Secondary structure calculation program - copyright by David Keith Smith, 1989
1mpp-.pdb
1MPP HYDROLASE(ACID PROTEINASE) PEPSIN (RENIN) (E.C.3.4.23.23) (MUCOR PUSILLUS)
Sequence length - 357
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 GLY G 0 0 999.9 97.6 179.7 999.9 999.9 999.9 0 0.0 161 -2.6 0 0.0 0 0.0 8 29
2 1 SER S - 0 0 -130.7 147.4 179.9 -156.6 999.9 161.9 0 0.0 0 0.0 0 0.0 0 0.0 11 40
3 2 VAL V E E AA - 180 0 -127.3 126.0 -177.9 -168.1 14.3 171.7 180 -2.7 180 -3.8 0 0.0 0 0.0 13 43
4 3 ASP D E E AA + 179 0 -123.7 150.0 178.6 177.6 8.5 155.3 0 0.0 0 0.0 0 0.0 0 0.0 10 46
5 4 THR T E E AA - 178 0 -143.2 150.3 174.2 -93.2 38.9 177.9 178 -2.7 178 -3.1 0 0.0 0 0.0 11 50
6 5 PRO P E E AA - 177 0 -62.5 143.0 -176.7 -154.0 32.1 111.2 0 0.0 0 0.0 0 0.0 0 0.0 11 44
7 6 GLY G E E AA - 176 0 -119.6 102.5 -175.6 -163.1 16.4 173.7 176 -1.7 176 -2.1 0 0.0 0 0.0 14 58
8 7 LEU L E E AAB - 175 17 -104.5 138.3 -179.1 -136.4 11.6 146.1 17 -2.7 17 -2.7 0 0.0 0 0.0 13 50
9 8 TYR Y E E A B - 0 16 -92.0 130.5 176.4 -148.5 7.6 138.0 174 -2.0 11 -0.8 0 0.0 0 0.0 14 49
10 9 ASP D E E >A B >T - 0 15 -93.3 103.8 -177.8 -171.9 11.0 151.4 15 -3.2 15 -1.5 0 0.0 14 -1.2 11 50
11 10 PHE F T T 4 5TS+ 0 0 -71.9 -17.7 179.2 61.8 80.3 47.6 9 -0.8 0 0.0 0 0.0 0 0.0 7 42
12 11 ASP D T T 4 5TS+ 0 0 -76.3 -45.3 -179.1 18.4 122.0 20.0 0 0.0 0 0.0 0 0.0 0 0.0 5 34
13 11A LEU L T T 4 5TS- 0 0 -100.4 -2.4 -173.0 -125.4 100.6 60.9 0 0.0 0 0.0 0 0.0 0 0.0 7 42
14 12 GLU E T T < 5T + 0 0 53.8 51.9 175.5 125.6 69.0 21.8 10 -1.2 0 0.0 0 0.0 0 0.0 10 51
15 13 GLU E E E AB T + 92 27 -122.7 138.6 174.6 13.5 45.3 162.8 27 -1.9 27 -2.3 0 0.0 0 0.0 12 57
23 21 GLY G T e 5TS- 0 0 98.9 176.3 177.8 -43.0 92.8 100.3 91 -2.0 0 0.0 0 0.0 0 0.0 15 48
24 22 THR T T T 5TS+ 0 0 -120.9 104.8 -0.1 19.8 135.4 173.0 0 0.0 65 -2.4 0 0.0 0 0.0 11 32
25 23 PRO P T T 5TS- 0 0 -76.6 162.2 -175.9 -98.7 121.0 48.3 0 0.0 0 0.0 0 0.0 0 0.0 8 27
26 24 GLY G T T 5T - 0 0 -59.1 142.1 174.8 -155.2 26.5 100.5 0 0.0 0 0.0 0 0.0 0 0.0 10 37
27 25 GLN Q E E AC T + 0 130 -116.9 107.0 175.4 178.3 29.1 147.5 129 -2.7 131 -2.4 32 -0.9 37 -1.2 14 72
35 33 THR T T T 3 TS+ 0 0 -82.6 3.1 177.6 73.0 83.9 58.6 33 -0.6 0 0.0 0 0.0 0 0.0 14 69
36 34 GLY G T T 3 TS+ 0 0 -94.3 2.4 178.1 28.0 103.3 65.3 0 0.0 0 0.0 0 0.0 0 0.0 15 60
37 35 SER S t < T - 0 0 -151.2 173.4 -173.7 -142.5 62.8 156.0 34 -1.2 132 -2.2 0 0.0 131 -0.9 12 59
38 36 SER S + 0 0 -122.5 -10.0 -179.7 92.1 64.4 56.4 136 -0.5 0 0.0 0 0.0 0 0.0 16 58
39 37 ASP D - 0 0 -95.1 137.6 175.7 -151.4 56.0 133.7 0 0.0 41 -0.6 0 0.0 0 0.0 13 65
40 38 THR T e + 0 0 -99.7 113.3 -177.7 165.1 30.2 149.6 0 0.0 105 -2.0 0 0.0 0 0.0 11 77
41 39 TRP W E E AfA - 105 128 -139.5 159.7 179.4 -167.5 23.8 163.3 128 -2.0 128 -1.1 39 -0.6 0 0.0 11 78
42 40 VAL V E E Af - 106 0 -137.6 159.5 180.0 -88.7 38.6 157.2 105 -1.9 107 -1.7 0 0.0 0 0.0 14 74
43 41 PRO P E E Af - 107 0 -73.2 141.5 -178.6 -124.3 41.7 120.3 0 0.0 59 -3.1 0 0.0 0 0.0 15 62
44 42 HIS H B e b > T - 59 0 -86.9 132.2 178.5 -107.4 26.7 124.0 107 -2.6 47 -2.6 0 0.0 0 0.0 11 52
45 43 LYS K T T 3 TS+ 0 0 -56.6 135.4 -176.0 42.6 113.2 113.4 59 -2.9 0 0.0 0 0.0 0 0.0 7 39
46 44 GLY G T T 3 TS+ 0 0 110.2 -27.0 -178.4 127.1 81.0 83.0 0 0.0 0 0.0 0 0.0 0 0.0 5 29
47 45 CYS C t < T - 0 0 -73.4 128.4 -172.7 -138.8 54.7 127.0 44 -2.6 0 0.0 0 0.0 0 0.0 12 35
48 46 ASP D g >>T - 0 0 -86.4 155.4 176.2 -113.8 18.9 114.2 0 0.0 53 -1.9 0 0.0 51 -1.4 9 31
49 47 ASN N G G >5TS+ 0 0 -69.7 -22.3 176.2 58.5 120.5 26.4 0 0.0 52 -1.6 0 0.0 0 0.0 8 31
50 47A SER S G G 35TS+ 0 0 -76.8 -11.5 176.9 49.9 105.4 40.3 0 0.0 0 0.0 0 0.0 0 0.0 5 27
51 48 GLU E G G <5TS- 0 0 -100.6 7.4 -179.6 -92.8 132.4 71.5 48 -1.4 110 -3.1 0 0.0 0 0.0 10 34
52 49 GLY G T g <5TS+ 0 0 103.4 -7.1 176.7 120.2 90.1 72.7 49 -1.6 54 -1.3 0 0.0 0 0.0 13 41
53 50 CYS C t T - 0 0 -116.3 102.4 -177.1 -170.5 8.4 154.0 0 0.0 63 -1.5 0 0.0 0 0.0 8 44
61 58 PRO P G G > TS+ 0 0 -65.4 -24.9 178.3 67.3 85.5 35.2 0 0.0 64 -1.2 0 0.0 0 0.0 7 43
62 59 SER S G G 3 TS+ 0 0 -70.0 -17.5 177.6 49.3 100.7 40.1 0 0.0 0 0.0 0 0.0 0 0.0 5 24
63 60 SER S G G < TS+ 0 0 -97.2 1.9 179.8 83.8 96.1 64.3 60 -1.5 65 -0.6 0 0.0 0 0.0 8 25
