Secondary structure calculation program - copyright by David Keith Smith, 1989
2hhmA.pdb
2HHM HYDROLASE HUMAN INOSITOL MONOPHOSPHATASE (E.C.3.1.3.25) DIME HUMAN (HOMO SAPIENS) RECOMBINANT FORM EXPRESSED IN
Sequence length - 272
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 5 TRP W h > T 0 0 999.9 -16.3 -178.5 999.9 999.9 999.9 0 0.0 5 -3.0 0 0.0 0 0.0 5 35
2 A 6 GLN Q H H > T + 0 0 -56.0 -38.7 -178.5 50.1 999.9 39.5 0 0.0 6 -3.0 0 0.0 0 0.0 5 29
3 A 7 GLU E H H > TS+ 0 0 -67.1 -50.9 178.3 49.1 109.8 27.4 0 0.0 7 -2.6 0 0.0 0 0.0 6 24
4 A 8 CYS C H H > TS+ 0 0 -52.4 -51.3 -177.7 47.2 114.9 17.5 0 0.0 8 -2.4 0 0.0 0 0.0 7 44
5 A 9 MET M H H X TS+ 0 0 -55.4 -52.5 -179.4 51.8 108.4 26.3 1 -3.0 9 -2.7 0 0.0 0 0.0 9 50
6 A 10 ASP D H H X TS+ 0 0 -51.0 -45.4 179.9 46.8 114.1 24.9 2 -3.0 10 -1.6 0 0.0 0 0.0 8 36
7 A 11 TYR Y H H X TS+ 0 0 -62.1 -43.6 179.7 55.7 107.3 35.2 3 -2.6 11 -2.8 0 0.0 0 0.0 8 40
8 A 12 ALA A H H X TS+ 0 0 -59.0 -43.1 177.9 51.7 106.0 25.1 4 -2.4 12 -3.2 0 0.0 0 0.0 10 58
9 A 13 VAL V H H X TS+ 0 0 -60.6 -50.0 -178.9 46.8 111.2 19.9 5 -2.7 13 -2.6 0 0.0 0 0.0 9 51
10 A 14 THR T H H X TS+ 0 0 -59.7 -45.3 178.5 48.0 114.3 22.6 6 -1.6 14 -1.8 0 0.0 0 0.0 8 38
11 A 15 LEU L H H X TS+ 0 0 -59.1 -49.5 -177.2 47.8 112.7 20.7 7 -2.8 15 -3.0 0 0.0 0 0.0 9 53
12 A 16 ALA A H H X TS+ 0 0 -61.1 -41.5 179.5 51.6 110.3 28.0 8 -3.2 16 -2.5 0 0.0 0 0.0 14 62
13 A 17 ARG R H H X TS+ 0 0 -61.6 -38.9 -178.7 45.5 113.6 25.6 9 -2.6 17 -1.3 0 0.0 0 0.0 11 43
14 A 18 GLN Q H H X TS+ 0 0 -71.7 -44.7 177.0 48.6 112.2 21.3 10 -1.8 18 -1.1 0 0.0 0 0.0 8 43
15 A 19 ALA A H H X > TS+ 0 0 -63.6 -35.9 178.8 61.0 107.3 25.8 11 -3.0 19 -2.5 0 0.0 18 -0.6 13 50
16 A 20 GLY G H H X 3 TS+ 0 0 -59.6 -39.9 177.7 51.7 99.8 29.6 12 -2.5 20 -2.7 0 0.0 0 0.0 13 52
17 A 21 1 GLU E H H X 3 TS+ 0 0 -69.2 -28.1 177.6 52.3 108.3 36.6 13 -1.3 21 -1.6 0 0.0 0 0.0 9 40
18 A 22 VAL V H H X < TS+ 0 0 -68.1 -45.9 179.9 44.1 112.9 22.9 14 -1.1 22 -2.4 15 -0.6 0 0.0 10 40
19 A 23 VAL V H H X TS+ 0 0 -60.3 -49.0 -178.0 53.9 113.2 15.8 15 -2.5 23 -2.2 0 0.0 0 0.0 12 55
20 A 24 1 CYS C H H < TS+ 0 0 -57.4 -36.9 -179.7 40.4 112.1 39.0 16 -2.7 0 0.0 0 0.0 0 0.0 10 45
21 A 25 GLU E H H < > TS+ 0 0 -81.4 -35.9 -179.9 55.5 114.7 28.8 17 -1.6 24 -1.2 0 0.0 0 0.0 8 33
22 A 26 ALA A H H < > TS+ 0 0 -60.4 -39.5 -176.5 66.5 94.1 37.8 18 -2.4 25 -1.3 0 0.0 0 0.0 10 40
23 A 27 ILE I T h < 3 TS+ 0 0 -60.6 -19.2 -177.5 54.7 98.3 50.8 19 -2.2 0 0.0 0 0.0 0 0.0 10 43
24 A 28 LYS K T T < TS+ 0 0 -90.4 -18.8 -178.0 71.8 101.7 50.8 21 -1.2 0 0.0 0 0.0 0 0.0 7 25
25 A 29 ASN N S t < TS- 0 0 -93.7 172.9 179.0 -83.4 94.7 111.0 22 -1.3 0 0.0 0 0.0 0 0.0 6 21
26 A 30 GLU E - 0 0 -73.6 151.1 178.4 -148.8 46.2 113.5 0 0.0 0 0.0 0 0.0 0 0.0 6 21
27 A 31 MET M - 0 0 -123.8 147.3 171.3 -138.2 15.8 165.3 0 0.0 29 -0.8 0 0.0 0 0.0 8 29
28 A 32 ASN N e - 0 0 -99.9 103.3 179.4 -156.4 32.4 158.4 0 0.0 41 -0.6 0 0.0 0 0.0 6 25
29 A 33 VAL V E E AA - 40 0 -87.4 129.7 178.7 -170.4 11.2 140.9 27 -0.8 0 0.0 0 0.0 0 0.0 9 31
30 A 34 MET M E E AA - 39 0 -116.5 162.0 179.8 -125.1 16.9 138.9 39 -3.5 39 -1.8 0 0.0 0 0.0 7 27
