61 P 61 ASN N T T 3 TS- 0 0 -87.1 -5.6 -179.5 -107.4 120.1 62.1 0 0.0 0 0.0 0 0.0 0 0.0 6 23
62 P 62 GLY G t < T + 0 0 89.3 11.7 177.8 150.7 67.3 54.5 59 -2.1 0 0.0 0 0.0 0 0.0 7 36
63 P 63 LYS K - 0 0 -79.1 128.7 178.1 -137.7 39.3 132.5 0 0.0 59 -2.0 0 0.0 0 0.0 7 27
64 P 64 HIS H B B A - 58 0 -85.9 143.0 175.4 -101.7 24.3 126.2 0 0.0 0 0.0 0 0.0 0 0.0 9 34
65 P 65 GLU E t > T - 0 0 -57.7 142.3 177.0 -92.1 48.6 107.1 57 -1.7 68 -1.1 0 0.0 0 0.0 8 30
66 P 66 GLU E T T 3 TS+ 0 0 -56.1 137.6 174.0 10.1 102.1 104.9 0 0.0 0 0.0 0 0.0 0 0.0 4 18
67 P 67 GLY G T T 3 TS+ 0 0 68.8 18.9 -179.9 122.7 95.2 52.6 0 0.0 0 0.0 0 0.0 0 0.0 4 18
68 P 68 LYS K t < T - 0 0 -107.9 166.2 178.0 -101.3 64.8 128.2 65 -1.1 0 0.0 0 0.0 0 0.0 10 29
69 P 69 LEU L - 0 0 -80.0 158.0 178.4 -100.4 44.9 118.9 0 0.0 0 0.0 0 0.0 0 0.0 8 31
70 P 70 PRO P - 0 0 -72.9 160.9 172.8 -151.7 18.4 106.1 0 0.0 43 -3.0 0 0.0 0 0.0 6 39
71 P 71 GLN Q t > T - 0 0 -132.7 96.7 -173.9 -165.0 8.7 149.9 0 0.0 74 -2.0 0 0.0 0 0.0 9 46
72 P 72 SER S T T 3 TS+ 0 0 -62.9 -18.0 177.1 48.4 85.9 49.2 0 0.0 0 0.0 0 0.0 0 0.0 8 41
73 P 73 GLU E T h > > TS+ 0 0 -106.3 18.5 -178.3 113.1 74.5 79.0 0 0.0 76 -1.0 0 0.0 77 -0.7 8 55
74 P 74 TRP W H H > X T + 0 0 -58.1 -36.6 -177.1 69.8 63.6 33.5 71 -2.0 78 -2.1 0 0.0 77 -0.9 9 57
75 P 75 ARG R H H > 3 TS+ 0 0 -55.3 -38.0 -179.2 49.4 96.7 30.7 0 0.0 79 -1.9 0 0.0 0 0.0 11 51
76 P 76 PHE F H H > < TS+ 0 0 -78.9 -15.7 172.4 55.5 107.4 41.9 73 -1.0 80 -1.5 0 0.0 0 0.0 12 69
77 P 77 HIS H H H X < TS+ 0 0 -72.7 -44.3 179.1 45.9 110.1 20.7 74 -0.9 81 -2.0 73 -0.7 0 0.0 10 75
78 P 78 A MET M H H X TS+ 0 0 -65.0 -33.9 177.6 55.1 109.7 26.8 74 -2.1 82 -2.1 0 0.0 0 0.0 10 61
79 P 79 ALA A H H X TS+ 0 0 -65.6 -37.7 176.3 51.5 106.6 24.6 75 -1.9 83 -2.3 0 0.0 0 0.0 12 57
80 P 80 ALA A H H X TS+ 0 0 -63.9 -43.0 -179.0 49.1 109.5 25.4 76 -1.5 84 -2.2 0 0.0 0 0.0 14 61
81 P 81 TYR Y H H < TS+ 0 0 -66.4 -34.5 -179.8 45.2 114.4 30.9 77 -2.0 0 0.0 0 0.0 0 0.0 12 56