64 61 SER S g X T - 0 0 -109.1 122.6 -177.4 -166.1 57.9 153.0 61 -1.2 67 -0.8 0 0.0 0 0.0 11 33
65 62 SER S T T 3 TS+ 0 0 -79.9 -7.5 -177.2 49.2 89.1 57.1 24 -2.4 0 0.0 63 -0.6 0 0.0 8 24
66 63 THR T T T 3 TS+ 0 0 -109.1 5.5 -173.6 121.3 82.1 75.0 0 0.0 0 0.0 0 0.0 0 0.0 8 31
67 64 PHE F t < T + 0 0 -72.7 135.4 177.1 178.8 34.9 122.0 64 -0.8 0 0.0 0 0.0 0 0.0 12 39
68 65 LYS K E E AG - 89 0 -139.9 119.3 176.3 -136.0 22.5 163.2 89 -1.9 89 -2.9 0 0.0 0 0.0 7 31
69 66 GLU E E E AG - 88 0 -68.0 143.9 177.4 -150.5 17.2 110.9 0 0.0 0 0.0 0 0.0 0 0.0 8 33
70 67 THR T E E A* - 0 0 -104.6 177.7 178.1 -116.0 24.2 132.3 87 -1.8 0 0.0 0 0.0 0 0.0 8 27
71 68 ASP D E E A* S+ 0 0 -102.5 24.8 179.0 102.9 84.4 88.5 0 0.0 0 0.0 0 0.0 0 0.0 6 26
72 69 TYR Y E E A* - 0 0 -108.7 144.5 178.9 -142.4 62.6 153.5 0 0.0 87 -2.6 0 0.0 0 0.0 7 33
73 70 ASN N E E AG - 86 0 -101.4 146.8 176.3 -136.0 9.7 137.3 0 0.0 75 -0.6 0 0.0 0 0.0 9 41
74 71 LEU L E E AG + 85 0 -95.6 116.8 178.9 163.7 32.2 153.9 85 -1.7 85 -2.2 0 0.0 0 0.0 13 50
75 72 ASN N E E AG + 84 0 -136.6 89.4 -173.7 173.5 18.3 147.8 73 -0.6 0 0.0 0 0.0 0 0.0 11 44
76 73 ILE I E E AG - 83 0 -109.2 134.3 176.2 -161.1 21.3 159.0 83 -2.7 83 -2.6 0 0.0 0 0.0 8 49
77 74 THR T E E AG - 82 0 -108.7 138.1 -178.7 -171.9 9.8 151.8 0 0.0 0 0.0 0 0.0 0 0.0 8 36
78 75 TYR Y e - 0 0 -115.5 179.7 177.6 -93.7 45.7 131.3 81 -4.2 0 0.0 0 0.0 0 0.0 6 42
79 76 GLY G S S S+ 0 0 -56.8 -48.4 175.8 26.3 126.4 13.5 0 0.0 81 -0.5 0 0.0 0 0.0 4 34
80 77 THR T S S S- 0 0 -112.3 122.0 178.5 -27.8 131.5 168.3 0 0.0 0 0.0 0 0.0 0 0.0 8 27
81 78 GLY G e - 0 0 76.4 -166.7 -178.8 -141.4 56.6 94.1 79 -0.5 78 -4.2 0 0.0 0 0.0 10 31
82 79 GLY G E E AGH - 77 111 179.9 -179.6 -178.8 -132.0 6.1 167.7 111 -0.9 111 -2.7 0 0.0 0 0.0 11 44
83 80 ALA A E E AGH - 76 110 -155.1 160.4 -179.7 -148.5 5.1 165.5 76 -2.6 76 -2.7 0 0.0 0 0.0 13 52
84 81 ASN N E E AGH + 75 109 -134.0 136.8 176.3 102.7 39.0 170.9 109 -1.6 108 -2.4 0 0.0 109 -1.4 12 46
85 82 GLY G E E AGH - 74 107 -173.5 -141.0 -176.5 -63.7 58.4 147.4 74 -2.2 74 -1.7 0 0.0 0 0.0 12 49
86 83 ILE I E E AGH - 73 106 -140.8 144.6 178.2 -125.9 31.2 167.8 106 -1.8 106 -2.0 0 0.0 0 0.0 13 46
87 84 TYR Y E E A*H + 0 105 -88.6 141.1 178.5 165.8 36.3 135.7 72 -2.6 70 -1.8 0 0.0 0 0.0 14 56
88 85 PHE F E E AGH - 69 104 -139.9 173.6 176.4 -121.8 31.6 149.4 104 -2.6 104 -2.8 0 0.0 0 0.0 12 50
89 86 ARG R E E AGH + 68 103 -118.4 140.0 173.0 138.7 43.9 162.3 68 -2.9 68 -1.9 0 0.0 0 0.0 13 49
90 87 ASP D E E A H - 0 102 -159.7 -177.3 176.6 -76.1 55.4 158.2 102 -1.7 102 -2.0 0 0.0 0 0.0 14 50
91 88 SER S E E A * - 0 0 -83.6 143.6 174.1 -167.8 41.0 124.9 0 0.0 23 -2.0 0 0.0 0 0.0 14 50
92 89 ILE I E E ADH - 22 99 -129.4 133.9 -177.6 -159.7 3.1 175.5 99 -2.3 99 -2.6 0 0.0 0 0.0 14 61
93 90 THR T E E ADH + 21 98 -119.3 130.4 177.0 175.0 12.4 165.0 21 -3.3 21 -2.0 0 0.0 0 0.0 12 54
94 91 VAL V E E A H> TS- 0 97 -132.8 131.9 -178.4 -9.8 74.6 173.8 97 -2.0 97 -2.3 0 0.0 0 0.0 11 59
95 92 GLY G T T 3 TS- 0 0 50.8 37.7 -179.3 -55.6 130.1 34.9 0 0.0 0 0.0 0 0.0 0 0.0 9 44
96 93 GLY G T T 3 TS+ 0 0 85.3 -13.6 179.4 113.6 112.8 64.6 0 0.0 0 0.0 0 0.0 0 0.0 6 37
97 94 ALA A E E A H< T - 0 94 -95.8 130.0 -178.9 -150.6 54.9 143.9 94 -2.3 94 -2.0 0 0.0 99 -0.7 9 42
98 95 THR T E E A H - 0 93 -110.3 124.0 174.9 -157.5 3.5 154.9 0 0.0 0 0.0 0 0.0 0 0.0 9 45
99 96 VAL V E E A H - 0 92 -89.8 130.1 -179.9 -138.4 20.0 142.0 92 -2.6 92 -2.3 97 -0.7 0 0.0 13 46
100 97 LYS K E E A * S+ 0 0 -98.5 142.2 178.0 1.1 72.8 136.2 0 0.0 0 0.0 0 0.0 0 0.0 7 41
101 98 GLN Q E E A * S+ 0 0 56.3 40.6 175.5 170.6 79.7 36.2 0 0.0 0 0.0 0 0.0 0 0.0 8 43
102 99 GLN Q E E A H - 0 90 -76.5 134.7 175.1 -117.5 38.5 123.2 90 -2.0 90 -1.7 0 0.0 0 0.0 13 56
103 100 THR T E E A H + 0 89 -78.2 135.1 -176.9 154.9 51.0 136.2 0 0.0 0 0.0 0 0.0 0 0.0 11 58
104 101 LEU L E E A H - 0 88 -141.4 178.5 174.2 -135.3 29.0 139.7 88 -2.8 88 -2.6 0 0.0 0 0.0 11 71
105 102 ALA A E E AfH - 41 87 -146.3 161.8 176.7 -149.5 2.9 159.6 40 -2.0 42 -1.9 0 0.0 0 0.0 14 66
106 103 TYR Y E E AfH - 42 86 -118.9 150.0 -177.5 -137.9 23.1 156.7 86 -2.0 86 -1.8 0 0.0 0 0.0 13 65