31 A 35 LEU L E E AA - 38 0 -104.1 147.5 174.6 -176.0 19.8 145.2 0 0.0 0 0.0 0 0.0 0 0.0 10 24
32 A 36 LYS K S e S- 0 0 -107.0 -96.6 -175.8 -19.4 72.8 57.9 37 -3.1 0 0.0 34 -0.6 0 0.0 8 26
33 A 37 SER S S S S+ 0 0 -94.1 -6.4 177.8 10.8 127.6 52.9 0 0.0 0 0.0 0 0.0 0 0.0 5 21
34 A 38 SER S S t > TS- 0 0 -155.2 175.3 175.8 -91.9 85.2 159.5 0 0.0 37 -1.3 0 0.0 32 -0.6 6 17
35 A 39 PRO P T T 3 TS+ 0 0 -68.0 -12.9 178.2 43.2 127.6 57.0 0 0.0 0 0.0 0 0.0 0 0.0 7 19
36 A 40 VAL V T T 3 TS+ 0 0 -113.2 4.8 -178.3 95.2 89.1 72.3 0 0.0 38 -1.0 0 0.0 0 0.0 6 26
37 A 41 ASP D e < T - 0 0 -99.5 89.2 -174.1 -173.3 65.9 143.6 34 -1.3 32 -3.1 0 0.0 0 0.0 9 36
38 A 42 LEU L E E AA + 31 0 -91.4 159.2 176.6 171.5 22.5 119.4 36 -1.0 0 0.0 0 0.0 0 0.0 11 39
39 A 43 VAL V E E AA - 30 0 -157.6 147.4 177.3 -163.2 10.2 169.7 30 -1.8 30 -3.5 0 0.0 0 0.0 11 46
40 A 44 THR T E E >AA T - 29 0 -124.6 169.1 175.2 -106.1 39.5 145.4 0 0.0 44 -1.3 0 0.0 0 0.0 11 47
41 A 45 ALA A H H > TS+ 0 0 -66.5 -25.7 -178.5 64.4 119.0 37.2 28 -0.6 45 -3.2 0 0.0 0 0.0 9 39
42 A 46 THR T H H > TS+ 0 0 -67.9 -38.9 178.2 50.2 98.3 28.0 0 0.0 46 -2.9 0 0.0 0 0.0 9 50
43 A 47 ASP D H H > TS+ 0 0 -61.6 -43.6 -178.2 44.6 115.8 29.6 0 0.0 47 -1.8 0 0.0 0 0.0 12 61
44 A 48 GLN Q H H X TS+ 0 0 -68.5 -48.0 177.9 47.5 114.2 17.3 40 -1.3 48 -2.7 0 0.0 0 0.0 11 45
45 A 49 LYS K H H X TS+ 0 0 -54.0 -55.1 -179.0 49.3 113.1 17.3 41 -3.2 49 -2.9 0 0.0 0 0.0 8 42
46 A 50 VAL V H H X TS+ 0 0 -54.3 -43.0 -177.9 47.8 111.8 25.7 42 -2.9 50 -2.3 0 0.0 0 0.0 13 51
47 A 51 GLU E H H X TS+ 0 0 -68.4 -40.7 178.2 49.1 112.4 21.1 43 -1.8 51 -2.6 0 0.0 0 0.0 14 52
48 A 52 LYS K H H X TS+ 0 0 -61.2 -43.1 179.1 51.0 111.1 21.8 44 -2.7 52 -2.6 0 0.0 0 0.0 8 43
49 A 53 1 MET M H H X TS+ 0 0 -57.4 -47.0 -178.5 45.7 112.5 25.3 45 -2.9 53 -1.8 0 0.0 0 0.0 9 42
50 A 54 LEU L H H X TS+ 0 0 -64.6 -49.9 -177.7 48.3 113.5 20.9 46 -2.3 54 -1.6 0 0.0 0 0.0 11 57
51 A 55 ILE I H H X TS+ 0 0 -64.9 -42.9 179.8 47.3 111.5 26.9 47 -2.6 55 -2.4 0 0.0 0 0.0 9 50
52 A 56 SER S H H X TS+ 0 0 -64.3 -47.7 178.6 50.4 112.8 16.3 48 -2.6 56 -2.7 0 0.0 0 0.0 8 34
53 A 57 SER S H H X TS+ 0 0 -57.0 -36.8 -178.1 43.3 114.2 41.4 49 -1.8 57 -0.5 0 0.0 0 0.0 8 35
54 A 58 ILE I H H X TS+ 0 0 -80.0 -41.6 -176.8 47.3 115.2 30.2 50 -1.6 58 -3.0 0 0.0 0 0.0 9 42
55 A 59 LYS K H H < TS+ 0 0 -68.9 -30.6 178.5 58.7 106.9 30.7 51 -2.4 0 0.0 0 0.0 0 0.0 10 29
56 A 60 GLU E H H < TS+ 0 0 -63.1 -33.6 -179.6 29.4 120.2 35.9 52 -2.7 0 0.0 0 0.0 0 0.0 7 20
57 A 61 LYS K H H < TS+ 0 0 -101.5 -21.0 -178.0 29.6 134.7 47.1 53 -0.5 0 0.0 0 0.0 0 0.0 6 27
58 A 62 TYR Y h < > T + 0 0 -142.3 75.2 -177.1 167.4 63.9 129.0 54 -3.0 61 -1.4 0 0.0 0 0.0 7 29
59 A 63 PRO P T T 3 TS+ 0 0 -61.0 -29.7 -177.5 56.3 77.1 44.4 0 0.0 0 0.0 0 0.0 0 0.0 7 18
60 A 64 SER S T T 3 TS+ 0 0 -80.7 -14.3 -179.3 99.4 89.2 55.9 0 0.0 0 0.0 0 0.0 0 0.0 5 24
61 A 65 HIS H t < T - 0 0 -76.2 153.6 177.8 -136.8 65.1 112.3 58 -1.4 0 0.0 0 0.0 0 0.0 10 39
62 A 66 SER S E E Bb - 82 0 -104.0 164.0 -178.6 -145.4 14.1 131.7 81 -2.4 83 -2.4 0 0.0 0 0.0 8 44
63 A 67 PHE F E E Bb - 83 0 -135.4 142.6 172.6 -171.4 17.6 167.3 0 0.0 0 0.0 0 0.0 0 0.0 9 57
