Secondary structure calculation program - copyright by David Keith Smith, 1989
1eaxA.pdb
1EAX HYDROLASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 241
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 16 VAL V 0 0 999.9 126.0 177.2 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 19 65
2 A 17 VAL V B B A + 185 0 -96.7 138.7 177.2 13.0 999.9 143.9 185 -2.8 185 -1.7 0 0.0 0 0.0 15 55
3 A 18 GLY G S S S+ 0 0 74.3 17.6 -179.9 119.1 101.1 49.9 139 -0.6 0 0.0 0 0.0 0 0.0 10 46
4 A 19 GLY G - 0 0 -100.8 -163.9 -179.7 -124.9 54.4 98.6 0 0.0 0 0.0 0 0.0 0 0.0 11 44
5 A 20 THR T E E AA - 151 0 -138.4 163.9 177.1 -79.1 37.8 155.1 151 -2.2 151 -2.3 0 0.0 0 0.0 7 35
6 A 21 ASP D E E AA - 150 0 -63.9 135.1 174.7 -128.1 48.8 116.1 0 0.0 0 0.0 0 0.0 0 0.0 8 35
7 A 22 ALA A e - 0 0 -76.8 159.9 174.9 -104.7 25.8 115.6 149 -2.9 0 0.0 0 0.0 0 0.0 10 37
8 A 23 ASP D t > T - 0 0 -79.3 151.8 179.5 -86.3 51.0 125.9 0 0.0 11 -2.2 0 0.0 0 0.0 5 30
9 A 24 GLU E T T 3 TS+ 0 0 -61.4 130.9 179.1 7.7 115.1 112.8 0 0.0 0 0.0 0 0.0 0 0.0 5 37
10 A 25 GLY G T T 3 TS+ 0 0 76.0 9.1 -178.7 124.9 90.0 56.1 0 0.0 0 0.0 0 0.0 0 0.0 10 42
11 A 26 GLU E S t < TS+ 0 0 -70.5 -27.9 -177.8 32.5 80.4 37.6 8 -2.2 0 0.0 0 0.0 0 0.0 7 45
12 A 27 TRP W S t > TS+ 0 0 -129.8 72.1 -177.6 171.0 70.1 129.7 0 0.0 15 -2.3 0 0.0 0 0.0 7 58
13 A 28 PRO P T T 3 TS+ 0 0 -65.0 -6.6 176.6 59.7 75.2 57.3 0 0.0 114 -1.6 0 0.0 0 0.0 12 58
14 A 29 TRP W T e 3 TS+ 0 0 -94.8 -9.6 -178.2 107.5 80.4 61.1 0 0.0 31 -2.0 0 0.0 0 0.0 13 71
15 A 30 GLN Q E E BB < T - 30 0 -76.1 131.8 -178.4 -171.1 51.0 125.8 12 -2.3 63 -0.6 0 0.0 0 0.0 16 83
16 A 31 VAL V E E BBC - 29 62 -124.4 148.0 175.7 -141.6 17.4 153.9 29 -2.5 29 -1.3 0 0.0 0 0.0 14 84
17 A 32 SER S E E BBC - 28 61 -108.7 126.8 178.5 -156.5 13.3 161.4 61 -2.1 61 -2.7 0 0.0 19 -0.6 14 73
18 A 33 LEU L E E BBC - 27 60 -106.6 121.6 179.0 -169.4 9.8 157.2 27 -2.9 26 -2.8 0 0.0 27 -1.4 13 74
19 A 34 HIS H E E BBC - 25 59 -109.3 137.3 175.5 -143.1 15.8 153.7 59 -3.0 59 -2.0 17 -0.6 0 0.0 13 59
20 A 35 ALA A E E >BBC> T - 24 58 -95.0 134.9 -173.9 -89.1 47.3 147.0 24 -1.8 23 -2.8 0 0.0 24 -0.8 12 42
21 A 36 LEU L T e 4 3 TS+ 0 0 -54.1 120.9 -179.1 2.0 109.9 100.8 57 -2.9 0 0.0 0 0.0 0 0.0 8 30
22 A 37 GLY G T T 4 3 TS+ 0 0 82.2 5.1 -179.1 77.5 121.9 60.3 0 0.0 0 0.0 0 0.0 0 0.0 4 17
23 A 38 GLN Q T T 4 < TS- 0 0 -122.6 -8.2 -178.4 -139.0 83.5 58.4 20 -2.8 0 0.0 0 0.0 0 0.0 7 27
24 A 39 GLY G E E T - 0 0 -103.0 133.1 179.9 -141.6 27.5 151.1 0 0.0 43 -1.5 0 0.0 0 0.0 16 73
41 A 56 ALA A G G > TS+ 0 0 -58.7 -33.1 -175.2 68.0 96.7 34.6 0 0.0 44 -1.9 0 0.0 0 0.0 14 61
42 A 57 HIS H G G > TS+ 0 0 -66.4 -15.2 -179.9 65.8 89.1 43.9 0 0.0 45 -0.7 0 0.0 0 0.0 10 55
43 A 58 CYS C G G < TS+ 0 0 -77.5 -13.7 -173.5 55.3 97.6 50.2 40 -1.5 0 0.0 0 0.0 0 0.0 10 66
44 A 59 TYR Y G G < TS+ 0 0 -115.9 37.4 179.9 121.1 75.5 97.7 41 -1.9 0 0.0 0 0.0 0 0.0 10 58
45 A 60 ILE I g < T - 0 0 -104.9 126.8 179.6 -120.2 61.4 151.6 42 -0.7 0 0.0 0 0.0 0 0.0 9 45