107 104 VAL V E E AfH - 43 85 -120.2 144.7 177.6 -170.1 19.5 162.1 42 -1.7 44 -2.6 0 0.0 0 0.0 15 59
108 105 ASP D E E A * S+ 0 0 -102.2 -10.1 175.5 22.9 84.9 72.2 84 -2.4 0 0.0 0 0.0 0 0.0 12 44
109 106 ASN N E E A H + 0 84 -157.1 141.9 -179.4 172.8 66.8 162.0 84 -1.4 84 -1.6 0 0.0 0 0.0 13 44
110 107 VAL V E E A H - 0 83 -151.9 148.7 175.8 -172.5 9.3 171.9 51 -3.1 0 0.0 0 0.0 0 0.0 14 48
111 108 SER S E E A H + 0 82 -131.6 153.5 -180.0 55.8 48.1 162.0 82 -2.7 82 -0.9 0 0.0 0 0.0 13 40
112 110 GLY G S g > > TS- 0 0 125.5 -172.9 -177.1 -25.7 101.4 147.4 0 0.0 116 -1.0 0 0.0 115 -0.9 9 41
113 111 PRO P G G 4 > TS+ 0 0 -52.9 -45.6 178.5 53.5 131.0 32.6 0 0.0 116 -0.8 0 0.0 0 0.0 9 47
114 112 THR T G G 4 3 TS+ 0 0 -62.3 -27.5 179.3 50.4 110.4 40.7 0 0.0 0 0.0 0 0.0 0 0.0 11 65
115 113 ALA A G G 4 < TS+ 0 0 -83.3 -17.7 -175.3 50.5 108.4 47.0 112 -0.9 0 0.0 0 0.0 0 0.0 10 48
116 114 GLU E S g < < TS+ 0 0 -104.6 12.6 177.6 116.5 82.4 65.8 112 -1.0 0 0.0 113 -0.8 0 0.0 8 36
117 115 GLN Q S S S- 0 0 -65.3 159.2 174.5 -107.8 74.0 110.0 0 0.0 0 0.0 0 0.0 0 0.0 10 39
118 115A SER S t > T - 0 0 -89.5 133.4 177.5 -138.9 19.0 136.1 0 0.0 121 -2.0 0 0.0 0 0.0 7 28
119 115B PRO P T T 3 TS+ 0 0 -64.1 -12.9 178.3 58.0 104.7 51.8 0 0.0 0 0.0 0 0.0 0 0.0 8 29
120 115C ASP D T T 3 TS+ 0 0 -97.5 5.3 -178.1 126.8 76.9 63.2 0 0.0 0 0.0 0 0.0 0 0.0 5 22
121 115D SER S t < T - 0 0 -59.6 147.9 -177.8 -123.2 69.8 106.0 118 -2.0 0 0.0 0 0.0 0 0.0 8 27
122 115E GLU E S S S+ 0 0 -59.9 -37.8 177.9 32.0 104.7 27.7 0 0.0 124 -0.5 0 0.0 0 0.0 4 29
123 115F LEU L S S S- 0 0 -124.8 121.6 -179.2 -167.8 77.0 168.9 0 0.0 125 -0.5 0 0.0 0 0.0 5 43
124 116 PHE F - 0 0 -113.2 124.0 174.8 -143.6 15.0 164.7 122 -0.5 126 -0.7 0 0.0 0 0.0 11 47
125 117 LEU L - 0 0 -83.3 101.0 -177.2 -171.8 15.1 144.6 123 -0.5 0 0.0 0 0.0 0 0.0 11 56
126 118 ASP D - 0 0 -70.3 -37.7 -178.8 -32.9 61.2 41.7 30 -1.9 0 0.0 124 -0.7 0 0.0 13 68
127 119 GLY G E E Ae S- 31 0 -159.9 -153.0 -177.8 -70.5 74.8 151.1 30 -0.9 32 -2.7 0 0.0 0 0.0 13 73
128 120 ILE I E E AeA - 32 41 -128.9 148.8 178.7 -150.7 16.5 153.8 41 -1.1 41 -2.0 0 0.0 130 -0.6 13 78
129 121 PHE F E E Ae - 33 0 -112.8 111.2 -176.6 -144.5 25.9 166.8 32 -3.1 34 -2.7 0 0.0 0 0.0 13 72
130 122 GLY G E E Ae + 34 0 -83.4 129.0 -179.1 166.5 28.3 135.2 128 -0.6 0 0.0 0 0.0 0 0.0 14 70
131 123 ALA A e + 0 0 -131.4 24.6 174.8 101.7 42.4 84.6 34 -2.4 0 0.0 37 -0.9 0 0.0 14 68
132 124 ALA A S S S- 0 0 -92.5 -166.6 -176.1 -60.5 86.2 100.7 37 -2.2 0 0.0 0 0.0 0 0.0 13 65
133 125 TYR Y g > T - 0 0 -79.9 153.0 -179.4 -113.1 45.6 113.6 205 -1.6 136 -2.2 0 0.0 0 0.0 13 58
134 126 PRO P G G > TS+ 0 0 -55.3 -33.3 -179.3 63.3 112.2 36.4 0 0.0 137 -1.5 0 0.0 0 0.0 11 49
135 127 ASP D G G 3 TS+ 0 0 -70.3 -10.5 -178.3 66.8 92.7 47.8 204 -0.5 0 0.0 0 0.0 0 0.0 9 42
136 128 ASN N G G < TS+ 0 0 -91.6 16.5 179.1 117.1 74.0 72.7 133 -2.2 38 -0.5 0 0.0 0 0.0 13 49
137 129 THR T S h > < TS- 0 0 -75.8 164.4 176.2 -122.8 73.7 112.9 134 -1.5 141 -1.2 0 0.0 0 0.0 12 54
138 130 ALA A H H > TS+ 0 0 -71.1 -30.3 -179.5 66.2 111.9 34.4 0 0.0 142 -2.3 0 0.0 0 0.0 11 50
139 131 MET M H H > TS+ 0 0 -57.3 -42.9 -177.2 50.0 100.6 22.3 0 0.0 143 -2.8 0 0.0 145 -0.8 13 47
140 131A GLU E H H > TS+ 0 0 -66.2 -37.8 -177.1 47.2 109.9 28.8 0 0.0 144 -1.0 0 0.0 0 0.0 11 38
141 131B ALA A H H < TS+ 0 0 -71.3 -30.2 -179.3 37.0 122.4 35.7 137 -1.2 0 0.0 0 0.0 0 0.0 8 28
142 131C GLU E H H < TS+ 0 0 -83.2 -45.2 -171.1 14.3 135.7 29.1 138 -2.3 0 0.0 0 0.0 0 0.0 7 27
143 131D TYR Y H H < TS- 0 0 -111.9 -14.7 -179.0 -123.7 90.9 64.4 139 -2.8 0 0.0 0 0.0 0 0.0 6 22
144 131E GLY G S h < TS+ 0 0 75.2 12.6 177.6 104.3 80.1 49.9 140 -1.0 0 0.0 0 0.0 0 0.0 7 22
145 131F ASP D - 0 0 -119.8 158.8 178.3 -174.7 48.6 158.7 139 -0.8 0 0.0 0 0.0 0 0.0 6 26
146 132 THR T - 0 0 -140.9 -174.6 -179.2 -147.9 11.3 134.6 0 0.0 0 0.0 0 0.0 0 0.0 9 42
147 133 TYR Y - 0 0 -147.5 172.5 177.1 -82.4 34.9 159.5 0 0.0 0 0.0 0 0.0 0 0.0 6 49
148 134 ASN N - 0 0 -88.6 138.5 179.8 -130.1 43.2 131.5 0 0.0 0 0.0 0 0.0 0 0.0 10 48
149 135 THR T h > T - 0 0 -70.6 171.8 179.0 -94.4 33.2 101.9 0 0.0 153 -2.1 0 0.0 0 0.0 15 61
150 136 VAL V H H > TS+ 0 0 -58.5 -47.5 -179.2 51.2 123.7 26.2 0 0.0 154 -2.0 0 0.0 0 0.0 10 70