64 A 68 ILE I E E Bb + 84 0 -130.3 106.5 -178.6 170.7 25.7 161.7 83 -3.3 85 -3.1 0 0.0 0 0.0 15 59
65 A 69 GLY G E E >Bb T - 85 0 -122.0 142.1 -178.4 -128.8 38.5 166.1 0 0.0 69 -1.4 0 0.0 0 0.0 13 60
66 A 70 GLU E H H > TS+ 0 0 -52.1 -54.5 -175.2 39.4 107.1 28.7 85 -2.2 70 -1.6 0 0.0 0 0.0 10 62
67 A 71 GLU E H H > TS+ 0 0 -73.4 -25.7 176.5 54.1 112.6 44.3 0 0.0 71 -0.5 0 0.0 0 0.0 10 49
68 A 72 SER S H H 4 >TS+ 0 0 -75.5 -27.9 179.0 52.7 107.6 48.7 0 0.0 73 -2.1 0 0.0 0 0.0 10 39
69 A 73 VAL V H H < >5TS+ 0 0 -73.3 -41.6 177.7 50.3 108.6 29.1 65 -1.4 72 -1.1 0 0.0 0 0.0 11 37
70 A 74 ALA A H H < 35TS+ 0 0 -63.3 -26.2 -176.1 53.3 109.4 42.6 66 -1.6 0 0.0 0 0.0 0 0.0 7 37
71 A 75 ALA A T h < 35TS- 0 0 -90.7 -9.3 179.5 -74.9 135.3 62.0 67 -0.5 0 0.0 0 0.0 0 0.0 6 27
72 A 76 GLY G T T <5TS+ 0 0 144.7 -38.9 -178.3 127.7 88.6 93.4 69 -1.1 0 0.0 0 0.0 0 0.0 6 19
73 A 77 GLU E t TS- 0 0 -135.4 97.3 174.0 -164.0 73.0 148.5 0 0.0 90 -0.6 0 0.0 91 -0.5 13 77
89 A 93 ASP D E E B C3 TS+ 0 102 -77.8 122.9 -175.4 40.4 87.6 143.2 102 -3.4 102 -2.6 0 0.0 0 0.0 13 73
90 A 94 GLY G T h > 3 TS+ 0 0 100.8 38.3 177.7 164.1 70.7 46.0 88 -0.6 94 -2.5 0 0.0 0 0.0 12 64
91 A 95 THR T H H > < TS+ 0 0 -53.3 -43.4 177.1 49.8 76.0 27.9 88 -0.5 95 -2.1 0 0.0 0 0.0 11 64
92 A 96 THR T H H > TS+ 0 0 -59.1 -48.2 178.4 50.6 109.8 23.3 0 0.0 96 -1.4 0 0.0 0 0.0 8 49
93 A 97 ASN N H H > >TS+ 0 0 -53.3 -45.7 -179.3 54.2 108.3 25.7 0 0.0 98 -2.5 0 0.0 97 -1.0 12 47
94 A 98 PHE F H H < >5TS+ 0 0 -54.4 -48.5 -179.8 52.5 105.0 23.3 90 -2.5 97 -0.8 0 0.0 0 0.0 13 55
95 A 99 VAL V H H < 35TS+ 0 0 -55.5 -37.6 -178.0 38.8 117.3 39.1 91 -2.1 0 0.0 0 0.0 0 0.0 11 41
96 A 100 HIS H H H < 35TS- 0 0 -92.1 -11.8 -175.9 -119.4 109.9 59.3 92 -1.4 0 0.0 0 0.0 0 0.0 6 35
97 A 101 ARG R T h < <5T + 0 0 70.7 23.2 175.5 163.4 53.5 43.0 93 -1.0 0 0.0 94 -0.8 0 0.0 8 37
98 A 102 PHE F t TS+ 0 112 -132.4 132.8 -178.1 6.2 79.5 175.6 112 -2.3 112 -1.7 0 0.0 0 0.0 11 36
110 A 114 ASN N T T 3 TS- 0 0 59.8 37.1 178.5 -66.7 132.0 28.4 79 -3.6 0 0.0 0 0.0 0 0.0 8 26
111 A 115 LYS K T T 3 TS+ 0 0 58.3 22.2 178.2 109.0 115.2 52.5 78 -0.6 0 0.0 0 0.0 0 0.0 9 38
112 A 116 LYS K E E BD < TS- 109 0 -127.6 133.1 179.3 -108.3 76.4 172.9 109 -1.7 109 -2.3 0 0.0 0 0.0 6 44
113 A 117 ILE I E E BD + 108 0 -60.3 125.0 180.0 176.9 34.1 112.4 0 0.0 0 0.0 0 0.0 0 0.0 12 58
114 A 118 GLU E E E B* + 0 0 -98.7 -42.3 176.9 0.8 65.2 39.0 107 -3.8 131 -2.7 0 0.0 0 0.0 12 47
115 A 119 PHE F E E BDE - 107 130 -146.6 162.0 176.4 -159.1 59.0 168.6 107 -1.1 107 -2.7 0 0.0 0 0.0 14 55
116 A 120 GLY G E E BDE - 106 129 -144.7 144.4 178.2 -169.0 3.0 175.0 129 -2.7 129 -2.1 0 0.0 0 0.0 18 74
117 A 121 VAL V E E BDE + 105 128 -132.5 125.1 -179.6 179.2 6.4 177.2 105 -2.4 105 -2.9 0 0.0 0 0.0 17 76
118 A 122 VAL V E E BDE - 104 127 -132.6 115.5 -178.3 -168.2 7.3 168.4 127 -2.9 127 -3.1 0 0.0 120 -0.6 16 77
119 A 123 TYR Y E E BDE - 103 126 -110.5 103.1 176.9 -159.1 10.7 156.9 103 -2.3 103 -1.8 0 0.0 121 -1.3 14 69
120 A 124 SER S E E >BDE >T - 102 125 -81.7 96.5 -176.3 -165.9 17.4 135.6 125 -2.3 125 -2.2 118 -0.6 124 -1.3 15 61