82 P 82 GLN Q H H < TS+ 0 0 -77.5 -32.5 179.7 45.9 116.1 33.2 78 -2.1 0 0.0 0 0.0 0 0.0 8 44
83 P 83 SER S H H < TS+ 0 0 -77.6 -34.2 -177.5 37.3 120.5 34.3 79 -2.3 0 0.0 0 0.0 0 0.0 10 39
84 P 84 ARG R h < > T - 0 0 -125.1 94.6 178.8 -175.1 62.4 143.2 80 -2.2 87 -2.0 0 0.0 0 0.0 9 42
85 P 85 PRO P T T 3 TS+ 0 0 -55.3 -34.6 179.3 59.1 86.0 32.2 0 0.0 0 0.0 0 0.0 0 0.0 7 33
86 P 86 ASP D T T 3 TS+ 0 0 -71.2 -17.2 179.0 100.9 82.4 50.7 0 0.0 0 0.0 0 0.0 0 0.0 7 34
87 P 87 ALA A t < T + 0 0 -74.2 130.7 176.7 166.7 37.1 126.3 84 -2.0 0 0.0 0 0.0 0 0.0 13 51
88 P 88 ASN N e + 0 0 -118.2 -6.1 -179.3 33.5 66.2 66.6 161 -2.4 33 -2.5 0 0.0 0 0.0 13 48
89 P 89 ALA A E E AAD - 32 161 -152.0 142.8 -176.9 -161.6 62.2 172.3 161 -1.4 161 -1.7 0 0.0 0 0.0 14 62
90 P 90 VAL V E E AAD - 31 160 -132.0 131.2 177.9 -165.0 1.9 177.5 31 -2.1 31 -2.2 0 0.0 0 0.0 16 70
91 P 91 VAL V E E AAD - 30 159 -115.5 128.9 174.7 -176.7 7.6 166.5 159 -2.8 159 -2.4 0 0.0 0 0.0 15 79
92 P 92 HIS H E E AAD + 29 158 -121.8 136.3 174.3 147.3 15.3 170.2 29 -2.7 29 -2.0 0 0.0 0 0.0 11 84
93 P 93 ASN N E E A D - 0 157 -154.3 175.2 178.6 -125.0 50.3 160.4 157 -1.7 157 -2.7 0 0.0 0 0.0 12 71
94 P 94 HIS H + 0 0 -116.7 46.9 -179.5 178.9 41.1 111.9 0 0.0 0 0.0 0 0.0 0 0.0 13 50
95 P 95 ALA A h > T - 0 0 -54.7 138.7 -168.2 -121.1 33.9 103.6 0 0.0 99 -2.7 0 0.0 0 0.0 12 53
96 P 96 A VAL V H H > TS+ 0 0 -60.3 -46.4 -178.6 41.6 104.3 29.5 0 0.0 100 -2.4 0 0.0 0 0.0 9 44
97 P 97 HIS H H H > TS+ 0 0 -69.9 -43.5 176.1 47.9 117.1 18.2 0 0.0 101 -2.5 0 0.0 0 0.0 11 48
98 P 98 CYS C H H > TS+ 0 0 -56.4 -44.7 -177.9 48.6 114.4 20.8 0 0.0 102 -2.2 0 0.0 0 0.0 15 59
99 P 99 THR T H H X TS+ 0 0 -67.2 -39.2 176.5 52.9 107.8 27.5 95 -2.7 103 -1.3 0 0.0 0 0.0 16 52
100 P 100 ALA A H H X TS+ 0 0 -63.1 -41.6 177.6 49.6 109.2 23.9 96 -2.4 104 -1.4 0 0.0 0 0.0 9 42
101 P 101 VAL V H H X >TS+ 0 0 -63.6 -36.3 179.2 55.2 108.0 21.4 97 -2.5 106 -1.3 0 0.0 105 -0.7 14 50
102 P 102 SER S H H < 5TS+ 0 0 -66.3 -22.6 178.0 56.1 102.6 39.9 98 -2.2 154 -0.8 0 0.0 0 0.0 16 46