151 137 HIS H H H > TS+ 0 0 -61.7 -37.0 175.9 48.9 109.8 31.4 0 0.0 155 -0.9 0 0.0 0 0.0 10 71
152 138 VAL V H H > TS+ 0 0 -68.1 -40.3 -178.5 50.1 111.3 27.7 0 0.0 156 -2.6 0 0.0 0 0.0 9 59
153 139 ASN N H H X TS+ 0 0 -67.8 -31.5 177.9 62.6 100.7 37.7 149 -2.1 157 -3.3 0 0.0 0 0.0 12 49
154 140 LEU L H H < >TS+ 0 0 -60.8 -38.8 179.4 37.2 113.4 29.5 150 -2.0 159 -1.7 0 0.0 160 -1.6 12 52
155 141 TYR Y H H < >5TS+ 0 0 -77.3 -45.6 -176.0 49.9 116.4 28.6 151 -0.9 158 -0.9 0 0.0 0 0.0 13 43
156 142 LYS K H H < 35TS+ 0 0 -67.5 -32.0 179.4 46.8 113.6 29.1 152 -2.6 0 0.0 0 0.0 0 0.0 7 32
157 143 GLN Q T h < 35TS- 0 0 -89.7 9.3 174.7 -118.2 115.6 68.0 153 -3.3 0 0.0 0 0.0 0 0.0 7 32
158 144 GLY G T T <5TS+ 0 0 73.9 15.2 177.6 128.7 75.9 43.3 155 -0.9 0 0.0 0 0.0 0 0.0 8 31
159 145 LEU L S t T - 0 0 -80.0 98.8 -177.1 -162.7 26.1 134.3 0 0.0 187 -2.8 0 0.0 0 0.0 7 43
185 172 ASN N G G > TS+ 0 0 -58.2 -20.9 -179.7 72.5 80.5 40.0 183 -1.2 188 -1.3 0 0.0 0 0.0 5 35
186 173 THR T G G 3 TS+ 0 0 -70.5 -20.6 -178.3 50.6 94.0 33.9 0 0.0 0 0.0 0 0.0 0 0.0 5 29
187 174 LEU L G G < TS+ 0 0 -89.9 -3.0 -173.7 115.5 83.8 56.9 184 -2.8 351 -3.0 0 0.0 0 0.0 9 39
188 175 LEU L B B C < T - 350 0 -72.4 119.1 175.7 -175.2 41.6 125.7 185 -1.3 0 0.0 0 0.0 0 0.0 13 37
189 176 GLY G S S S- 0 0 -84.2 -7.5 175.8 -20.4 76.5 63.1 349 -3.2 0 0.0 0 0.0 0 0.0 9 31
190 177 GLY G S S S- 0 0 -177.9 -175.1 178.7 -47.8 96.9 169.7 349 -0.5 0 0.0 0 0.0 0 0.0 8 30
191 178 ASP D - 0 0 -71.9 164.9 178.9 -99.9 60.3 105.6 0 0.0 0 0.0 0 0.0 0 0.0 6 30
192 179 ILE I - 0 0 -82.4 127.8 177.3 -157.5 31.7 135.8 0 0.0 0 0.0 0 0.0 0 0.0 8 42
193 180 GLN Q E E AK - 347 0 -110.0 130.6 -177.6 -150.4 14.8 169.1 347 -2.7 347 -2.7 0 0.0 0 0.0 9 45
194 181 TYR Y E E AK - 346 0 -106.7 149.6 171.8 -174.9 17.8 135.4 0 0.0 285 -2.9 0 0.0 0 0.0 11 50
195 182 THR T E E AK - 345 0 -125.8 155.3 177.4 -108.3 33.8 150.6 345 -2.4 345 -2.6 0 0.0 0 0.0 15 50
196 183 ASP D E E AK - 344 0 -87.4 145.4 176.4 -115.4 30.6 133.5 0 0.0 0 0.0 0 0.0 0 0.0 13 49
197 184 VAL V e - 0 0 -76.7 145.6 178.3 -130.5 30.2 125.9 343 -2.6 0 0.0 0 0.0 0 0.0 11 50
198 185 LEU L E E BL - 208 0 -98.1 141.1 174.1 -130.9 13.0 149.5 208 -2.4 208 -0.5 0 0.0 0 0.0 10 47
199 186 LYS K E E B* - 0 0 -76.3 160.1 175.0 -162.3 19.6 108.5 0 0.0 0 0.0 0 0.0 0 0.0 9 33
200 186A SER S E E BL > T + 203 0 -143.4 139.8 -177.9 1.6 68.0 160.5 203 -2.8 203 -2.2 0 0.0 0 0.0 7 29
201 186B ARG R T T 3 TS- 0 0 51.0 44.4 179.9 -48.7 135.6 30.1 0 0.0 0 0.0 0 0.0 0 0.0 4 17
202 186C GLY G T T 3 TS+ 0 0 85.1 -15.6 -177.5 27.9 122.4 70.0 0 0.0 0 0.0 0 0.0 0 0.0 5 15
203 186D GLY G E E BL < TS- 200 0 -158.0 -157.8 -178.1 -51.9 93.2 138.4 200 -2.2 200 -2.8 0 0.0 205 -0.6 7 28
204 187 TYR Y E E B* + 0 0 -100.8 115.0 179.7 138.1 56.9 153.2 0 0.0 135 -0.5 0 0.0 0 0.0 11 44
205 188 PHE F E E B* + 0 0 -116.8 -64.6 -179.6 14.8 65.7 48.0 203 -0.6 133 -1.6 0 0.0 0 0.0 11 48
206 189 PHE F E E B* S- 0 0 -109.3 172.4 176.0 -99.8 81.9 123.6 0 0.0 208 -1.4 0 0.0 0 0.0 12 53
207 190 TRP W E E B* + 0 0 -92.6 84.0 -177.6 175.0 56.4 137.6 0 0.0 232 -2.7 0 0.0 0 0.0 15 66
208 191 ASP D E E BLM - 198 231 -92.0 119.2 -178.7 -158.1 14.4 149.7 206 -1.4 198 -2.4 198 -0.5 0 0.0 11 62
209 192 ALA A E E B M - 0 230 -102.7 153.7 -179.5 -116.7 21.5 139.1 230 -2.9 230 -2.2 0 0.0 211 -1.0 14 63
210 193 PRO P E E B M - 0 229 -88.5 108.8 179.1 -169.9 32.2 136.2 0 0.0 283 -2.4 0 0.0 0 0.0 14 53
211 194 VAL V E E BNM - 282 228 -97.6 128.9 178.6 -175.3 12.4 146.1 228 -2.5 228 -2.5 209 -1.0 0 0.0 13 56
212 195 THR T E E B** - 0 0 -94.4 -21.6 179.9 -41.2 61.8 48.1 281 -3.3 224 -2.4 0 0.0 0 0.0 13 44
213 196 GLY G E E BNM - 281 223 179.2 -177.2 179.1 -102.2 52.3 171.3 281 -1.4 281 -2.7 0 0.0 0 0.0 12 44
214 197 VAL V E E BNM - 280 222 -131.9 132.6 178.1 -159.6 27.4 173.6 222 -2.4 221 -2.8 0 0.0 222 -2.0 13 53
215 198 LYS K E E BNM - 279 220 -113.7 135.3 174.4 -157.6 6.8 165.6 279 -2.3 279 -2.0 0 0.0 217 -0.6 13 40
216 199 ILE I E E BNM> TS- 278 219 -111.9 111.5 -174.4 -21.3 85.0 166.5 219 -2.8 219 -1.5 0 0.0 0 0.0 14 38
217 200 ASP D T e 3 TS- 0 0 58.6 43.2 177.8 -49.8 129.2 30.5 277 -1.6 0 0.0 215 -0.6 0 0.0 8 30