121 A 125 1 CYS C T e 4 5TS+ 0 0 -53.0 -53.9 -176.6 50.3 75.5 35.4 119 -1.3 0 0.0 101 -1.1 0 0.0 15 53
122 A 126 VAL V T T 4 5TS+ 0 0 -64.9 -38.9 177.0 39.2 118.4 29.5 101 -0.5 0 0.0 0 0.0 0 0.0 9 43
123 A 127 GLU E T T 4 5TS- 0 0 -80.7 -17.2 -176.2 -129.5 104.3 50.5 0 0.0 0 0.0 0 0.0 0 0.0 7 35
124 A 128 GLY G T T < 5T + 0 0 68.8 39.5 179.5 152.8 54.8 28.4 120 -1.3 126 -0.6 0 0.0 0 0.0 7 37
125 A 129 LYS K E E BE T - 115 0 -130.0 128.3 179.7 -92.1 46.1 171.7 134 -1.0 133 -3.1 0 0.0 0 0.0 13 47
131 A 135 LYS K T e 3 TS+ 0 0 -40.2 126.8 179.2 4.7 112.1 98.5 114 -2.7 0 0.0 0 0.0 0 0.0 10 41
132 A 136 GLY G T T 3 TS+ 0 0 71.9 3.5 -178.4 83.5 117.4 69.4 0 0.0 0 0.0 0 0.0 0 0.0 5 29
133 A 137 LYS K S t < TS- 0 0 -118.2 -0.9 -179.6 -99.0 91.1 61.8 130 -3.1 0 0.0 0 0.0 0 0.0 7 32
134 A 138 GLY G e - 0 0 105.7 164.3 179.2 -94.0 26.3 104.2 0 0.0 130 -1.0 0 0.0 0 0.0 12 40
135 A 139 ALA A E E BF - 129 0 -119.9 133.2 -177.8 -178.8 44.1 167.8 226 -0.5 142 -3.0 0 0.0 0 0.0 16 52
136 A 140 PHE F E E BFG - 128 141 -137.3 156.9 175.5 -158.8 24.9 160.4 128 -2.4 128 -2.6 0 0.0 0 0.0 12 48
137 A 141 CYS C E E BFG> TS- 127 140 -136.8 108.8 -177.8 -22.5 88.7 162.2 140 -2.4 140 -2.1 0 0.0 0 0.0 11 47
138 A 142 ASN N T e 3 TS- 0 0 48.7 49.0 179.9 -48.8 130.8 25.3 126 -2.2 0 0.0 0 0.0 0 0.0 7 32
139 A 143 GLY G T T 3 TS+ 0 0 74.9 -1.8 179.6 121.9 113.7 73.9 0 0.0 0 0.0 0 0.0 0 0.0 5 27
140 A 144 GLN Q E E BG < T - 137 0 -93.4 132.0 -177.6 -119.2 65.1 140.8 137 -2.1 137 -2.4 0 0.0 0 0.0 6 25
141 A 145 LYS K E E BG - 136 0 -72.4 132.9 -176.8 -138.7 27.1 118.0 0 0.0 0 0.0 0 0.0 0 0.0 9 35
142 A 146 LEU L e - 0 0 -98.5 149.0 176.8 -179.4 20.1 139.1 135 -3.0 0 0.0 0 0.0 0 0.0 12 48
143 A 147 GLN Q - 0 0 -147.6 127.6 177.4 -127.9 24.8 167.4 0 0.0 0 0.0 0 0.0 0 0.0 10 44
144 A 148 VAL V - 0 0 -64.6 164.5 179.6 -89.4 41.8 105.2 227 -1.9 0 0.0 0 0.0 0 0.0 15 51
145 A 149 SER S - 0 0 -75.1 172.5 -178.4 -128.3 24.1 98.0 0 0.0 0 0.0 0 0.0 0 0.0 11 43
146 A 150 GLN Q + 0 0 -99.3 -5.5 -177.1 137.1 57.4 63.2 0 0.0 0 0.0 0 0.0 0 0.0 6 34
147 A 151 GLN Q + 0 0 -52.0 120.9 176.0 164.9 18.2 105.1 0 0.0 0 0.0 0 0.0 0 0.0 9 38
148 A 152 GLU E + 0 0 -114.0 -7.3 178.4 85.6 55.6 62.0 0 0.0 150 -0.7 0 0.0 0 0.0 7 31
149 A 153 ASP D g > T - 0 0 -98.9 111.4 -179.6 -158.6 62.3 148.1 0 0.0 152 -2.1 0 0.0 0 0.0 7 30
150 A 154 ILE I G G > TS+ 0 0 -57.4 -26.1 -175.5 67.5 90.0 38.3 148 -0.7 153 -1.8 0 0.0 0 0.0 10 42
151 A 155 THR T G G 3 TS+ 0 0 -74.6 -10.8 177.5 43.7 104.3 50.1 0 0.0 0 0.0 0 0.0 0 0.0 8 30
152 A 156 LYS K G G < TS+ 0 0 -117.5 22.1 -177.2 114.6 96.5 84.2 149 -2.1 0 0.0 0 0.0 0 0.0 8 33
153 A 157 SER S e < T - 0 0 -103.0 159.1 179.3 -145.6 54.7 124.1 150 -1.8 184 -2.1 0 0.0 185 -1.1 13 45
154 A 158 LEU L E E Ch - 185 0 -117.1 121.3 -177.4 -161.5 25.4 169.3 0 0.0 205 -2.6 0 0.0 206 -1.0 12 50
155 A 159 LEU L E E Chi - 186 206 -109.4 154.9 176.4 -156.6 11.4 136.7 185 -2.6 187 -2.2 0 0.0 0 0.0 13 64
156 A 160 1 VAL V E E Chi + 187 207 -122.8 142.0 178.5 142.4 28.0 162.5 206 -2.1 208 -1.6 0 0.0 0 0.0 13 57
157 A 161 THR T e - 0 0 -166.2 173.5 179.8 -126.2 35.9 161.8 187 -1.7 0 0.0 0 0.0 0 0.0 12 60