46 A 60A ASP D - 0 0 -60.5 149.8 171.9 -169.6 26.6 102.4 0 0.0 0 0.0 0 0.0 0 0.0 9 26
47 A 60B ASP D B B B > T - 50 0 -131.2 170.5 -176.7 -88.6 43.4 147.4 50 -2.4 50 -1.0 0 0.0 0 0.0 7 18
48 A 60C ARG R T T 3 TS+ 0 0 -54.1 -25.2 -179.2 35.8 124.5 42.7 0 0.0 0 0.0 0 0.0 0 0.0 5 10
49 A 60D GLY G T T 3 TS+ 0 0 -108.2 -4.1 -178.4 32.8 120.9 57.7 0 0.0 0 0.0 0 0.0 0 0.0 5 15
50 A 60E PHE F B B B < T - 47 0 -156.5 133.3 -179.3 -135.8 63.4 163.7 47 -1.0 47 -2.4 0 0.0 52 -1.6 6 23
51 A 60F ARG R t > T + 0 0 -88.7 76.4 179.3 167.5 29.8 124.3 0 0.0 54 -1.9 0 0.0 0 0.0 10 26
52 A 60G TYR Y T T 3 TS+ 0 0 -62.2 -18.0 179.5 65.7 72.4 46.9 50 -1.6 0 0.0 0 0.0 0 0.0 12 43
53 A 60H SER S T T 3 TS+ 0 0 -79.8 -9.2 -177.5 95.1 79.0 53.1 0 0.0 0 0.0 0 0.0 0 0.0 8 42
54 A 60I ASP D g X T - 0 0 -87.1 114.1 -179.6 -151.4 67.0 137.8 51 -1.9 57 -2.1 0 0.0 0 0.0 9 36
55 A 61 PRO P G G > TS+ 0 0 -54.8 -28.6 -178.5 66.6 92.1 37.3 0 0.0 58 -1.5 0 0.0 80 -0.6 11 41
56 A 62 THR T G G 3 TS+ 0 0 -71.5 -8.2 -179.6 66.8 89.1 52.1 0 0.0 0 0.0 0 0.0 0 0.0 7 32
57 A 63 GLN Q G e < TS+ 0 0 -90.6 4.5 -173.9 81.2 93.2 66.7 54 -2.1 21 -2.9 0 0.0 0 0.0 9 39
58 A 64 TRP W E E BC < T - 20 0 -119.1 157.3 173.1 -168.5 50.9 138.6 55 -1.5 80 -0.5 0 0.0 0 0.0 12 48
59 A 65 THR T E E BCF - 19 79 -137.7 132.2 177.1 -152.3 14.3 173.5 19 -2.0 19 -3.0 0 0.0 0 0.0 12 55
60 A 66 ALA A E E BCF - 18 78 -105.3 132.4 175.8 -157.5 4.4 155.3 78 -3.1 78 -2.4 0 0.0 62 -0.6 12 68
61 A 67 PHE F E E BCF - 17 77 -111.1 119.1 178.6 -170.4 10.3 163.2 17 -2.7 17 -2.1 0 0.0 0 0.0 14 69
62 A 68 LEU L E E BCF S+ 16 76 -104.8 147.1 -179.4 23.7 70.7 145.4 76 -2.8 76 -3.1 60 -0.6 0 0.0 16 69
63 A 69 GLY G S e S+ 0 0 73.1 17.0 -178.9 154.5 87.7 47.4 15 -0.6 0 0.0 0 0.0 0 0.0 14 56
64 A 70 LEU L + 0 0 -81.6 144.5 176.7 161.9 20.0 121.0 0 0.0 0 0.0 0 0.0 0 0.0 15 60
65 A 71 HIS H + 0 0 -121.1 -52.8 -176.2 33.1 68.4 50.0 0 0.0 149 -2.2 0 0.0 0 0.0 9 49
66 A 72 ASP D B B C > T - 148 0 -117.2 123.4 -179.8 -146.1 64.0 161.6 0 0.0 69 -2.0 0 0.0 0 0.0 9 46
67 A 73 GLN Q T T 3 TS+ 0 0 -59.0 -22.2 179.0 56.9 102.6 46.0 147 -2.5 0 0.0 0 0.0 0 0.0 8 48
68 A 74 SER S T T 3 TS+ 0 0 -88.3 -2.1 -179.1 50.9 106.5 60.1 0 0.0 0 0.0 0 0.0 0 0.0 5 24
69 A 75 GLN Q t X T + 0 0 -132.3 62.2 -176.7 146.7 61.0 118.5 66 -2.0 72 -1.2 0 0.0 0 0.0 8 27
70 A 76 ARG R T T 3 TS+ 0 0 -78.6 -6.4 178.4 52.8 73.3 57.2 0 0.0 0 0.0 0 0.0 0 0.0 9 35
71 A 77 SER S T T 3 TS+ 0 0 -109.9 12.4 179.6 132.2 80.3 78.2 0 0.0 0 0.0 0 0.0 0 0.0 5 23
72 A 77A ALA A S t X TS- 0 0 -61.6 156.3 179.8 -75.6 73.6 100.1 69 -1.2 75 -2.1 0 0.0 0 0.0 7 23
73 A 78 PRO P T T 3 TS+ 0 0 -54.8 135.9 178.7 20.4 120.1 105.5 0 0.0 0 0.0 0 0.0 0 0.0 4 25
74 A 79 GLY G T T 3 TS+ 0 0 91.0 -17.0 178.4 125.6 88.2 77.8 0 0.0 0 0.0 0 0.0 0 0.0 8 33
75 A 80 VAL V t < T - 0 0 -77.2 135.6 179.4 -155.9 45.9 127.6 72 -2.1 0 0.0 0 0.0 0 0.0 12 43
76 A 81 GLN Q E E BF - 62 0 -116.6 132.2 179.6 -153.7 2.6 163.1 62 -3.1 62 -2.8 0 0.0 0 0.0 9 47
77 A 82 GLU E E E BF + 61 0 -104.8 133.5 179.6 173.1 20.3 150.0 0 0.0 0 0.0 0 0.0 0 0.0 8 51