218 201 GLY G T T 3 TS+ 0 0 85.9 -19.8 179.3 110.2 116.8 75.0 0 0.0 0 0.0 0 0.0 0 0.0 6 29
219 202 SER S E E BM < TS- 216 0 -99.4 138.6 179.9 -112.0 75.6 143.1 216 -1.5 216 -2.8 0 0.0 0 0.0 6 25
220 203 ASP D E E BM + 215 0 -65.0 114.8 177.4 165.8 39.7 122.1 0 0.0 0 0.0 0 0.0 0 0.0 9 35
221 204 ALA A E E B* S+ 0 0 -103.7 -21.3 178.5 20.4 75.2 52.7 214 -2.8 0 0.0 0 0.0 0 0.0 11 35
222 205 VAL V E E BM + 214 0 -145.4 133.2 178.5 179.8 63.7 169.5 214 -2.0 214 -2.4 0 0.0 0 0.0 10 40
223 205A SER S E E BM - 213 0 -136.2 122.4 178.8 -153.5 14.2 166.3 0 0.0 0 0.0 0 0.0 0 0.0 8 35
224 206 PHE F E E B* - 0 0 -92.1 156.6 176.7 -122.4 21.9 124.4 212 -2.4 226 -1.0 0 0.0 0 0.0 9 32
225 207 ASP D E E B* S- 0 0 -93.4 100.8 -175.4 -6.8 93.3 153.3 0 0.0 0 0.0 0 0.0 0 0.0 5 20
226 208 GLY G E E B* S- 0 0 91.4 148.6 -178.7 -54.6 113.7 89.8 224 -1.0 0 0.0 0 0.0 0 0.0 5 24
227 209 ALA A E E B* - 0 0 -70.4 140.6 177.0 -147.5 49.0 117.0 0 0.0 0 0.0 0 0.0 0 0.0 9 38
228 210 GLN Q E E BM - 211 0 -107.9 133.8 176.1 -116.5 23.2 157.7 211 -2.5 211 -2.5 0 0.0 0 0.0 8 41
229 211 ALA A E E BM - 210 0 -68.6 122.9 172.4 -170.5 28.2 123.2 0 0.0 231 -0.5 0 0.0 0 0.0 10 49
230 212 PHE F E E BM - 209 0 -111.5 120.3 -178.2 -133.0 22.2 167.1 209 -2.2 209 -2.9 0 0.0 232 -0.6 12 58
231 213 THR T E E BMo - 208 325 -77.4 119.1 175.7 -140.2 9.7 126.2 324 -2.7 326 -2.2 229 -0.5 233 -1.0 12 59
232 214 ILE I E E B o + 0 326 -78.6 103.3 -173.8 176.8 33.0 130.0 207 -2.7 234 -0.5 230 -0.6 0 0.0 13 70
233 215 ASP D E E B o> T + 0 327 -123.6 97.0 177.5 179.9 28.3 140.8 326 -2.3 236 -1.6 231 -1.0 328 -0.6 13 61
234 216 THR T T T 3 TS+ 0 0 -64.7 -18.1 -177.8 65.3 84.8 45.7 232 -0.5 0 0.0 0 0.0 0 0.0 15 67
235 217 GLY G T T 3 TS+ 0 0 -90.6 6.4 174.9 66.5 93.1 65.5 0 0.0 0 0.0 0 0.0 0 0.0 13 63
236 218 THR T t < T - 0 0 -118.9 145.8 -179.8 -159.1 66.6 166.7 233 -1.6 328 -2.9 0 0.0 0 0.0 12 55
237 219 ASN N + 0 0 -87.4 -55.3 -177.7 60.2 67.4 18.7 0 0.0 329 -2.4 0 0.0 0 0.0 10 49
238 220 PHE F S e S- 0 0 -76.2 166.7 175.8 -112.4 85.6 95.0 0 0.0 240 -0.9 0 0.0 327 -0.6 12 52
239 221 PHE F E E BpQ - 316 326 -95.2 102.1 -177.3 -157.6 41.8 148.5 315 -2.1 317 -2.7 0 0.0 0 0.0 15 59
240 222 ILE I E E BpQ + 317 325 -89.3 133.4 -178.5 148.9 23.7 133.1 325 -2.6 325 -2.3 238 -0.9 0 0.0 13 51
241 223 ALA A E E Bp - 318 0 -160.3 158.2 -178.3 -77.9 51.2 168.9 317 -2.1 319 -3.0 0 0.0 0 0.0 16 47
242 224 PRO P E E >Bp > T - 319 0 -60.8 138.6 -178.4 -117.2 46.8 107.7 0 0.0 246 -1.9 0 0.0 245 -0.8 13 35
243 225 SER S H H > 3 TS+ 0 0 -50.2 -28.7 -179.9 61.8 113.6 28.0 319 -2.7 247 -2.6 0 0.0 0 0.0 10 33
244 226 SER S H H > 3 TS+ 0 0 -70.3 -35.4 174.6 44.7 105.3 15.9 0 0.0 248 -1.4 0 0.0 0 0.0 7 32
245 227 PHE F H H > < TS+ 0 0 -66.0 -44.3 -178.5 52.7 113.0 24.3 242 -0.8 249 -1.6 0 0.0 0 0.0 10 49
246 228 ALA A H H X TS+ 0 0 -58.8 -43.1 -179.1 51.6 107.3 23.7 242 -1.9 250 -2.9 0 0.0 0 0.0 12 57
247 229 GLU E H H X TS+ 0 0 -58.1 -44.0 -177.1 52.9 108.1 21.4 243 -2.6 251 -3.1 0 0.0 0 0.0 9 40
248 230 LYS K H H X TS+ 0 0 -61.3 -39.6 -178.8 43.4 111.4 26.1 244 -1.4 252 -1.3 0 0.0 0 0.0 10 39
249 231 VAL V H H X TS+ 0 0 -73.5 -41.5 -179.8 51.6 113.0 22.6 245 -1.6 253 -2.7 0 0.0 0 0.0 13 54
250 232 VAL V H H X TS+ 0 0 -62.5 -40.1 179.2 55.9 105.6 20.2 246 -2.9 254 -2.7 0 0.0 0 0.0 10 50
251 233 LYS K H H < TS+ 0 0 -57.8 -41.1 179.8 39.0 115.4 24.1 247 -3.1 0 0.0 0 0.0 0 0.0 8 34
252 234 ALA A H H < TS+ 0 0 -83.6 -28.0 -173.3 25.1 129.8 27.1 248 -1.3 0 0.0 0 0.0 0 0.0 9 37
253 235 ALA A H H < TS+ 0 0 -109.4 -23.1 -179.3 22.8 133.1 47.2 249 -2.7 0 0.0 0 0.0 0 0.0 9 50
254 235A LEU L h < > T + 0 0 -142.1 65.7 -179.7 167.3 64.7 117.2 250 -2.7 257 -2.5 0 0.0 0 0.0 9 48
255 235B PRO P T T 3 TS+ 0 0 -53.3 -30.0 -178.5 54.1 77.6 37.8 0 0.0 0 0.0 0 0.0 0 0.0 7 27
256 236 ASP D T T 3 TS+ 0 0 -92.4 12.3 179.3 128.4 78.9 64.1 0 0.0 0 0.0 0 0.0 0 0.0 5 30
257 237 ALA A t < T - 0 0 -64.0 151.2 175.1 -128.4 57.0 111.1 254 -2.5 0 0.0 0 0.0 0 0.0 9 40
258 238 THR T E E CR - 265 0 -99.5 131.0 179.3 -139.5 22.4 148.0 265 -2.6 265 -1.8 0 0.0 0 0.0 7 36
259 239 GLU E E E CR + 264 0 -94.3 138.2 178.5 161.0 28.5 131.7 0 0.0 0 0.0 0 0.0 0 0.0 8 32