158 A 162 GLU E - 0 0 -133.5 155.5 -179.0 -126.0 18.0 153.7 0 0.0 0 0.0 0 0.0 0 0.0 10 56
159 A 163 LEU L - 0 0 -74.4 -23.9 176.9 -132.6 55.0 48.9 0 0.0 0 0.0 0 0.0 0 0.0 7 43
160 A 164 GLY G - 0 0 94.7 172.9 -178.3 -84.2 15.5 100.0 0 0.0 0 0.0 0 0.0 0 0.0 7 51
161 A 165 SER S S S S+ 0 0 -95.7 -9.8 178.6 99.4 91.5 52.2 0 0.0 0 0.0 0 0.0 0 0.0 7 44
162 A 166 SER S - 0 0 -79.3 139.5 177.6 -178.3 42.6 124.5 0 0.0 0 0.0 0 0.0 0 0.0 6 32
163 A 167 ARG R + 0 0 -118.0 8.1 178.3 128.5 41.3 81.9 0 0.0 0 0.0 0 0.0 0 0.0 6 23
164 A 168 THR T h > T - 0 0 -71.4 129.2 -177.0 -132.5 62.7 120.1 0 0.0 168 -2.8 0 0.0 0 0.0 6 22
165 A 169 PRO P H H > TS+ 0 0 -51.1 -45.3 -178.0 51.9 103.1 27.2 0 0.0 169 -2.5 0 0.0 0 0.0 6 15
166 A 170 GLU E H H > TS+ 0 0 -60.4 -45.2 177.6 42.6 114.0 28.1 0 0.0 170 -1.4 0 0.0 0 0.0 6 21
167 A 171 THR T H H > TS+ 0 0 -64.5 -50.7 180.0 51.5 113.1 23.6 0 0.0 171 -2.6 0 0.0 0 0.0 10 28
168 A 172 VAL V H H X TS+ 0 0 -54.7 -46.0 179.9 52.9 108.8 26.2 164 -2.8 172 -2.6 0 0.0 0 0.0 11 29
169 A 173 ARG R H H X TS+ 0 0 -58.5 -42.5 178.1 48.0 109.7 26.6 165 -2.5 173 -1.9 0 0.0 0 0.0 8 25
170 A 174 1 MET M H H X TS+ 0 0 -64.6 -46.5 179.3 50.7 110.7 23.9 166 -1.4 174 -2.4 0 0.0 0 0.0 10 33
171 A 175 VAL V H H X TS+ 0 0 -56.9 -43.5 -178.3 43.6 114.5 24.1 167 -2.6 175 -2.0 0 0.0 0 0.0 9 43
172 A 176 LEU L H H X TS+ 0 0 -72.6 -35.8 175.3 53.9 111.0 32.7 168 -2.6 176 -2.5 0 0.0 0 0.0 9 36
173 A 177 SER S H H X TS+ 0 0 -64.1 -42.7 176.8 50.0 108.4 28.5 169 -1.9 177 -1.9 0 0.0 0 0.0 8 32
174 A 178 ASN N H H X TS+ 0 0 -62.0 -43.3 -179.4 49.3 112.2 19.7 170 -2.4 178 -2.0 0 0.0 0 0.0 11 44
175 A 179 MET M H H X TS+ 0 0 -57.7 -51.3 -178.8 52.6 108.6 29.3 171 -2.0 179 -2.9 0 0.0 0 0.0 8 46
176 A 180 GLU E H H X TS+ 0 0 -51.8 -49.9 -179.5 51.0 107.0 31.5 172 -2.5 180 -1.9 0 0.0 0 0.0 8 31
177 A 181 LYS K H H < TS+ 0 0 -59.0 -46.1 -179.7 43.3 114.7 26.0 173 -1.9 0 0.0 0 0.0 0 0.0 10 31
178 A 182 LEU L H H < > TS+ 0 0 -63.9 -49.0 -177.6 52.2 112.8 17.1 174 -2.0 181 -1.6 0 0.0 0 0.0 12 45
179 A 183 PHE F H H X 3 TS+ 0 0 -51.6 -45.8 -177.8 50.7 109.1 36.7 175 -2.9 183 -0.9 0 0.0 0 0.0 11 35
180 A 184 CYS C T h < 3 TS+ 0 0 -79.8 -2.4 176.4 67.4 95.4 71.3 176 -1.9 0 0.0 0 0.0 0 0.0 7 25
181 A 185 ILE I T T 4 < TS- 0 0 -53.1 -46.0 -0.4 -115.0 123.2 30.9 178 -1.6 0 0.0 0 0.0 0 0.0 7 27
182 A 186 PRO P T T 4 T - 0 0 -99.6 169.7 176.0 -178.0 53.7 47.9 0 0.0 0 0.0 0 0.0 0 0.0 8 25
183 A 187 VAL V t < T - 0 0 -109.5 165.7 176.4 -106.9 42.5 133.7 179 -0.9 0 0.0 0 0.0 0 0.0 14 35
184 A 188 HIS H S S S- 0 0 -64.8 -36.7 179.2 -52.3 83.1 32.7 153 -2.1 0 0.0 0 0.0 0 0.0 10 31
185 A 189 GLY G E E Ch - 154 0 174.5 174.8 179.0 -114.3 41.8 167.8 153 -1.1 155 -2.6 0 0.0 0 0.0 8 34
186 A 190 ILE I E E Ch - 155 0 -135.6 130.9 -178.9 -171.5 26.7 173.4 0 0.0 0 0.0 0 0.0 0 0.0 10 42
187 A 191 ARG R E E Ch - 156 0 -120.1 156.7 -179.8 -162.9 7.7 144.6 155 -2.2 157 -1.7 0 0.0 0 0.0 8 38
188 A 192 1 SER S + 0 0 -146.1 107.7 -179.6 173.6 13.0 145.1 0 0.0 0 0.0 0 0.0 0 0.0 8 42
189 A 193 VAL V - 0 0 -91.5 -16.4 178.1 -113.4 51.2 52.5 0 0.0 0 0.0 0 0.0 0 0.0 9 44
190 A 194 GLY G S S S+ 0 0 96.6 17.3 177.8 81.1 86.5 57.0 0 0.0 0 0.0 0 0.0 0 0.0 10 50