78 A 83 ARG R E E BF - 60 0 -140.4 148.0 172.7 -139.8 23.3 173.1 60 -2.4 60 -3.1 0 0.0 0 0.0 12 48
79 A 84 ARG R E E BF - 59 0 -95.5 169.6 179.1 -114.2 27.9 122.0 0 0.0 104 -3.0 0 0.0 0 0.0 12 40
80 A 85 LEU L E E BG - 103 0 -107.7 142.5 177.9 -171.5 19.3 152.2 55 -0.6 0 0.0 58 -0.5 0 0.0 14 46
81 A 86 LYS K E E B* S- 0 0 -97.5 -30.4 -176.3 -0.2 74.1 44.6 102 -3.1 0 0.0 0 0.0 0 0.0 10 35
82 A 87 ARG R E E BG - 102 0 -160.1 153.0 175.2 -148.8 50.7 172.3 102 -1.0 102 -2.4 0 0.0 0 0.0 8 40
83 A 88 ILE I E E BG - 101 0 -125.7 119.6 177.6 -165.7 14.7 176.8 0 0.0 85 -0.7 0 0.0 0 0.0 13 51
84 A 89 ILE I E E BG - 100 0 -109.0 103.1 178.9 -166.3 8.8 156.1 100 -3.2 100 -2.4 0 0.0 0 0.0 7 45
85 A 90 SER S E E BG - 99 0 -86.8 143.5 -179.7 -93.1 36.9 132.1 83 -0.7 0 0.0 0 0.0 0 0.0 9 46
86 A 91 HIS H e > T - 0 0 -55.9 134.3 -179.1 -130.8 31.4 108.5 98 -2.3 89 -2.1 0 0.0 0 0.0 10 46
87 A 92 PRO P T T 3 TS+ 0 0 -60.3 -21.7 -178.1 50.8 105.5 42.8 0 0.0 0 0.0 0 0.0 0 0.0 4 28
88 A 93 PHE F T T 3 TS+ 0 0 -98.6 7.2 179.2 135.9 77.0 69.4 0 0.0 0 0.0 0 0.0 0 0.0 6 28
89 A 94 PHE F t < T - 0 0 -58.5 133.1 -179.1 -158.4 39.7 109.0 86 -2.1 91 -0.5 0 0.0 0 0.0 12 40
90 A 95 ASN N t > T - 0 0 -116.2 112.9 -178.8 -159.0 8.8 166.0 95 -1.9 94 -2.5 0 0.0 0 0.0 9 30
91 A 96 ASP D T T 4 TS+ 0 0 -71.4 -7.1 178.3 48.9 91.9 55.7 89 -0.5 0 0.0 0 0.0 0 0.0 7 30
92 A 97 PHE F T T 4 TS+ 0 0 -94.7 -49.0 -179.1 22.6 126.3 30.3 0 0.0 0 0.0 0 0.0 0 0.0 4 21
93 A 98 THR T T T 4 TS- 0 0 -90.3 -18.7 -175.4 -134.0 94.4 46.2 0 0.0 0 0.0 0 0.0 0 0.0 6 34
94 A 99 PHE F t < > T + 0 0 67.9 18.9 174.7 160.3 47.0 48.1 90 -2.5 97 -0.8 0 0.0 0 0.0 10 44
95 A 100 ASP D T T 3 T + 0 0 -64.9 149.8 179.3 19.2 64.7 115.4 0 0.0 90 -1.9 0 0.0 0 0.0 11 44
96 A 101 TYR Y T T 3 TS+ 0 0 55.2 45.7 -177.8 176.6 79.8 29.2 0 0.0 98 -1.8 0 0.0 0 0.0 11 49
97 A 102 ASP D t < T + 0 0 -84.1 80.0 -179.1 110.1 33.4 122.4 94 -0.8 0 0.0 0 0.0 0 0.0 13 60
98 A 103 ILE I e - 0 0 -153.2 144.1 179.1 -179.4 38.2 171.3 96 -1.8 86 -2.3 0 0.0 0 0.0 15 69
99 A 104 ALA A E E BEG - 39 85 -143.5 156.5 177.2 -136.8 20.5 167.2 39 -2.3 39 -2.8 0 0.0 0 0.0 12 67
100 A 105 LEU L E E BEG - 38 84 -116.1 131.3 -177.9 -159.1 17.5 164.3 84 -2.4 84 -3.2 0 0.0 0 0.0 12 65
101 A 106 LEU L E E BEG - 37 83 -116.3 124.6 179.5 -147.8 6.7 162.7 37 -2.6 37 -2.4 0 0.0 103 -0.6 13 69
102 A 107 GLU E E E BEG - 36 82 -95.5 120.0 178.8 -133.3 16.5 145.1 82 -2.4 81 -3.1 0 0.0 82 -1.0 11 53
103 A 108 LEU L E E B G - 0 80 -69.3 144.3 -177.7 -136.8 7.8 117.4 35 -2.7 0 0.0 101 -0.6 0 0.0 14 49
104 A 109 GLU E S e S+ 0 0 -73.3 -29.2 176.7 18.6 94.0 36.4 79 -3.0 0 0.0 0 0.0 0 0.0 9 34
105 A 110 LYS K S S S- 0 0 -137.1 142.3 -179.3 -94.2 101.5 170.9 0 0.0 0 0.0 0 0.0 0 0.0 7 28
106 A 111 PRO P - 0 0 -61.1 148.4 175.2 -113.1 36.2 100.1 0 0.0 0 0.0 0 0.0 0 0.0 7 37
107 A 112 ALA A - 0 0 -71.6 151.0 176.7 -128.1 26.8 118.4 34 -2.7 109 -0.6 0 0.0 0 0.0 11 44
108 A 113 GLU E - 0 0 -103.8 116.3 -178.9 -126.2 24.7 156.3 0 0.0 0 0.0 0 0.0 0 0.0 6 34
