Secondary structure calculation program - copyright by David Keith Smith, 1989
1mrg-.pdb
1MRG RIBOSOME-INACTIVATING PROTEIN ALPHA-MOMORCHARIN COMPLEXED WITH ADENINE BITTER GOURD (CUCURBITACEAE MOMORDICA CHARANTIA) S
Sequence length - 246
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 ASP D 0 0 999.9 153.4 171.4 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 7 38
2 2 VAL V E E Aa - 50 0 -115.9 151.4 -176.7 -163.3 999.9 152.8 49 -1.5 51 -2.8 0 0.0 0 0.0 10 40
3 3 SER S E E Aa - 51 0 -131.0 152.3 171.2 -172.8 10.3 163.9 0 0.0 0 0.0 0 0.0 0 0.0 9 45
4 4 PHE F E E Aa - 52 0 -143.2 139.5 176.1 -161.2 6.9 170.0 51 -2.2 53 -2.3 0 0.0 0 0.0 10 52
5 5 ARG R E E Aa - 53 0 -121.0 125.9 -178.8 -156.0 9.7 173.1 0 0.0 0 0.0 0 0.0 0 0.0 11 46
6 6 LEU L S e S+ 0 0 -73.3 -22.4 177.8 90.9 73.2 49.9 53 -2.3 0 0.0 0 0.0 0 0.0 11 47
7 7 SER S S S S+ 0 0 -75.5 121.0 177.9 5.2 106.0 134.0 0 0.0 0 0.0 0 0.0 0 0.0 8 32
8 8 GLY G S S S+ 0 0 90.2 -10.7 178.7 147.8 97.6 74.4 0 0.0 0 0.0 0 0.0 0 0.0 5 27
9 9 ALA A + 0 0 -58.8 142.4 176.8 166.8 16.8 104.9 0 0.0 0 0.0 0 0.0 0 0.0 9 35
10 10 ASP D h > > T - 0 0 -146.9 176.0 -175.4 -80.8 57.0 144.2 0 0.0 14 -1.9 0 0.0 13 -0.6 8 34
11 11 PRO P H H > 3 TS+ 0 0 -55.6 -26.3 -176.7 55.1 127.5 32.6 0 0.0 15 -1.8 0 0.0 0 0.0 10 36
12 12 ARG R H H > 3 TS+ 0 0 -73.4 -49.1 -177.6 44.0 106.6 33.1 0 0.0 16 -1.4 0 0.0 0 0.0 8 28
13 13 SER S H H > < TS+ 0 0 -68.7 -37.8 173.8 54.8 111.6 31.6 10 -0.6 17 -2.9 0 0.0 0 0.0 8 35
14 14 TYR Y H H X TS+ 0 0 -56.2 -52.3 177.0 50.1 107.8 13.1 10 -1.9 18 -3.2 0 0.0 0 0.0 11 53
15 15 GLY G H H X TS+ 0 0 -53.9 -38.3 179.7 52.2 109.2 32.0 11 -1.8 19 -2.4 0 0.0 0 0.0 10 42
16 16 MET M H H X TS+ 0 0 -65.7 -46.6 172.6 47.5 110.2 15.8 12 -1.4 20 -2.6 0 0.0 0 0.0 8 35
17 17 PHE F H H X TS+ 0 0 -55.0 -48.8 -177.4 50.3 112.0 22.1 13 -2.9 21 -2.8 0 0.0 0 0.0 11 46
18 18 ILE I H H X TS+ 0 0 -63.8 -37.4 174.9 50.6 109.7 23.6 14 -3.2 22 -2.7 0 0.0 0 0.0 12 56
19 19 LYS K H H X TS+ 0 0 -61.0 -48.7 171.1 47.4 112.1 17.3 15 -2.4 23 -2.6 0 0.0 0 0.0 9 42
20 20 ASP D H H X TS+ 0 0 -52.5 -50.5 178.7 53.0 110.2 33.2 16 -2.6 24 -1.3 0 0.0 0 0.0 9 37
21 21 LEU L H H X > TS+ 0 0 -55.4 -50.4 175.8 45.7 111.3 13.3 17 -2.8 24 -0.9 0 0.0 25 -0.8 10 53