103 P 103 ILE I H H < 5TS+ 0 0 -75.8 -33.0 177.4 50.6 105.5 29.8 99 -1.3 0 0.0 0 0.0 0 0.0 10 33
104 P 104 LEU L H H < 5TS- 0 0 -75.4 -15.8 179.2 -132.6 108.6 51.0 100 -1.4 0 0.0 0 0.0 0 0.0 7 35
105 P 105 ASN N T h < 5T + 0 0 62.7 47.2 -179.7 138.4 57.5 22.3 101 -0.7 0 0.0 0 0.0 0 0.0 10 34
106 P 106 ARG R t TS- 0 0 -151.6 147.3 -177.5 -117.7 80.8 169.7 0 0.0 115 -1.7 0 0.0 0 0.0 8 42
113 P 113 TYR Y G G > TS+ 0 0 -64.8 -21.5 178.1 73.1 106.3 40.2 0 0.0 116 -1.6 0 0.0 0 0.0 9 38
114 P 114 MET M G G > TS+ 0 0 -70.7 -5.3 173.1 87.1 71.4 53.5 0 0.0 117 -1.9 0 0.0 0 0.0 6 44
115 P 115 ILE I G G X>TS+ 0 0 -59.8 -28.1 178.1 71.3 75.6 35.0 112 -1.7 118 -1.6 0 0.0 120 -0.6 16 53
116 P 116 ALA A G G X5TS+ 0 0 -63.7 -16.5 177.0 80.6 75.6 45.0 113 -1.6 119 -1.9 0 0.0 0 0.0 13 46
117 P 117 ALA A G G <5TS+ 0 0 -60.7 -25.8 179.8 54.0 89.3 38.0 114 -1.9 0 0.0 0 0.0 0 0.0 9 48
118 P 118 ALA A G G <5TS- 0 0 -92.1 4.6 174.1 -95.6 128.7 68.7 115 -1.6 148 -2.3 0 0.0 0 0.0 11 59
119 P 119 GLY G T g <5TS+ 0 0 108.4 -11.6 -176.6 19.5 89.3 73.8 116 -1.9 0 0.0 0 0.0 0 0.0 10 47
120 P 120 GLY G S t T - 0 0 -52.7 137.1 176.0 -99.3 56.2 104.1 0 0.0 133 -1.4 0 0.0 0 0.0 7 24
131 P 131 PHE F T T 3 TS+ 0 0 -54.9 144.9 178.6 25.7 107.3 102.3 0 0.0 0 0.0 0 0.0 0 0.0 7 39
132 P 132 GLY G T T 3 TS+ 0 0 79.2 6.1 -178.1 125.7 94.5 58.0 0 0.0 0 0.0 0 0.0 0 0.0 11 34
133 P 133 THR T h > < T - 0 0 -99.0 157.8 175.8 -127.4 69.0 131.6 130 -1.4 137 -1.9 0 0.0 0 0.0 9 28
134 P 134 ARG R H H > TS+ 0 0 -63.4 -39.3 177.6 60.5 111.6 27.3 0 0.0 138 -2.3 0 0.0 0 0.0 7 28
135 P 135 GLU E H H > TS+ 0 0 -55.5 -47.5 178.4 46.5 104.7 22.0 0 0.0 139 -1.8 0 0.0 0 0.0 8 27
136 P 136 LEU L H H > TS+ 0 0 -63.2 -40.8 177.8 55.7 109.9 20.9 0 0.0 140 -2.3 0 0.0 0 0.0 14 39
137 P 137 SER S H H X TS+ 0 0 -56.0 -44.5 179.7 50.2 106.2 26.9 133 -1.9 141 -2.6 0 0.0 0 0.0 12 44
138 P 138 GLU E H H X TS+ 0 0 -65.0 -38.5 177.8 50.8 109.0 30.5 134 -2.3 142 -1.9 0 0.0 0 0.0 9 37
139 P 139 HIS H H H X TS+ 0 0 -66.0 -39.4 179.0 47.7 112.5 26.4 135 -1.8 143 -2.1 0 0.0 0 0.0 10 47