109 A 114 TYR Y + 0 0 -64.5 140.5 -179.4 145.2 46.7 111.8 107 -0.6 0 0.0 0 0.0 0 0.0 8 36
110 A 115 SER S B B D > T - 113 0 -156.2 -175.7 179.0 -76.8 67.9 151.3 113 -2.5 113 -0.6 0 0.0 0 0.0 7 31
111 A 116 SER S T T 3 TS+ 0 0 -65.0 -24.5 -178.7 40.9 134.7 33.8 0 0.0 0 0.0 0 0.0 0 0.0 7 27
112 A 117 MET M T T 3 TS+ 0 0 -97.9 -10.1 -177.1 51.8 115.0 57.6 0 0.0 0 0.0 0 0.0 0 0.0 13 38
113 A 118 VAL V B B D < T + 110 0 -133.9 112.4 -175.5 140.2 66.2 163.5 110 -0.6 110 -2.5 0 0.0 0 0.0 13 46
114 A 119 ARG R - 0 0 -153.5 140.8 -180.0 -109.5 47.0 170.9 13 -1.6 0 0.0 0 0.0 0 0.0 10 44
115 A 120 PRO P - 0 0 -74.4 152.7 174.4 -125.6 26.7 110.2 0 0.0 0 0.0 0 0.0 0 0.0 11 50
116 A 121 ILE I - 0 0 -88.4 155.0 178.3 -105.0 32.9 128.9 31 -2.5 0 0.0 0 0.0 0 0.0 11 57
117 A 122 CYS C B B e - 205 0 -82.5 142.4 177.1 -135.2 28.3 128.9 204 -2.0 206 -2.8 0 0.0 0 0.0 9 47
118 A 123 LEU L - 0 0 -96.6 138.4 179.4 -123.9 18.8 142.5 0 0.0 0 0.0 0 0.0 0 0.0 10 54
119 A 124 PRO P - 0 0 -81.5 146.4 177.0 -108.1 26.4 121.5 0 0.0 0 0.0 0 0.0 0 0.0 11 43
120 A 125 ASP D t > T - 0 0 -65.6 155.3 -179.1 -106.6 34.5 108.0 0 0.0 123 -1.9 0 0.0 0 0.0 7 29
121 A 126 ALA A T T 3 TS+ 0 0 -55.5 -31.9 -178.9 53.0 118.1 36.5 0 0.0 0 0.0 0 0.0 0 0.0 9 27
122 A 127 SER S T T 3 TS+ 0 0 -84.6 -5.0 -177.5 114.2 82.1 57.3 0 0.0 0 0.0 0 0.0 0 0.0 5 19
123 A 128 HIS H t < T - 0 0 -75.2 134.6 178.5 -154.7 51.6 119.3 120 -1.9 0 0.0 0 0.0 0 0.0 7 27
124 A 129 VAL V - 0 0 -107.6 123.7 175.2 -151.3 8.3 154.3 0 0.0 0 0.0 0 0.0 0 0.0 5 39
125 A 130 PHE F - 0 0 -90.0 108.6 -177.9 -129.3 38.0 150.6 0 0.0 0 0.0 0 0.0 0 0.0 7 47
126 A 131 PRO P t > T - 0 0 -67.3 147.5 177.0 -96.3 15.6 104.2 0 0.0 129 -2.2 0 0.0 0 0.0 6 37
127 A 132 ALA A T T 3 TS+ 0 0 -56.8 137.4 -179.8 27.8 111.6 108.1 0 0.0 0 0.0 0 0.0 0 0.0 8 32
128 A 133 GLY G T T 3 TS+ 0 0 94.4 -15.7 -178.3 138.1 85.0 80.8 156 -2.8 0 0.0 0 0.0 0 0.0 8 29
129 A 134 LYS K e < T - 0 0 -70.0 138.2 177.4 -123.8 54.0 114.4 126 -2.2 156 -2.1 0 0.0 0 0.0 8 34
130 A 135 ALA A E E AH + 155 0 -78.2 132.8 177.0 167.0 39.4 125.2 0 0.0 0 0.0 0 0.0 0 0.0 9 41
131 A 136 ILE I E E AH - 154 0 -141.4 167.0 -175.9 -116.2 28.1 157.6 154 -3.1 154 -3.0 0 0.0 0 0.0 12 54
132 A 137 TRP W E E AHI - 153 196 -115.0 139.5 174.1 -163.4 14.0 152.5 196 -2.9 196 -2.7 0 0.0 0 0.0 11 66
133 A 138 VAL V E E AHI - 152 195 -114.6 142.9 -178.1 -176.3 16.1 158.7 152 -2.6 152 -2.2 0 0.0 0 0.0 15 79
134 A 139 THR T E E AH + 151 0 -137.6 151.0 177.3 114.0 16.6 166.4 194 -0.7 0 0.0 0 0.0 0 0.0 15 78
135 A 140 GLY G E E AH - 150 0 167.8 175.2 178.5 -102.4 61.7 160.8 150 -1.9 150 -2.3 0 0.0 0 0.0 14 78
136 A 141 TRP W S S S+ 0 0 -106.8 17.7 179.2 123.3 74.6 85.7 0 0.0 146 -1.1 0 0.0 0 0.0 16 65
137 A 142 GLY G S S S- 0 0 -71.8 -176.2 179.8 -50.8 72.3 89.1 0 0.0 146 -0.7 0 0.0 0 0.0 15 62
138 A 143 HIS H B B F - 145 0 -55.5 144.2 179.2 -150.1 37.0 101.7 188 -2.9 0 0.0 0 0.0 0 0.0 16 50
139 A 144 THR T S S S+ 0 0 -97.7 0.3 173.8 23.1 85.9 64.2 144 -1.8 3 -0.6 0 0.0 0 0.0 13 41