260 240 SER S E E CR > T - 263 0 -142.6 171.0 -178.6 -97.9 57.5 153.8 263 -1.4 263 -1.8 0 0.0 0 0.0 6 25
261 241 GLN Q T T 3 TS+ 0 0 -60.7 -34.1 -179.3 59.2 125.0 27.0 0 0.0 0 0.0 0 0.0 0 0.0 4 23
262 243 GLN Q T T 3 TS- 0 0 -71.5 -6.0 -179.7 -94.1 119.3 76.4 0 0.0 0 0.0 0 0.0 0 0.0 6 31
263 244 GLY G E E CR < T - 260 0 119.4 -162.4 -173.1 -40.6 59.4 150.0 260 -1.8 260 -1.4 0 0.0 0 0.0 11 42
264 245 TYR Y E E CR - 259 0 -118.1 138.2 179.8 -171.2 48.3 164.9 0 0.0 314 -2.9 0 0.0 0 0.0 11 48
265 246 THR T E E CRS + 258 313 -122.5 158.2 176.2 175.5 7.9 145.9 258 -1.8 258 -2.6 0 0.0 0 0.0 11 43
266 247 VAL V E E C S - 0 312 -145.9 157.1 178.3 -88.2 47.7 158.4 312 -1.9 312 -3.4 0 0.0 0 0.0 13 42
267 248 PRO P E E >C S> T - 0 311 -68.7 137.3 -179.5 -130.8 40.1 126.0 0 0.0 270 -1.4 0 0.0 271 -0.7 9 35
268 249 CYS C H H > 3 TS+ 0 0 -59.4 -27.5 -171.7 61.0 100.3 37.5 310 -2.4 272 -1.1 0 0.0 0 0.0 13 33
269 250 SER S H H 4 3 TS+ 0 0 -74.6 -17.0 -177.3 67.6 91.6 37.0 310 -0.5 0 0.0 0 0.0 0 0.0 7 29
270 251 LYS K H H 4 < TS+ 0 0 -65.2 -38.5 -178.6 22.7 116.0 28.1 267 -1.4 0 0.0 0 0.0 0 0.0 8 31
271 252 TYR Y H H < > TS+ 0 0 -107.7 0.5 -179.9 111.2 88.3 58.3 267 -0.7 274 -2.5 0 0.0 0 0.0 9 39
272 253 GLN Q T h < 3 TS+ 0 0 -38.7 -52.0 -179.0 27.5 94.8 37.4 268 -1.1 0 0.0 0 0.0 0 0.0 7 30
273 254 ASP D T T 3 TS+ 0 0 -102.6 22.8 -179.0 146.2 90.2 84.7 0 0.0 0 0.0 0 0.0 0 0.0 7 23
274 255 SER S t < T - 0 0 -60.4 141.7 179.6 -165.8 34.7 100.4 271 -2.5 0 0.0 0 0.0 0 0.0 9 31
275 255A LYS K + 0 0 -109.8 8.4 179.0 123.9 49.4 62.5 0 0.0 0 0.0 0 0.0 0 0.0 7 24
276 256 THR T e - 0 0 -68.9 134.1 -178.2 -150.5 49.7 109.9 0 0.0 298 -3.7 0 0.0 0 0.0 10 35
277 257 THR T E E B T - 0 297 -114.9 148.4 178.9 -148.5 11.2 141.9 0 0.0 217 -1.6 0 0.0 0 0.0 10 38
278 258 PHE F E E BNT - 216 296 -111.7 127.5 -179.2 -166.2 19.2 165.1 296 -3.0 296 -2.7 0 0.0 0 0.0 12 53
279 259 SER S E E BNT - 215 295 -126.9 124.5 175.1 -152.7 15.4 175.2 215 -2.0 215 -2.3 0 0.0 0 0.0 13 52
280 260 LEU L E E BNT - 214 294 -87.5 129.7 -177.8 -146.8 21.1 148.1 294 -2.6 294 -3.0 0 0.0 282 -0.6 11 67
281 261 VAL V E E BNT + 213 293 -110.3 114.5 -174.9 179.5 22.1 161.2 213 -2.7 212 -3.3 0 0.0 213 -1.4 13 53
282 262 LEU L E E BNT - 211 292 -110.1 150.1 174.8 -101.2 34.9 144.0 292 -2.2 292 -2.1 280 -0.6 0 0.0 14 52
283 263 GLN Q E E B T - 0 291 -69.5 146.0 178.6 -113.3 44.8 118.2 210 -2.4 0 0.0 0 0.0 0 0.0 16 42
284 263A LYS K e > T - 0 0 -77.3 141.9 -178.8 -94.9 38.9 121.8 290 -2.9 287 -1.5 0 0.0 0 0.0 14 39
285 263B SER S T T 3 TS+ 0 0 -57.2 129.1 179.0 11.6 110.2 105.5 194 -2.9 0 0.0 0 0.0 0 0.0 8 39
286 263C GLY G T T 3 TS+ 0 0 76.5 23.1 -179.6 106.4 108.5 41.3 0 0.0 0 0.0 0 0.0 0 0.0 6 24
287 263D SER S t < T - 0 0 -143.3 135.5 -179.4 -164.3 51.2 172.3 284 -1.5 0 0.0 0 0.0 0 0.0 8 24
288 263E SER S S S S+ 0 0 -81.8 -29.0 -176.6 19.9 96.4 40.2 0 0.0 0 0.0 0 0.0 0 0.0 6 23
289 263F SER S S S S+ 0 0 -111.0 -40.5 -177.9 95.4 100.8 35.2 0 0.0 0 0.0 0 0.0 0 0.0 6 24
290 263G ASP D e - 0 0 -58.0 145.4 -178.3 -164.5 50.8 93.4 0 0.0 284 -2.9 0 0.0 0 0.0 7 24
291 264 THR T E E BT - 283 0 -134.1 162.8 177.1 -147.9 13.1 150.6 0 0.0 0 0.0 0 0.0 0 0.0 9 38
292 265 ILE I E E BT - 282 0 -125.6 148.6 -179.2 -138.5 16.5 162.7 282 -2.1 282 -2.2 0 0.0 0 0.0 11 41
293 266 ASP D E E BT - 281 0 -112.6 137.9 178.6 -166.3 9.7 158.6 0 0.0 295 -0.6 0 0.0 0 0.0 8 47
294 267 VAL V E E BT - 280 0 -118.6 111.0 -172.6 -171.6 26.3 164.6 280 -3.0 280 -2.6 0 0.0 0 0.0 9 55
295 268 SER S E E BT + 279 0 -119.3 148.1 176.0 172.8 24.8 149.1 293 -0.6 0 0.0 0 0.0 0 0.0 8 53
296 269 VAL V E E BT - 278 0 -137.4 146.1 177.5 -105.9 40.9 171.3 278 -2.7 278 -3.0 0 0.0 0 0.0 10 50
297 270 PRO P E E BT > T - 277 0 -69.9 143.6 179.6 -122.7 32.7 122.3 0 0.0 300 -2.0 0 0.0 0 0.0 11 46
298 271 ILE I G e > TS+ 0 0 -58.5 -28.7 177.9 69.3 107.8 40.0 276 -3.7 301 -1.4 0 0.0 0 0.0 13 55
299 272 SER S G T > TS+ 0 0 -65.0 -21.1 -179.7 55.2 94.8 38.3 0 0.0 302 -0.7 0 0.0 0 0.0 11 45
300 273 LYS K G T < TS+ 0 0 -87.8 -0.6 178.2 64.1 99.8 54.8 297 -2.0 0 0.0 0 0.0 0 0.0 8 52
301 274 MET M G e < TS+ 0 0 -100.6 14.7 178.7 81.7 88.8 75.2 298 -1.4 315 -1.8 0 0.0 0 0.0 11 59