140 P 140 VAL V H H X TS+ 0 0 -66.6 -44.9 179.8 53.1 109.0 22.5 136 -2.3 144 -2.0 0 0.0 0 0.0 14 55
141 P 141 ALA A H H < TS+ 0 0 -57.3 -40.3 -180.0 45.8 111.9 25.3 137 -2.6 0 0.0 0 0.0 0 0.0 13 46
142 P 142 LEU L H H < > TS+ 0 0 -71.7 -37.3 179.4 52.3 110.7 26.3 138 -1.9 145 -1.0 0 0.0 0 0.0 8 38
143 P 143 ALA A H H < 3 TS+ 0 0 -68.5 -31.5 -178.1 49.6 109.9 34.7 139 -2.1 0 0.0 0 0.0 0 0.0 12 49
144 P 144 LEU L T h < 3 TS+ 0 0 -89.1 3.7 179.7 96.7 81.2 62.9 140 -2.0 0 0.0 0 0.0 0 0.0 13 54
145 P 145 LYS K S t < TS+ 0 0 -57.3 -46.3 -176.5 8.9 108.3 24.8 142 -1.0 0 0.0 0 0.0 0 0.0 8 38
146 P 146 A ASN N S S S+ 0 0 -121.6 18.1 179.2 63.2 126.3 82.7 0 0.0 0 0.0 0 0.0 0 0.0 7 38
147 P 147 ARG R - 0 0 -140.8 151.1 179.2 -146.3 62.4 170.8 0 0.0 0 0.0 0 0.0 0 0.0 12 52
148 P 148 LYS K S e S+ 0 0 -94.6 -5.3 177.1 34.3 87.6 59.4 118 -2.3 160 -2.8 0 0.0 0 0.0 10 63
149 P 149 ALA A E E A F - 0 159 -145.7 152.0 177.9 -179.3 63.1 170.8 0 0.0 0 0.0 0 0.0 0 0.0 15 75
150 P 150 THR T E E A F - 0 158 -149.5 144.4 170.1 -127.0 24.5 173.4 158 -2.3 158 -2.3 0 0.0 0 0.0 15 75
151 P 151 LEU L E E AeF - 125 157 -81.5 155.9 178.3 -139.9 21.8 124.5 124 -3.3 126 -2.9 0 0.0 0 0.0 17 71
152 P 152 A LEU L E E >AeF> T - 126 156 -119.4 111.1 -175.6 -111.9 28.1 169.3 156 -2.7 155 -1.9 0 0.0 156 -1.5 15 63
153 P 153 GLN Q T e 4 3 TS- 0 0 -48.8 132.2 -177.1 -2.5 96.8 98.6 126 -2.9 0 0.0 0 0.0 0 0.0 14 43
154 P 154 HIS H T T 4 3 TS+ 0 0 55.6 32.0 -174.4 61.8 134.0 41.0 102 -0.8 0 0.0 0 0.0 0 0.0 10 36
155 P 155 HIS H T T 4 < TS- 0 0 -147.1 -69.2 -175.1 -101.2 91.1 59.1 152 -1.9 0 0.0 0 0.0 0 0.0 11 51
156 P 156 GLY G E E TS- 0 0 -152.9 173.3 -176.8 -96.8 81.6 160.0 0 0.0 167 -2.1 0 0.0 0 0.0 10 43
164 P 164 LEU L H H > TS+ 0 0 -62.8 -40.6 179.7 53.1 118.3 29.3 0 0.0 168 -2.4 0 0.0 0 0.0 15 51
165 P 165 GLU E H H > TS+ 0 0 -63.2 -45.0 -179.7 43.0 112.8 23.5 0 0.0 169 -2.2 0 0.0 0 0.0 7 37
166 P 166 LYS K H H > TS+ 0 0 -71.4 -33.5 178.5 54.3 112.3 32.2 0 0.0 170 -2.5 0 0.0 0 0.0 9 38