140 A 145 GLN Q S t > TS- 0 0 -155.5 148.1 179.1 -88.4 101.3 161.2 0 0.0 143 -2.8 0 0.0 0 0.0 10 38
141 A 146 TYR Y T T 3 TS+ 0 0 -61.5 131.7 -179.8 8.7 120.3 115.2 0 0.0 0 0.0 0 0.0 0 0.0 11 35
142 A 147 GLY G T T 3 TS+ 0 0 73.4 7.5 -178.7 112.4 116.0 56.9 0 0.0 0 0.0 0 0.0 0 0.0 5 23
143 A 148 GLY G S t < TS- 0 0 -89.5 -145.4 -179.1 -73.2 70.1 73.4 140 -2.8 0 0.0 0 0.0 0 0.0 7 25
144 A 150 THR T - 0 0 -124.0 153.0 -179.3 -102.6 40.7 152.7 0 0.0 139 -1.8 0 0.0 0 0.0 8 31
145 A 151 GLY G B B F - 138 0 -64.6 159.9 179.4 -110.2 38.0 98.7 0 0.0 0 0.0 0 0.0 0 0.0 9 44
146 A 152 ALA A - 0 0 -96.2 135.8 176.4 -158.7 13.2 141.2 136 -1.1 0 0.0 137 -0.7 0 0.0 10 47
147 A 153 LEU L S S S+ 0 0 -73.5 -42.6 179.9 56.0 85.8 24.1 0 0.0 67 -2.5 0 0.0 0 0.0 8 45
148 A 154 ILE I B B C S- 66 0 -93.2 131.6 -179.7 -100.2 104.9 139.2 0 0.0 0 0.0 0 0.0 0 0.0 10 46
149 A 155 LEU L e - 0 0 -49.5 131.3 178.9 -149.0 42.7 102.7 65 -2.2 7 -2.9 0 0.0 0 0.0 12 62
150 A 156 GLN Q E E AAH - 6 135 -105.9 154.2 176.1 -163.4 11.2 140.2 135 -2.3 135 -1.9 0 0.0 0 0.0 13 57
151 A 157 LYS K E E AAH - 5 134 -133.1 149.4 178.5 -178.3 6.8 166.1 5 -2.3 5 -2.2 0 0.0 0 0.0 13 59
152 A 158 GLY G E E A H - 0 133 -148.3 142.5 179.4 -130.2 23.4 173.5 133 -2.2 133 -2.6 0 0.0 0 0.0 14 53
153 A 159 GLU E E E A H + 0 132 -97.3 128.0 -178.5 164.6 35.4 145.2 0 0.0 0 0.0 0 0.0 0 0.0 11 49
154 A 160 ILE I E E A H - 0 131 -135.2 166.3 -178.0 -125.0 26.8 149.2 131 -3.0 131 -3.1 0 0.0 0 0.0 13 57
155 A 161 ARG R E E AJH - 178 130 -124.2 146.1 178.9 -106.1 24.4 158.7 178 -1.2 178 -2.6 0 0.0 0 0.0 12 51
156 A 162 VAL V E E AJ - 177 0 -64.0 133.8 179.8 -145.3 37.5 115.3 129 -2.1 128 -2.8 0 0.0 0 0.0 15 53
157 A 163 ILE I e - 0 0 -106.2 144.2 177.4 -96.0 24.6 143.0 176 -2.6 0 0.0 0 0.0 0 0.0 13 49
158 A 164 ASN N h > T - 0 0 -52.5 134.3 -177.2 -128.9 32.8 107.8 0 0.0 162 -2.5 0 0.0 0 0.0 9 37
159 A 165 GLN Q H H > TS+ 0 0 -61.5 -38.5 178.6 53.1 106.4 29.9 0 0.0 163 -2.9 0 0.0 0 0.0 8 39
160 A 166 THR T H H > TS+ 0 0 -62.8 -43.5 177.7 47.9 110.8 20.9 0 0.0 164 -2.0 0 0.0 0 0.0 6 29
161 A 167 THR T H H > TS+ 0 0 -59.7 -46.4 179.3 51.1 111.8 19.7 0 0.0 165 -1.9 0 0.0 0 0.0 8 34
162 A 168 CYS C H H X TS+ 0 0 -55.6 -52.0 -179.5 49.5 109.1 19.9 158 -2.5 166 -1.6 0 0.0 0 0.0 12 42
163 A 169 GLU E H H < TS+ 0 0 -57.6 -37.8 -179.1 49.2 111.9 30.4 159 -2.9 0 0.0 0 0.0 0 0.0 12 33
164 A 170 ASN N H H < TS+ 0 0 -74.9 -27.7 179.2 53.1 108.0 35.9 160 -2.0 0 0.0 0 0.0 0 0.0 7 27
165 A 171 LEU L H H < TS+ 0 0 -74.4 -30.1 -178.1 30.3 121.9 36.7 161 -1.9 0 0.0 0 0.0 0 0.0 8 36
166 A 172 LEU L S h X > TS- 0 0 -130.6 72.3 -179.1 -152.8 91.9 129.8 162 -1.6 169 -1.5 0 0.0 170 -0.6 9 38
167 A 173 PRO P T T 4 3 TS+ 0 0 -54.1 135.0 179.0 2.0 72.8 98.1 0 0.0 0 0.0 0 0.0 0 0.0 7 24
168 A 174 GLN Q T T 4 3 TS+ 0 0 62.9 22.7 -177.6 82.0 117.7 47.3 0 0.0 0 0.0 0 0.0 0 0.0 5 24
169 A 175 GLN Q T T 4 < T + 0 0 -129.0 -15.4 -175.8 86.7 63.1 55.9 166 -1.5 171 -0.6 0 0.0 0 0.0 7 35