191 A 195 THR T h > T - 0 0 -154.3 126.0 175.9 -150.8 61.4 158.8 0 0.0 195 -2.6 0 0.0 0 0.0 13 65
192 A 196 ALA A H H > TS+ 0 0 -58.1 -44.2 -175.2 51.7 100.3 27.7 0 0.0 196 -2.9 0 0.0 0 0.0 13 72
193 A 197 ALA A H H > TS+ 0 0 -65.2 -38.6 179.6 41.9 114.0 27.4 0 0.0 197 -1.7 0 0.0 0 0.0 14 83
194 A 198 VAL V H H > TS+ 0 0 -73.1 -43.0 175.6 53.9 113.3 28.5 0 0.0 198 -1.6 0 0.0 0 0.0 14 74
195 A 199 ASN N H H X TS+ 0 0 -55.7 -48.0 -178.8 46.1 111.1 26.4 191 -2.6 199 -1.0 0 0.0 0 0.0 14 65
196 A 200 MET M H H X TS+ 0 0 -67.7 -34.4 177.5 55.4 108.8 30.2 192 -2.9 200 -2.2 0 0.0 0 0.0 15 84
197 A 201 CYS C H H X TS+ 0 0 -64.9 -31.3 179.3 56.2 102.9 36.2 193 -1.7 201 -1.5 0 0.0 0 0.0 12 79
198 A 202 LEU L H H < >TS+ 0 0 -68.0 -34.9 176.2 50.4 106.4 37.3 194 -1.6 203 -1.4 0 0.0 204 -1.4 10 65
199 A 203 VAL V H H < >5TS+ 0 0 -67.6 -46.3 179.3 53.5 107.5 21.8 195 -1.0 202 -1.4 0 0.0 0 0.0 18 67
200 A 204 ALA A H H < 35TS+ 0 0 -58.7 -28.7 179.2 52.2 107.5 36.4 196 -2.2 0 0.0 0 0.0 0 0.0 18 61
201 A 205 THR T T h < 35TS- 0 0 -84.8 -11.9 -176.9 -114.2 114.5 45.2 197 -1.5 0 0.0 0 0.0 0 0.0 12 53
202 A 206 GLY G T T <5TS+ 0 0 90.9 4.3 179.4 115.4 87.8 65.1 199 -1.4 0 0.0 0 0.0 0 0.0 12 45
203 A 207 GLY G S t > T - 0 0 -129.1 160.0 -179.8 -101.2 27.1 142.8 0 0.0 217 -0.9 0 0.0 216 -0.7 11 61
214 A 218 CYS C H H > > TS+ 0 0 -54.1 -37.5 179.6 57.5 120.4 34.7 0 0.0 218 -1.9 0 0.0 217 -0.5 12 67
215 A 219 TRP W H H 4 3 TS+ 0 0 -67.0 -29.1 178.6 54.4 102.6 39.3 0 0.0 0 0.0 0 0.0 0 0.0 15 71
216 A 220 ASP D H H 4 < TS+ 0 0 -72.9 -26.1 -174.9 26.8 122.3 42.4 213 -0.7 0 0.0 0 0.0 0 0.0 15 76
217 A 221 VAL V H H X < TS+ 0 0 -116.5 -13.5 -177.0 87.1 94.0 53.1 213 -0.9 221 -2.2 214 -0.5 0 0.0 13 79
218 A 222 ALA A H H X TS+ 0 0 -58.4 -42.0 178.3 40.5 97.2 32.4 214 -1.9 222 -0.6 0 0.0 0 0.0 17 75
219 A 223 GLY G H H > TS+ 0 0 -73.9 -47.4 -173.6 40.6 120.2 19.2 0 0.0 223 -0.5 0 0.0 0 0.0 19 79
220 A 224 ALA A H H > TS+ 0 0 -80.5 -24.2 179.2 74.6 98.2 44.0 0 0.0 224 -1.9 0 0.0 0 0.0 17 86
221 A 225 GLY G H H X TS+ 0 0 -51.7 -55.0 179.7 44.7 99.1 26.3 217 -2.2 225 -1.9 0 0.0 0 0.0 12 80
222 A 226 ILE I H H X TS+ 0 0 -63.7 -28.0 176.7 59.3 108.0 40.6 218 -0.6 226 -2.4 0 0.0 0 0.0 15 68
223 A 227 ILE I H H X TS+ 0 0 -67.9 -44.4 177.3 46.6 106.7 25.3 219 -0.5 227 -0.8 0 0.0 0 0.0 19 72
224 A 228 VAL V H H < >TS+ 0 0 -61.6 -46.5 -179.2 45.9 115.9 25.1 220 -1.9 229 -2.9 0 0.0 0 0.0 20 68
225 A 229 THR T H H < >5TS+ 0 0 -66.2 -40.3 179.8 49.8 111.2 31.2 221 -1.9 228 -0.9 0 0.0 0 0.0 11 61
226 A 230 GLU E H H < 35TS+ 0 0 -73.2 -12.7 178.4 57.3 107.0 53.1 222 -2.4 135 -0.5 0 0.0 0 0.0 14 50
227 A 231 ALA A T h < 35TS- 0 0 -94.5 -2.4 178.6 -91.8 134.3 62.6 223 -0.8 144 -1.9 0 0.0 0 0.0 14 51
228 A 232 GLY G T T <5TS+ 0 0 104.8 11.2 -179.9 125.2 86.1 49.7 225 -0.9 0 0.0 0 0.0 0 0.0 11 48
229 A 233 GLY G t T - 0 0 -81.3 155.5 176.2 -116.6 33.4 124.8 237 -2.9 236 -1.8 0 0.0 0 0.0 14 49
234 A 238 VAL V T T 3 TS+ 0 0 -62.3 -22.0 179.1 65.8 116.3 43.9 0 0.0 0 0.0 0 0.0 0 0.0 15 49
235 A 239 THR T T T 3 TS- 0 0 -73.7 -11.0 -176.5 -109.7 121.6 55.2 0 0.0 0 0.0 0 0.0 0 0.0 6 37