167 P 167 ALA A H H X TS+ 0 0 -66.0 -42.4 179.3 43.3 112.1 25.2 163 -2.1 171 -2.2 0 0.0 0 0.0 15 53
168 P 168 LEU L H H X TS+ 0 0 -66.4 -41.6 179.2 53.3 112.6 21.9 164 -2.4 172 -2.5 0 0.0 0 0.0 12 54
169 P 169 TRP W H H X TS+ 0 0 -57.5 -45.1 178.3 46.8 111.0 20.2 165 -2.2 173 -2.3 0 0.0 0 0.0 8 47
170 P 170 LEU L H H X TS+ 0 0 -65.0 -43.7 178.9 53.9 108.9 21.9 166 -2.5 174 -2.4 0 0.0 0 0.0 14 53
171 P 171 ALA A H H X TS+ 0 0 -57.8 -41.9 178.0 47.9 110.5 23.9 167 -2.2 175 -2.0 0 0.0 0 0.0 13 65
172 P 172 A HIS H H H X TS+ 0 0 -67.1 -42.1 178.5 52.1 109.2 22.7 168 -2.5 176 -2.3 0 0.0 0 0.0 10 54
173 P 173 GLU E H H X TS+ 0 0 -62.1 -36.5 179.8 51.0 109.2 29.0 169 -2.3 177 -2.5 0 0.0 0 0.0 9 52
174 P 174 VAL V H H X TS+ 0 0 -69.2 -36.5 177.0 51.9 108.0 25.0 170 -2.4 178 -2.6 0 0.0 0 0.0 12 66
175 P 175 GLU E H H X TS+ 0 0 -65.0 -37.7 176.6 49.7 110.1 23.1 171 -2.0 179 -2.4 0 0.0 0 0.0 13 60
176 P 176 VAL V H H X TS+ 0 0 -64.4 -44.8 178.3 48.6 111.2 17.7 172 -2.3 180 -2.6 0 0.0 0 0.0 9 48
177 P 177 LEU L H H X TS+ 0 0 -61.8 -39.1 177.8 51.0 110.7 26.4 173 -2.5 181 -2.3 0 0.0 0 0.0 12 54
178 P 178 ALA A H H X TS+ 0 0 -65.1 -40.5 177.1 49.1 110.3 24.4 174 -2.6 182 -2.7 0 0.0 0 0.0 12 60
179 P 179 GLN Q H H X TS+ 0 0 -65.2 -42.0 177.8 50.3 110.8 21.4 175 -2.4 183 -2.2 0 0.0 0 0.0 10 44
180 P 180 LEU L H H X TS+ 0 0 -60.5 -41.8 -179.8 48.6 112.3 22.0 176 -2.6 184 -1.9 0 0.0 0 0.0 8 40
181 P 181 TYR Y H H X TS+ 0 0 -65.2 -49.0 179.8 44.2 113.2 20.2 177 -2.3 185 -2.8 0 0.0 0 0.0 11 47
182 P 182 LEU L H H X TS+ 0 0 -64.9 -37.0 -177.5 52.4 112.9 30.9 178 -2.7 186 -1.2 0 0.0 0 0.0 10 38
183 P 183 THR T H H < TS+ 0 0 -66.4 -39.3 180.0 39.2 116.3 26.8 179 -2.2 0 0.0 0 0.0 0 0.0 8 28
184 P 184 THR T H H X > TS+ 0 0 -81.0 -32.4 177.8 61.3 108.8 30.1 180 -1.9 188 -2.7 0 0.0 187 -1.5 10 25
185 P 185 LEU L H H < 3 TS+ 0 0 -61.8 -32.1 178.7 60.8 96.8 37.2 181 -2.8 0 0.0 0 0.0 0 0.0 10 31
186 P 186 ALA A T h < 3 TS+ 0 0 -66.3 -23.2 179.3 35.5 114.3 44.7 182 -1.2 0 0.0 0 0.0 0 0.0 7 18