170 A 176 ILE I t < T - 0 0 -101.5 117.5 177.5 -176.3 50.3 146.5 166 -0.6 0 0.0 0 0.0 0 0.0 10 40
171 A 177 THR T t > T - 0 0 -100.0 169.1 179.8 -100.3 44.2 124.9 169 -0.6 174 -2.2 0 0.0 0 0.0 7 39
172 A 178 PRO P T T 3 TS+ 0 0 -65.2 -11.9 176.7 64.9 120.7 49.6 0 0.0 0 0.0 0 0.0 0 0.0 5 42
173 A 179 ARG R T e 3 TS+ 0 0 -81.1 -10.3 -175.0 76.7 96.4 51.8 0 0.0 227 -3.0 0 0.0 0 0.0 9 49
174 A 180 MET M E E A K< T - 0 226 -104.7 156.9 177.6 -171.4 57.6 129.8 171 -2.2 0 0.0 0 0.0 0 0.0 11 60
175 A 181 MET M E E A K - 0 225 -144.3 133.9 175.2 -135.0 19.4 174.1 225 -2.0 225 -2.7 0 0.0 0 0.0 14 67
176 A 182 CYS C E E A K + 0 224 -87.8 135.9 179.2 176.7 27.3 141.8 0 0.0 157 -2.6 0 0.0 0 0.0 13 70
177 A 183 VAL V E E AJK + 156 223 -141.2 131.4 -176.9 56.4 39.4 173.0 223 -2.1 223 -0.7 0 0.0 0 0.0 12 74
178 A 184 GLY G E E AJ S- 155 0 151.2 -141.1 -179.9 -55.7 86.3 167.1 155 -2.6 155 -1.2 0 0.0 0 0.0 14 63
179 A 184A PHE F t > T - 0 0 -141.2 140.0 176.3 -134.5 25.6 175.4 0 0.0 182 -1.6 0 0.0 0 0.0 13 47
180 A 185 LEU L T T 3 TS+ 0 0 -62.7 -26.4 178.7 56.0 111.8 36.8 0 0.0 220 -3.1 0 0.0 0 0.0 8 40
181 A 186 SER S T T 3 TS- 0 0 -81.1 -4.4 -178.6 -143.7 104.4 57.3 0 0.0 0 0.0 0 0.0 0 0.0 7 29
182 A 186A GLY G t < T + 0 0 79.7 -148.8 176.1 125.2 56.0 122.0 179 -1.6 184 -0.9 0 0.0 0 0.0 13 38
183 A 187 GLY G S S S+ 0 0 92.5 -50.3 179.7 51.1 71.6 103.8 217 -2.0 0 0.0 0 0.0 0 0.0 10 37
184 A 188 VAL V S S S+ 0 0 -125.4 130.1 -177.2 130.1 70.1 174.6 182 -0.9 0 0.0 0 0.0 0 0.0 14 52
185 A 189 ASP D B B A - 2 0 -167.8 162.8 173.2 -98.8 54.0 168.3 2 -1.7 2 -2.8 0 0.0 0 0.0 16 67
186 A 190 SER S - 0 0 -82.6 169.9 -179.1 -176.2 43.8 116.2 0 0.0 0 0.0 0 0.0 0 0.0 16 73
187 A 191 CYS C t > T - 0 0 -155.6 -178.9 -177.8 -32.8 38.2 154.8 0 0.0 190 -2.6 0 0.0 0 0.0 17 62
188 A 192 GLN Q T T 3 TS+ 0 0 -46.6 129.2 -180.0 24.4 126.2 99.6 0 0.0 138 -2.9 0 0.0 0 0.0 8 54
189 A 193 GLY G T T 3 TS+ 0 0 97.5 -15.0 176.4 85.8 101.2 78.4 0 0.0 0 0.0 0 0.0 0 0.0 13 60
190 A 194 ASP D t X T + 0 0 -88.0 -16.3 -179.6 122.1 62.0 50.7 187 -2.6 193 -2.1 0 0.0 0 0.0 16 73
191 A 195 SER S T T 3 TS+ 0 0 -47.1 139.2 177.8 24.2 70.5 95.3 0 0.0 28 -3.1 0 0.0 0 0.0 17 70
192 A 196 GLY G T T 3 TS+ 0 0 91.8 -21.3 179.8 120.7 94.2 80.8 210 -2.7 0 0.0 0 0.0 0 0.0 17 75
193 A 197 GLY G e < T - 0 0 -74.4 166.4 -179.4 -99.2 63.9 104.4 190 -2.1 210 -2.6 0 0.0 0 0.0 19 79
194 A 198 PRO P E E A L - 0 209 -89.6 148.6 166.7 -134.3 11.9 122.0 0 0.0 134 -0.7 0 0.0 196 -0.5 16 83
195 A 199 LEU L E E AIL - 133 208 -89.0 128.6 179.4 -148.4 30.8 153.3 208 -2.1 207 -2.1 0 0.0 208 -0.6 13 79
196 A 200 SER S E E AIL - 132 206 -104.7 125.1 179.9 -169.8 13.9 155.1 132 -2.7 132 -2.9 194 -0.5 0 0.0 12 66
197 A 201 SER S E E A L - 0 205 -120.0 125.2 178.2 -135.4 19.6 163.8 205 -2.7 205 -2.5 0 0.0 199 -0.6 11 53
198 A 202 VAL V E E A L - 0 204 -77.4 119.0 -177.6 -163.4 32.4 132.3 0 0.0 0 0.0 0 0.0 0 0.0 10 38
199 A 203 GLU E e > T - 0 0 -97.7 -166.8 -170.0 -63.3 37.0 99.5 203 -2.7 202 -2.1 197 -0.6 0 0.0 8 26