236 A 240 GLY G S t < TS+ 0 0 92.7 -8.7 177.9 115.8 85.9 75.0 233 -1.8 0 0.0 0 0.0 0 0.0 9 35
237 A 241 GLY G S S S- 0 0 -79.4 -173.8 178.3 -58.5 78.2 97.5 0 0.0 233 -2.9 0 0.0 0 0.0 7 31
238 A 242 PRO P - 0 0 -65.9 144.4 178.2 -93.2 64.1 110.4 0 0.0 0 0.0 0 0.0 0 0.0 7 29
239 A 243 PHE F - 0 0 -57.2 138.7 179.4 -165.9 41.5 113.4 0 0.0 0 0.0 0 0.0 0 0.0 9 46
240 A 244 ASP D t > T - 0 0 -138.2 109.2 -177.1 -150.7 15.5 164.5 0 0.0 243 -2.5 0 0.0 0 0.0 8 48
241 A 245 LEU L T T 3 TS+ 0 0 -51.1 -28.9 -178.7 45.7 97.8 45.5 0 0.0 0 0.0 0 0.0 0 0.0 9 64
242 A 246 MET M T T 3 TS+ 0 0 -99.6 4.6 -175.9 88.7 89.3 64.8 0 0.0 270 -2.3 0 0.0 0 0.0 9 51
243 A 247 SER S S t < TS- 0 0 -79.9 -14.7 -177.7 -130.3 86.5 56.6 240 -2.5 0 0.0 0 0.0 0 0.0 12 42
244 A 248 ARG R S e S+ 0 0 73.5 12.3 -179.6 96.1 77.0 54.7 0 0.0 211 -4.2 0 0.0 212 -0.9 14 49
245 A 249 ARG R E E CJ + 210 0 -137.3 139.4 178.8 173.3 47.5 173.3 0 0.0 0 0.0 0 0.0 0 0.0 12 57
246 A 250 VAL V E E CJ - 209 0 -149.9 149.1 169.2 -171.9 25.3 175.5 209 -2.7 209 -2.6 0 0.0 0 0.0 14 72
247 A 251 ILE I E E CJK - 208 232 -128.9 115.6 175.1 -178.9 16.1 171.7 232 -2.0 232 -1.8 0 0.0 249 -0.5 16 73
248 A 252 ALA A E E CJK + 207 231 -116.9 107.6 -177.5 160.4 21.8 161.2 207 -2.6 207 -2.5 0 0.0 0 0.0 16 74
249 A 253 ALA A E E CJK - 206 230 -130.2 165.5 179.2 -112.3 54.4 139.9 230 -2.2 230 -2.4 247 -0.5 0 0.0 15 68
250 A 254 ASN N S e S- 0 0 -65.4 -34.6 -176.7 -4.0 98.6 28.1 205 -2.4 0 0.0 0 0.0 0 0.0 19 55
251 A 255 ASN N S h > TS- 0 0 -155.7 168.2 -175.6 -102.2 73.0 161.4 0 0.0 255 -1.9 0 0.0 0 0.0 11 51
252 A 256 ARG R H H > TS+ 0 0 -71.6 -20.5 178.0 64.4 111.8 42.7 0 0.0 256 -2.7 0 0.0 0 0.0 8 42
253 A 257 ILE I H H > TS+ 0 0 -66.0 -49.0 177.9 39.0 109.1 21.7 0 0.0 257 -1.5 0 0.0 0 0.0 7 36
254 A 258 LEU L H H > TS+ 0 0 -66.2 -45.7 -179.7 53.9 115.2 26.8 0 0.0 258 -2.0 0 0.0 0 0.0 13 50
255 A 259 ALA A H H X TS+ 0 0 -59.2 -44.4 179.8 44.9 110.6 24.4 251 -1.9 259 -2.5 0 0.0 0 0.0 15 56
256 A 260 GLU E H H X TS+ 0 0 -70.4 -29.6 177.4 54.6 111.3 30.9 252 -2.7 260 -1.9 0 0.0 0 0.0 9 41
257 A 261 ARG R H H X TS+ 0 0 -65.9 -45.3 178.0 45.2 110.3 26.8 253 -1.5 261 -1.7 0 0.0 0 0.0 9 47
258 A 262 ILE I H H X TS+ 0 0 -63.0 -50.4 178.6 52.9 111.3 19.1 254 -2.0 262 -2.1 0 0.0 0 0.0 10 60
259 A 263 ALA A H H < TS+ 0 0 -50.0 -43.5 179.3 53.3 108.8 24.4 255 -2.5 0 0.0 0 0.0 0 0.0 13 45
260 A 264 LYS K H H < TS+ 0 0 -59.7 -49.3 -177.6 46.5 108.9 24.4 256 -1.9 0 0.0 0 0.0 0 0.0 7 33
261 A 265 GLU E H H < TS+ 0 0 -70.6 -30.8 -177.0 71.6 103.6 33.9 257 -1.7 0 0.0 0 0.0 0 0.0 9 39
262 A 266 ILE I h < T - 0 0 -102.9 152.0 -180.0 -133.9 68.4 127.5 258 -2.1 0 0.0 0 0.0 0 0.0 10 46
263 A 267 GLN Q - 0 0 -94.8 139.9 -179.5 -117.5 27.7 137.7 0 0.0 0 0.0 0 0.0 0 0.0 7 37
264 A 268 VAL V - 0 0 -79.6 145.6 176.0 -144.2 17.1 117.4 0 0.0 0 0.0 0 0.0 0 0.0 7 41
265 A 269 ILE I - 0 0 -106.7 134.8 179.5 -113.3 25.4 152.3 0 0.0 0 0.0 0 0.0 0 0.0 7 41
266 A 270 PRO P + 0 0 -68.9 128.2 -174.8 173.6 45.9 120.9 0 0.0 0 0.0 0 0.0 0 0.0 4 31
267 A 271 LEU L - 0 0 -140.4 149.0 176.2 -111.1 36.0 165.7 0 0.0 269 -0.5 0 0.0 0 0.0 7 34