187 P 187 ILE I T T 4 < TS+ 0 0 -99.4 -43.6 179.9 9.7 131.7 36.2 184 -1.5 0 0.0 0 0.0 0 0.0 6 13
188 P 188 THR T t < T - 0 0 -146.1 135.5 179.8 -135.6 68.5 172.6 184 -2.7 0 0.0 0 0.0 0 0.0 7 14
189 P 189 ASP D S S S+ 0 0 -136.2 116.5 7.3 34.4 91.3 170.5 0 0.0 0 0.0 0 0.0 0 0.0 7 21
190 P 190 PRO P S S S- 0 0 -86.0 163.8 178.9 -140.4 90.6 59.9 0 0.0 0 0.0 0 0.0 0 0.0 5 22
191 P 191 VAL V - 0 0 -84.8 139.8 177.0 -100.5 27.8 130.6 0 0.0 0 0.0 0 0.0 0 0.0 9 27
192 P 192 PRO P - 0 0 -56.2 140.8 -179.8 -164.7 45.3 106.4 0 0.0 0 0.0 0 0.0 0 0.0 5 28
193 P 193 VAL V - 0 0 -129.6 158.9 173.6 -106.9 23.0 156.6 0 0.0 0 0.0 0 0.0 0 0.0 8 34
194 P 194 LEU L - 0 0 -77.4 148.3 -179.7 -105.3 47.0 120.9 110 -3.3 0 0.0 0 0.0 0 0.0 10 27
195 P 195 SER S h > T - 0 0 -71.6 162.8 176.8 -112.4 23.4 107.2 0 0.0 199 -2.2 0 0.0 0 0.0 7 24
196 P 196 ASP D H H > TS+ 0 0 -61.8 -33.5 174.9 58.7 118.9 28.2 0 0.0 200 -2.4 0 0.0 0 0.0 7 25
197 P 197 GLU E H H > TS+ 0 0 -57.9 -47.1 179.6 47.2 106.4 23.6 0 0.0 201 -1.6 0 0.0 0 0.0 6 22
198 P 198 GLU E H H > TS+ 0 0 -66.4 -41.3 177.0 50.3 110.8 25.1 0 0.0 202 -2.0 0 0.0 0 0.0 8 27
199 P 199 ILE I H H X TS+ 0 0 -65.1 -34.9 176.0 58.1 105.6 24.8 195 -2.2 203 -3.0 0 0.0 0 0.0 14 30
200 P 200 ALA A H H X TS+ 0 0 -58.5 -42.0 176.7 48.7 106.3 21.6 196 -2.4 204 -1.8 0 0.0 0 0.0 8 26
201 P 201 VAL V H H X TS+ 0 0 -62.2 -44.8 -179.7 48.0 112.4 22.1 197 -1.6 205 -2.2 0 0.0 0 0.0 8 22
202 P 202 VAL V H H X TS+ 0 0 -64.4 -43.6 178.3 54.9 107.9 19.9 198 -2.0 206 -2.3 0 0.0 0 0.0 10 26
203 P 203 LEU L H H < TS+ 0 0 -56.6 -42.3 177.3 48.8 108.4 25.5 199 -3.0 0 0.0 0 0.0 0 0.0 11 27
204 P 204 GLU E H H < TS+ 0 0 -63.3 -47.9 178.8 50.6 111.0 15.1 200 -1.8 0 0.0 0 0.0 0 0.0 6 19
205 P 205 LYS K H H < T 0 0 -57.7 -39.5 -179.1 999.9 999.9 32.4 201 -2.2 0 0.0 0 0.0 0 0.0 5 17
206 P 206 PHE F h < T 0 0 -64.6 999.9 999.9 999.9 999.9 103.8 202 -2.3 0 0.0 0 0.0 0 0.0 6 18
1e4cP.pdb
1E4C ALDOLASE (CLASS II) MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHHHHHHHHHHHHTTS TT EEEEEETTEEEE TT GGG GGG EEE TT B TT TTHHHHHHHHHH TT EEEEE HHHHH Kabs/Sand