302 275 LEU L E E CU < T - 314 0 -120.7 129.2 176.8 -169.1 58.5 166.1 299 -0.7 0 0.0 0 0.0 0 0.0 11 54
303 276 LEU L E E CU - 313 0 -118.1 136.0 178.0 -113.7 28.4 161.2 313 -2.2 313 -3.6 0 0.0 0 0.0 10 48
304 277 PRO P E E CU - 312 0 -64.9 133.6 -177.7 -179.5 30.3 105.0 0 0.0 0 0.0 0 0.0 0 0.0 10 35
305 278 VAL V e + 0 0 -111.0 -17.8 -179.5 77.8 54.3 44.5 311 -3.0 0 0.0 0 0.0 0 0.0 8 30
306 278A ASP D S S S- 0 0 -96.1 161.6 -179.4 -121.9 81.0 123.4 311 -1.0 0 0.0 0 0.0 0 0.0 8 19
307 278B LYS K S S S+ 0 0 -51.2 -60.0 176.2 48.6 117.5 13.7 0 0.0 0 0.0 0 0.0 0 0.0 4 12
308 278C SER S S S S- 0 0 -52.2 -37.6 -178.3 -130.7 105.8 33.5 0 0.0 0 0.0 0 0.0 0 0.0 4 14
309 279 GLY G S S S+ 0 0 86.9 13.3 -179.6 116.5 74.4 45.1 0 0.0 0 0.0 0 0.0 0 0.0 9 21
310 280 GLU E e + 0 0 -90.3 -20.3 -175.2 59.4 66.0 37.1 0 0.0 268 -2.4 0 0.0 269 -0.5 9 23
311 281 THR T E E CS - 267 0 -115.3 126.8 -174.8 -164.1 68.4 155.3 0 0.0 305 -3.0 0 0.0 306 -1.0 11 32
312 282 CYS C E E CSU - 266 304 -111.7 140.9 177.3 -147.6 8.0 149.4 266 -3.4 266 -1.9 0 0.0 0 0.0 14 41
313 283 MET M E E CSU - 265 303 -106.3 145.8 177.7 -120.5 22.0 151.2 303 -3.6 303 -2.2 0 0.0 0 0.0 12 48
314 284 PHE F E E C U - 0 302 -80.8 135.2 -179.7 -131.0 16.5 128.7 264 -2.9 0 0.0 0 0.0 0 0.0 12 64
315 285 ILE I S e S+ 0 0 -63.3 -13.3 177.5 92.9 85.5 57.1 301 -1.8 239 -2.1 0 0.0 317 -0.9 11 59
316 286 VAL V E E Bp - 239 0 -89.9 105.1 -174.8 -166.5 63.7 134.3 0 0.0 0 0.0 0 0.0 0 0.0 10 62
317 287 LEU L E E Bp - 240 0 -99.9 122.4 179.7 -125.5 18.0 144.8 239 -2.7 241 -2.1 315 -0.9 0 0.0 14 48
318 288 PRO P E E Bp - 241 0 -73.0 127.4 -179.3 -173.8 32.1 118.2 0 0.0 0 0.0 0 0.0 0 0.0 13 38
319 289 ASP D E E Bp - 242 0 -114.9 171.9 -177.6 -133.9 31.6 126.9 241 -3.0 243 -2.7 0 0.0 0 0.0 10 34
320 290 GLY G S S S+ 0 0 -114.3 15.9 -179.7 79.4 81.1 91.4 0 0.0 0 0.0 0 0.0 0 0.0 7 23
321 291 GLY G S S S- 0 0 -101.9 -143.1 178.7 -111.0 89.1 88.3 0 0.0 0 0.0 0 0.0 0 0.0 6 22
322 297 ASN N S S S+ 0 0 -139.3 19.6 -179.6 123.6 77.1 93.8 0 0.0 0 0.0 0 0.0 0 0.0 7 25
323 298 GLN Q - 0 0 -95.6 133.7 175.5 -169.4 42.7 130.8 0 0.0 325 -0.5 0 0.0 0 0.0 9 37
324 299 PHE F e + 0 0 -116.2 108.6 -178.0 174.1 16.0 167.6 0 0.0 231 -2.7 0 0.0 0 0.0 11 54
325 300 ILE I E E BoQ - 231 240 -127.3 117.5 179.1 -156.0 22.0 169.3 240 -2.3 240 -2.6 323 -0.5 327 -0.7 12 49
326 301 VAL V E E BoQ - 232 239 -90.8 103.7 -174.5 -167.0 26.9 152.9 231 -2.2 233 -2.3 0 0.0 0 0.0 15 59
327 302 GLY G E E >Bo > T - 233 0 -92.2 -179.2 -177.2 -85.1 36.4 109.4 325 -0.7 331 -1.7 238 -0.6 330 -1.6 15 56
328 303 ASN N H H > 3 TS+ 0 0 -59.2 -23.1 176.4 73.8 114.9 46.5 236 -2.9 332 -2.3 233 -0.6 0 0.0 15 62
329 304 LEU L H H 4 3 TS+ 0 0 -63.0 -22.9 174.9 29.7 113.5 34.1 237 -2.4 0 0.0 0 0.0 0 0.0 11 58
330 305 PHE F H H 4 X TS+ 0 0 -103.5 -43.8 -177.3 55.8 116.2 35.3 327 -1.6 333 -1.4 0 0.0 0 0.0 11 59
331 306 LEU L H H < > TS+ 0 0 -66.2 -20.9 178.8 78.8 90.1 39.8 327 -1.7 334 -2.0 0 0.0 0 0.0 11 70
332 307 ARG R T h < 3 TS+ 0 0 -60.4 -19.7 -179.4 64.6 82.2 46.3 328 -2.3 0 0.0 0 0.0 0 0.0 12 66
333 308 PHE F T e < TS+ 0 0 -79.3 -1.5 -179.9 52.8 104.4 60.0 330 -1.4 350 -1.0 0 0.0 0 0.0 11 61
334 309 PHE F E E A V< TS- 0 349 -129.2 162.0 169.8 -120.9 80.8 153.9 331 -2.0 336 -0.6 0 0.0 0 0.0 10 62
335 310 VAL V E E A V - 0 348 -90.2 124.4 -179.3 -154.2 42.1 153.4 348 -2.7 348 -1.6 0 0.0 0 0.0 16 59
336 311 ASN N E E AIV - 167 347 -102.2 138.5 178.9 -159.9 7.9 154.0 167 -1.9 167 -3.0 334 -0.6 0 0.0 12 70
337 312 VAL V E E AIV - 166 346 -119.8 123.3 -178.4 -161.7 1.1 167.6 346 -2.0 346 -2.9 0 0.0 339 -0.7 12 62
338 313 TYR Y E E AIV - 165 345 -111.7 108.3 -176.4 -168.1 6.6 156.6 165 -3.8 165 -1.5 0 0.0 340 -0.7 11 60
339 314 ASP D E E >AIV >T + 164 344 -102.5 104.9 -176.2 173.6 14.3 143.6 344 -2.6 344 -1.5 337 -0.7 343 -0.6 12 52
340 315 PHE F T e 4 5TS+ 0 0 -93.4 7.4 176.7 65.4 75.2 69.4 163 -1.6 0 0.0 338 -0.7 0 0.0 8 55
341 316 GLY G T T 4 5TS+ 0 0 -94.5 -44.6 176.6 13.9 122.8 22.8 163 -0.9 0 0.0 0 0.0 0 0.0 7 40
342 317 LYS K T T 4 5TS- 0 0 -106.3 2.3 176.6 -121.2 106.1 67.6 0 0.0 0 0.0 0 0.0 0 0.0 5 34
343 318 ASN N T e < 5T + 0 0 64.5 61.2 -179.0 133.3 63.1 13.5 339 -0.6 197 -2.6 0 0.0 0 0.0 9 45