200 A 204 ALA A T T 3 TS+ 0 0 -56.7 -29.3 176.9 30.1 131.5 47.3 0 0.0 0 0.0 0 0.0 0 0.0 5 20
201 A 204A ASP D T T 3 TS- 0 0 -113.1 18.4 178.6 -94.1 122.2 82.5 0 0.0 0 0.0 0 0.0 0 0.0 5 9
202 A 205 GLY G S t < TS+ 0 0 91.7 -12.7 178.7 137.0 81.1 73.5 199 -2.1 0 0.0 0 0.0 0 0.0 6 19
203 A 206 ARG R e - 0 0 -68.0 145.6 -178.4 -121.4 53.7 115.4 0 0.0 199 -2.7 0 0.0 0 0.0 8 25
204 A 207 ILE I E E AL - 198 0 -98.5 130.4 179.3 -170.5 27.0 140.3 0 0.0 117 -2.0 0 0.0 0 0.0 10 41
205 A 208 PHE F E E ALe - 197 117 -114.0 149.5 178.7 -112.2 28.8 149.9 197 -2.5 197 -2.7 0 0.0 207 -0.6 12 50
206 A 209 GLN Q E E AL + 196 0 -83.1 123.0 -178.3 178.6 31.0 135.0 117 -2.8 0 0.0 0 0.0 0 0.0 13 68
207 A 210 ALA A E E A* - 0 0 -94.6 -26.3 -177.1 -31.4 59.2 37.3 195 -2.1 228 -1.5 205 -0.6 0 0.0 13 69
208 A 211 GLY G E E ALM - 195 227 -172.4 -176.6 -179.0 -95.0 56.7 161.4 195 -0.6 195 -2.1 0 0.0 0 0.0 11 78
209 A 212 VAL V E E ALM - 194 226 -122.9 130.6 178.5 -110.0 41.7 168.8 226 -1.7 226 -2.5 0 0.0 0 0.0 16 81
210 A 213 VAL V E E A M + 0 225 -59.6 126.6 -175.9 156.6 52.3 115.5 193 -2.6 192 -2.7 0 0.0 0 0.0 16 77
211 A 214 SER S E E A * - 0 0 -122.3 -65.5 -178.9 -40.6 43.9 39.7 224 -1.6 0 0.0 0 0.0 0 0.0 14 70
212 A 215 TRP W E E A M - 0 224 -160.4 174.0 175.6 -172.6 40.3 166.3 224 -2.0 224 -3.2 0 0.0 0 0.0 9 64
213 A 216 GLY G - 0 0 -166.4 164.5 176.3 -103.7 38.1 166.4 0 0.0 215 -0.9 0 0.0 0 0.0 10 60
214 A 217 ASP D S S S- 0 0 -94.6 102.3 -175.7 -41.4 94.3 149.9 0 0.0 0 0.0 0 0.0 0 0.0 7 45
215 A 219 GLY G S S S- 0 0 68.1 -160.8 179.0 -77.4 90.2 107.5 213 -0.9 0 0.0 0 0.0 0 0.0 8 42
216 A 220 CYS C S S S- 0 0 -143.5 130.1 176.5 -7.7 95.8 170.2 0 0.0 0 0.0 0 0.0 0 0.0 14 49
217 A 221 ALA A S S S+ 0 0 65.0 17.6 178.4 149.1 86.0 52.9 0 0.0 183 -2.0 0 0.0 0 0.0 15 45
218 A 221A GLN Q t > T - 0 0 -81.8 150.4 176.7 -91.2 57.4 119.7 0 0.0 221 -1.8 0 0.0 0 0.0 10 36
219 A 222 ARG R T T 3 TS+ 0 0 -56.9 137.9 179.2 7.5 111.0 108.7 0 0.0 0 0.0 0 0.0 0 0.0 10 33
220 A 223 ASN N T T 3 TS+ 0 0 61.6 16.9 179.3 94.9 110.2 54.8 180 -3.1 0 0.0 0 0.0 0 0.0 9 35
221 A 224 LYS K t < T + 0 0 -134.1 65.1 179.5 173.9 52.4 122.4 218 -1.8 0 0.0 0 0.0 0 0.0 14 46
222 A 225 PRO P - 0 0 -69.7 156.9 178.8 -89.0 41.5 109.8 0 0.0 0 0.0 0 0.0 0 0.0 17 61
223 A 226 GLY G E E AK - 177 0 -66.1 154.1 -178.6 -130.5 36.2 105.4 177 -0.7 177 -2.1 0 0.0 0 0.0 16 76
224 A 227 VAL V E E AKM - 176 212 -112.2 133.9 -174.3 -174.0 25.6 155.2 212 -3.2 212 -2.0 0 0.0 211 -1.6 12 73
225 A 228 TYR Y E E AKM - 175 210 -129.9 148.0 176.6 -113.9 28.5 157.4 175 -2.7 175 -2.0 0 0.0 0 0.0 13 78
226 A 229 THR T E E AKM - 174 209 -81.0 132.0 -179.7 -121.6 39.0 133.8 209 -2.5 209 -1.7 0 0.0 0 0.0 14 71
227 A 230 ARG R E E A M - 0 208 -72.3 147.6 179.6 -157.3 17.9 113.0 173 -3.0 0 0.0 0 0.0 0 0.0 12 66
228 A 231 LEU L S e > TS+ 0 0 -95.8 -41.6 -178.9 65.2 78.5 32.7 207 -1.5 231 -2.0 0 0.0 0 0.0 12 63
229 A 232 PRO P G T > TS+ 0 0 -50.7 -38.9 -179.6 61.8 96.7 27.5 0 0.0 232 -1.8 0 0.0 0 0.0 13 42