chirality -+++++++++++++++++-+++--+++----+--+--+---++--+++--+++-----+-+---++----++++++++++++-++++---+-+-+++++ chirality
bends SSSSSSSSSSSSSSSSSSSS SS SSS SS SSS SSS SS SS SS SSSSSSSSS SS SSSSS bends
turns TTTTTTTTTTTTTTTTTTTTT TTTT TTTT TTTTTTTTTTTTTT TTTT TTTT TTTTTTTTTTTTTTTTT TTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33< >33<>>3<<>>3<< >33< >33< >3>X3<< >33< 3-turns
bridge-2 BBBB CCC A DDDDD bridge-2
bridge-1 AAAA BBBB CCC A AAAA bridge-1
sheets AAAAAA AAAA AAA AAAAA sheets
4-turns >>>>XXXXXXXXXXX<<<< >444<>444< >>>>XXXX<<<< >>>>XX 4-turns
summary hHHHHHHHHHHHHHHHHHhTt tTTt EEEEEETTEEEEetTTtgGGGggGGGgEEEtTTt BtTTt tThHHHHHHHHHHhTTteEEEEE hHHHHH summary
sequence MERNKLARQIIDTCLEMTRLGLNQGTAGNVSVRYQDGMLITPTGIPYEKLTESHIVFIDGNGKHEEGKLPQSEWRFHMAAYQSRPDANAVVHNHAVHCTA sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHT B SSSGGGGGGTSS B EE TT HHHHHHHHHHTSS SEEEETTTEEEEEESSHHHHHHHHHHHHHHHHHHHHHHTT SS HHHHH Kabs/Sand
chirality +++-+----++-+++++-+-+------+--++-+++++++++++++-+-----+---+-+-+-++++++++++++++++++++++++-+------+++++ chirality
bends SSSS SSSSSSSSSSSS SS SSSSSSSSSSSSS S SSS SSSSSSSSSSSSSSSSSSSSSSSSSS SS SSSSS bends
turns TTTTTT TTTTTTTTT TTTTTTTTTTTTTTTT TTTTT TTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >>>XX<<< >33< >33< >33< >33< 3-turns
bridge-2 FFFF FFFF bridge-2
bridge-1 B B ee ee DDDDD bridge-1
sheets AA AAAA AAAAAA sheets
4-turns X<<<< >>>>XXXX<<<< >444< >>>>XXXXXXXXXXXXXXXX>>>XX 4-turns
summary HHHHht B SSgGGGGGGgtS BeEE tTThHHHHHHHHHHhtS eEEEEeTTEEEEEEShHHHHHHHHHHHHHHHHHHHHHHhTtSS hHHHHH summary
sequence VSILNRSIPAIHYMIAAAGGNSIPCAPYATFGTRELSEHVALALKNRKATLLQHHGLIACEVNLEKALWLAHEVEVLAQLYLTTLAITDPVPVLSDEEIA sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHH Kabs/Sand
chirality ++++ chirality
bends SSSS bends
turns TTTTTT turns
5-turns 5-turns
3-turns 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns XX<<<< 4-turns
summary HHHHHh summary
sequence VVLEKF sequence