344 319 ARG R E E AKV > T - 0 0 -67.0 159.0 173.2 -86.1 40.7 108.1 187 -3.0 354 -2.3 0 0.0 355 -0.6 11 31
352 327 SER S T T 4 3 TS+ 0 0 -55.5 130.6 -178.3 41.2 121.0 106.1 0 0.0 0 0.0 0 0.0 0 0.0 6 22
353 328 GLY G T T 4 3 TS+ 0 0 117.1 -38.9 -177.7 53.9 115.1 85.0 0 0.0 0 0.0 0 0.0 0 0.0 4 25
354 329 TYR Y T T 4 < TS+ 0 0 -112.7 -1.2 -178.1 130.2 75.1 73.7 351 -2.3 0 0.0 0 0.0 0 0.0 8 33
355 330 GLU E t < T - 0 0 -65.1 140.7 175.8 -131.2 54.7 111.3 351 -0.6 0 0.0 0 0.0 0 0.0 8 38
356 331 ASN N 0 0 -88.2 133.7 177.9 999.9 999.9 134.4 0 0.0 0 0.0 0 0.0 0 0.0 8 43
357 332 ASP D 0 0 -89.3 999.9 999.9 999.9 999.9 48.6 0 0.0 0 0.0 0 0.0 0 0.0 5 36
1mpp-.pdb
1MPP HYDROLASE(ACID PROTEINASE) PEPSIN (RENIN) (E.C.3.4.23.23) (MUCOR PUSILLUS)
author author
Kabs/Sand EEEEEEEETTTTEEEEEEEETTTTEEEEEEEETT EEEBTT GGGT SS B GGG TT EEEEEEEEEE SS EEEEEEEEEEEEETTEEEE Kabs/Sand
chirality --+------++-+----+--+-+---+-----+++-+-+----++--++-+++-++---+++-+++---+--++---+----+--+-+---+--+---+ chirality
bends SSS SSS SS SS SSSS SS SSS SS S SS SSS S bends
turns TTTTTT TTTTTT TTTT TTTTTTTTTT TTTTTTTT TTTT turns
5-turns >5555< >5555< >5555< 5-turns
3-turns >33< >33<>>3<< >>333< 3-turns
bridge-2 BBB CCCCCC eeee A HHHHHHHHH*HHH HHH* bridge-2
bridge-1 AAAAAA BBB DD CCCCCC fffb b GG***GGGGG GGGGG*GG DD bridge-1
sheets AAAAAAAA AAAAAAAA AAAAAAAA AAA AAAAAAAAAA AAAAAAAAAAAAA AAAA sheets
4-turns >444< 4-turns
summary EEEEEEEETTTTEEEEEEEEeTTTEEEEEEEETTt eEEEeTTtgGGGgt SS BgGGGgTTtEEEEEEEEEEeSSeEEEEEEEEEEEEETTEEEE summary
sequence GSVDTPGLYDFDLEEYAIPVSIGTPGQDFYLLFDTGSSDTWVPHKGCDNSEGCVGKRFFDPSSSSTFKETDYNLNITYGTGGANGIYFRDSITVGGATVK sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEEEEEEEEEESGGGSS TT SS EEEE S GGGSHHHHHHS HHHHHHHTTSSSSSEEEEE SSSEEEEEESS GGGBSS EEEE EEE Kabs/Sand
chirality +-+----++-+-++++--++-+-------++--+++-+++++-+-----+++++++-++-+-+------++--++----++---+++------------+ chirality
bends S S SSSSSS SS SS S S SSSSSSSSSSS SSSSSSSSSSSSSS SSS SSS SSS SS bends
turns TTTTT TTTT TTTTTTTTTTTT TTTTTTTTTTT TTTTT T turns
5-turns >5555< 5-turns
3-turns >>3<< >33< >>3<< >33< >>3<< > 3-turns
bridge-2 *HHHHHH*HHH A JJJJ JJJJ bridge-2
bridge-1 fff eeee IIII AAAAAA C KKKK L*L bridge-1
sheets AAAAAAAAAAA AAAA AAAAA AAAAAA AAAA BBB sheets
4-turns >444< >>>><<<< >>>>X<<<< 4-turns
summary EEEEEEEEEEEgGGGgStTTtSS EEEEeSgGGGhHHHHHHh hHHHHHHHhTtSSSeEEEEE SSeEEEEEEeS gGGGBSS EEEEeEEE summary
sequence QQTLAYVDNVSGPTAEQSPDSELFLDGIFGAAYPDNTAMEAEYGDTYNTVHVNLYKQGLISSPVFSVYMNTNDGGGQVVFGGVNNTLLGGDIQYTDVLKS sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand TTEEEEEEEEEEEEEETTEEEEEEEEEEEEEEETT SEEEEHHHHHHHHHHH TT EEETTEEEEEHHHHTT EEEEEEE TT SS EEEEEEEGGG Kabs/Sand
chirality -+-++-+----------+-+++---------++++-+--+--++++++++++++++--+-+---+--++++++-+-----+---++-++-----+--+++ chirality
bends SSS S SSSS S SS SS S SSSSSSSSSSS SS SS SSSSSS SS SS SSS bends
turns TTT TTTT TTTT TTTTTTTTTTTTTTTT TTTT TTTTTTTT TTTT TTTT turns
5-turns 5-turns
3-turns 33< >33< >33< >33< >33< >33< >33<>33< >33< >>>< 3-turns
bridge-2 MMMM*MMMM ooo QQ SSS TTTTTTT bridge-2
bridge-1 L****L N*NNNN MM*MM****MMMM pppp RRR RRR NNNNN TTTTTTT bridge-1
sheets BBBBBBBBBBBBBB BBBBBBBBBBBBBBB BBBB CCC CCCCC BBBBBBB BBBBBBB sheets
4-turns >>>>XXXXX<<<< >>44<< 4-turns
summary TTEEEEEEEEEEEEEEeTEEEEEEEEEEEEEEETTt eEEEEHHHHHHHHHHHhTTtEEETTEEEEEHHHHhTt eEEEEEEEeTTtSSeEEEEEEEeTT summary
sequence RGGYFFWDAPVTGVKIDGSDAVSFDGAQAFTIDTGTNFFIAPSSFAEKVVKAALPDATESQQGYTVPCSKYQDSKTTFSLVLQKSGSSSDTIDVSVPISK sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand GEEE SSSS EEEESEEEESSS EEEHHHHTTEEEEEETTTTEEEEEEB TTT Kabs/Sand
chirality +---+-+-++----+----+-+-+---++++++-----+++-+---+----+++- chirality
bends S SSSS S SSS SSSSSSS SSS SSS bends
turns TT TTTTTTTT TTTTTT TTTTT turns
5-turns >5555< 5-turns
3-turns << >33X>3<< >33< 3-turns
bridge-2 UUU QQ VVVVVV VVVVVV bridge-2
bridge-1 UUU SSS pppp ooo IIII KKKK C bridge-1
sheets CCC CCCC BBBB BBB AAAAAA AAAAAA sheets
4-turns >>44<< >444< >444< 4-turns
summary eEEEeSSSSeEEEEeEEEESSS eEEEHHHHheEEEEEEeTTeEEEEEEetTTTt summary
sequence MLLPVDKSGETCMFIVLPDGGNQFIVGNLFLRFFVNVYDFGKNRIGFAPLASGYEND sequence
310 320 330 340 350