230 A 233 LEU L G T 3 TS+ 0 0 -58.2 -24.9 -177.5 45.6 107.0 44.3 0 0.0 0 0.0 0 0.0 0 0.0 8 39
231 A 234 PHE F G h > < TS+ 0 0 -104.3 7.5 -178.9 105.3 77.1 71.7 228 -2.0 235 -2.8 0 0.0 0 0.0 9 52
232 A 235 ARG R H H > < TS+ 0 0 -55.4 -45.2 -178.6 42.4 87.0 24.4 229 -1.8 236 -2.2 0 0.0 0 0.0 12 41
233 A 236 ASP D H H > TS+ 0 0 -69.7 -39.0 178.6 53.4 112.3 28.8 0 0.0 237 -2.9 0 0.0 0 0.0 8 26
234 A 237 TRP W H H > TS+ 0 0 -61.9 -42.1 178.2 48.7 110.2 24.8 0 0.0 238 -2.1 0 0.0 0 0.0 7 38
235 A 238 ILE I H H X TS+ 0 0 -63.1 -46.9 179.7 47.5 112.7 18.6 231 -2.8 239 -2.0 0 0.0 241 -0.5 11 47
236 A 239 LYS K H H X TS+ 0 0 -59.1 -45.3 -178.7 50.0 112.1 21.2 232 -2.2 240 -2.2 0 0.0 0 0.0 9 31
237 A 240 GLU E H H < TS+ 0 0 -61.9 -38.3 -177.1 37.6 118.2 29.6 233 -2.9 0 0.0 0 0.0 0 0.0 8 25
238 A 241 ASN N H H < TS+ 0 0 -90.6 -17.7 -176.6 19.4 133.2 47.5 234 -2.1 0 0.0 0 0.0 0 0.0 6 29
239 A 242 THR T H H < TS- 0 0 -126.7 -19.5 -177.1 -121.5 89.7 54.6 235 -2.0 0 0.0 0 0.0 0 0.0 7 34
240 A 243 GLY G h < T 0 0 88.2 -9.3 179.8 999.9 999.9 72.9 236 -2.2 0 0.0 0 0.0 0 0.0 6 22
241 A 244 VAL V 0 0 -80.6 999.9 999.9 999.9 999.9 119.1 235 -0.5 0 0.0 0 0.0 0 0.0 7 34
1eaxA.pdb
1EAX HYDROLASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand BS EE TTSSTTEEEEEETTTEEEEEEEE SSSEEEE GGGG BTTB TT GGGEEEEES BTT TTSTT EEEEEEEEEE TT TTT TT EE Kabs/Sand
chirality ++-----++++++------++--+-----+--++--+--++++---++-+++-+++----++++-+++++-++--+---------++--++-++++--- chirality
bends S SSSSSS SSS SSS SSSS SS SS SSS SS SS SSSSS S SS SSS S bends
turns TTTTTTTT TTTTT TTTTTT TTTTTTTTTTTT TTTTTTTTTT TTTTTTTTTTTT turns
5-turns 5-turns
3-turns >33<>33< >33< >>><<< >33<>33X>3<< >33X33X33< >33< >33< 3-turns
bridge-2 CCCCC DD EEEE FFFF GG bridge-2
bridge-1 A AA BBBBBB BB*BBBB DD B B CCCCC C FFFFG*GGGG EE bridge-1
sheets AA BBBBBB BBBBBBBB BBBB BBBBB BBBBBBBBBB BB sheets
4-turns >444< >444< 4-turns
summary BS EEetTTttTeEEEEEEeTTEEEEEEEEeSSeEEEEgGGGGg BTTBtTTgGGeEEEEEe BTTtTTtTTtEEEEEEEEEEeTTttTTTtTTteEE summary
sequence VVGGTDADEGEWPWQVSLHALGQGHICGASLISPNWLVSAAHCYIDDRGFRYSDPTQWTAFLGLHDQSQRSAPGVQERRLKRIISHPFFNDFTFDYDIAL sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEESS BTTB B TT TT EEEEEESSBSSTTS B SB EEEEEEE HHHHHHHSTTT TTEEEEE TT SSB TT TT EEEEE T Kabs/Sand
chirality ---+----+-+++-------++----++-+---+-+--+-++----+-----+-----+++++++-+++--++--++--+-+++---+++++-------+ chirality
bends SS SS SS SS SS SSSSS SS SSSSSSSSSS SS S SS SS SS SS S bends
turns TTTT TTTT TTTT TTTT TTTTTTTTTTTTTTTTT TTTT TTTTTTT TT turns
5-turns 5-turns
3-turns >33< >33< >33< >33< >33< >33< >33< >33X33< >3 3-turns
bridge-2 GGG II HHHHHH KKKK LLLLL bridge-2
bridge-1 EE D D e HHHHHH F F C AA JJ JJ A II bridge-1
sheets BBB AAAAAA AAAAAAA AAAAA AAAAA sheets
4-turns >>>>X<<33< >>3<< 3-turns
bridge-2 e MMM*M MMMM bridge-2
bridge-1 LLL*LL KKKK bridge-1
sheets AAAAAAAAA AAAAA sheets
4-turns >>>>XX<<<< 4-turns
summary TteEEEEEEEEE SSSStTTt EEEEEeTThHHHHHHHHh summary
sequence DGRIFQAGVVSWGDGCAQRNKPGVYTRLPLFRDWIKENTGV sequence
210 220 230 240