268 A 272 GLN Q - 0 0 -83.8 121.3 176.2 -119.3 41.4 140.8 0 0.0 0 0.0 0 0.0 0 0.0 7 25
269 A 273 ARG R t > T - 0 0 -55.3 151.1 179.9 -121.2 14.2 99.7 267 -0.5 272 -1.1 0 0.0 0 0.0 8 31
270 A 274 ASP D T T 3 TS+ 0 0 -70.1 -25.6 179.2 58.3 112.7 42.9 242 -2.3 0 0.0 0 0.0 0 0.0 11 42
271 A 275 ASP D T T 3 T 0 0 -94.5 30.4 179.8 999.9 999.9 93.9 0 0.0 0 0.0 0 0.0 0 0.0 8 32
272 A 276 GLU E t < T 0 0 -143.3 999.9 999.9 999.9 999.9 164.2 269 -1.1 0 0.0 0 0.0 0 0.0 4 23
2hhmA.pdb
2HHM HYDROLASE HUMAN INOSITOL MONOPHOSPHATASE (E.C.3.1.3.25) DIME HUMAN (HOMO SAPIENS) RECOMBINANT FORM EXPRESSED IN
author author
Kabs/Sand HHHHHHHHHHHHHHHHHHHHHTTS EEESSSTT EEEHHHHHHHHHHHHHHHHH TT EEEEHHHHHTT SS EEEEEEEETHHHHHHT S Kabs/Sand
chirality +++++++++++++++++++++++--------+-++-+--++++++++++++++++++++---+-+++++-+--+-+-+----+--+-+++++++-+-++ chirality
bends SSSSSSSSSSSSSSSSSSSSSSS SSSSS SSSSSSSSSSSSSSSSS SS SSSSSSS SS SSSSSSSSSS S bends
turns TTTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTT TTTTTTTTT TTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >>3<< >33< >33< >33< >33< >33< 3-turns
bridge-2 CCCCC**C bridge-2
bridge-1 AAA AAA bbbb bbbb bridge-1
sheets AAA AAA BBBB BBBBBBBB sheets
4-turns >>>>XXXXXXXXXXXXXXX<<<< >>>>XXXXXXXXXXX<<<< >>>4<<< >>>><<<< 4-turns
summary hHHHHHHHHHHHHHHHHHHHHHhTt eEEEeStTTeEEEHHHHHHHHHHHHHHHHHhTTtEEEEHHHHHhTt SSeEEEEEEEEhHHHHHHhtS summary
sequence WQECMDYAVTLARQAGEVVCEAIKNEMNVMLKSSPVDLVTATDQKVEKMLISSIKEKYPSHSFIGEESVAAGEKSILTDNPTWIIDPIDGTTNFVHRFPF sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEEEEEEETTEEEEEEEEETTTTEEEEEETTS EEETTEE GGG EEE S HHHHHHHHHHHHHHHTTT SEEE S HHHHHHHHH Kabs/Sand
chirality ---+---++-+-++--+---++-+--++--++------+------+++-+++---+----+-+-++++++++++++++++-------+-+-+++++++++ chirality
bends SSSS SSS SSS SSS SSS S SSSSSSSSSSSSSSSSS S S SSSSSSSSS bends
turns TTTT TTTTTT TTTT TTTT TTTTT TTTTTTTTTTTTTTTTTTTT TTTTTTTTTT turns
5-turns >5555< >55 5-turns
3-turns >33< >33< >33< >>3<< >33< >3 3-turns
bridge-2 DDDDDDDD EEEEEE FFF GG ii bridge-2
bridge-1 C*CCCCC DD*DDDDDD EEEEEE FFF GG hhh hhh bridge-1
sheets BBBBBBBB BBBBBBBBB BBBBBB BBB BB CCC CCC sheets
4-turns >444< >>>>XXXXXXXXX<>>>XXX<<< 4-turns
summary eEEEEEEEETTEEEEEEEEEeTTTEEEEEEeTteEEEeTEEe gGGGeEEEe S hHHHHHHHHHHHHHHHhTTtSEEE ShHHHHHHHHH summary
sequence VAVSIGFAVNKKIEFGVVYSCVEGKMYTARKGKGAFCNGQKLQVSQQEDITKSLLVTELGSSRTPETVRMVLSNMEKLFCIPVHGIRSVGTAAVNMCLVA sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand TTSSSEEEEES HHHHHHHHHHHHHTT EEE TTSS TTSSEEEEESSHHHHHHHHHH TT Kabs/Sand
chirality -++---++-++--+++++++++++++-+--+--+-+----++-++--+---++++++++++----+---+ chirality
bends SSSSS SS SSSSSSSSSSSSSSS SSSS SSSS SSSSSSSSSSSS S bends
turns TTT TTTTTTTTTTTTTTTTT TTTT TTTT TTTTTTTTTTTT TTTT turns
5-turns 55< >5555< 5-turns
3-turns 3< >>3<< >33< >33< >33< >33< 3-turns
bridge-2 JJJJJ KKK bridge-2
bridge-1 ii KKK JJJJJ bridge-1
sheets CCCCC CCC CCCCC sheets
4-turns < >>44XX>>XXX<<<< >>>>XXXX<<<< 4-turns
summary hTtSeEEEEEe hHHHHHHHHHHHHHhTtEEEtTTtS tTTteEEEEEehHHHHHHHHHHh tTTt summary
sequence TGGADAYYEMGIHCWDVAGAGIIVTEAGGVLMDVTGGPFDLMSRRVIAANNRILAERIAKEIQVIPLQRDDE sequence
210 220 230 240 250 260 270