22 22 ARG R H H < > TS+ 0 0 -55.5 -48.9 -175.9 51.0 112.8 23.8 18 -2.7 25 -1.1 0 0.0 0 0.0 10 53
23 23 ASN N H H < 3 TS+ 0 0 -65.2 -19.7 -176.8 63.1 101.2 45.2 19 -2.6 0 0.0 0 0.0 0 0.0 7 44
24 24 ALA A H H < < TS+ 0 0 -80.6 -20.2 178.9 87.2 85.2 47.9 20 -1.3 0 0.0 21 -0.9 0 0.0 9 43
25 25 LEU L S h < < TS- 0 0 -75.1 138.8 169.4 -130.2 78.9 123.8 22 -1.1 0 0.0 21 -0.8 0 0.0 10 51
26 26 PRO P e + 0 0 -89.0 161.2 175.8 168.4 29.9 136.6 0 0.0 38 -1.0 0 0.0 0 0.0 9 42
27 27 PHE F E E BB - 37 0 -157.5 157.3 178.8 -157.4 26.8 160.9 0 0.0 0 0.0 0 0.0 0 0.0 9 38
28 28 ARG R E E B* S+ 0 0 -102.0 -55.2 -179.1 29.5 77.8 42.2 36 -0.8 0 0.0 0 0.0 0 0.0 8 27
29 29 GLU E E E B* - 0 0 -101.0 173.7 167.7 -140.3 62.5 119.8 0 0.0 36 -1.9 0 0.0 0 0.0 6 27
30 30 LYS K E E BB - 35 0 -132.8 117.7 172.0 -156.8 13.0 173.1 0 0.0 32 -0.6 0 0.0 0 0.0 9 34
31 31 VAL V E E BB > TS- 34 0 -92.5 114.2 176.1 -14.6 85.2 151.0 34 -2.0 34 -2.5 0 0.0 0 0.0 10 42
32 32 TYR Y T T 3 TS- 0 0 61.0 39.4 -175.7 -57.7 128.4 35.6 30 -0.6 0 0.0 0 0.0 0 0.0 4 41
33 33 ASN N T T 3 TS+ 0 0 63.4 9.9 172.3 118.5 113.9 65.6 0 0.0 0 0.0 0 0.0 0 0.0 5 32
34 34 ILE I E E BB < TS- 31 0 -101.4 131.1 177.7 -110.0 74.4 149.3 31 -2.5 31 -2.0 0 0.0 0 0.0 10 46
35 35 PRO P E E BB - 30 0 -61.9 113.0 177.6 -143.7 27.2 117.2 0 0.0 240 -1.9 0 0.0 37 -0.5 12 45
36 36 LEU L E E B*a - 0 240 -80.9 122.3 -179.1 -127.5 19.0 130.7 29 -1.9 28 -0.8 0 0.0 0 0.0 13 49
37 37 LEU L E E BB - 27 0 -72.3 144.5 -178.7 -96.5 31.3 108.5 240 -3.0 0 0.0 35 -0.5 0 0.0 15 52
38 38 LEU L e - 0 0 -58.3 150.3 178.3 -132.5 21.8 103.6 26 -1.0 0 0.0 0 0.0 0 0.0 11 41
39 39 PRO P S S S- 0 0 -73.3 -32.2 -177.5 -0.6 84.6 32.7 0 0.0 0 0.0 0 0.0 0 0.0 9 36
40 40 SER S - 0 0 -157.4 144.2 171.3 -173.8 55.1 171.7 0 0.0 0 0.0 0 0.0 0 0.0 6 34
41 41 VAL V - 0 0 -141.0 145.3 -166.0 -143.4 21.5 163.9 0 0.0 0 0.0 0 0.0 0 0.0 9 32
42 42 SER S g > T + 0 0 -123.6 137.5 178.9 2.3 51.4 158.5 0 0.0 45 -0.5 0 0.0 0 0.0 6 25
43 43 GLY G G G > TS- 0 0 96.5 -157.7 176.6 -32.0 115.4 126.1 0 0.0 46 -0.9 0 0.0 0 0.0 6 27
44 44 ALA A G G > TS+ 0 0 -67.1 -25.9 -176.4 77.6 125.7 41.5 0 0.0 47 -2.5 0 0.0 0 0.0 8 30
45 45 GLY G G G < TS+ 0 0 -63.5 -16.5 174.3 70.8 79.6 44.5 42 -0.5 0 0.0 0 0.0 0 0.0 7 33
46 46 ARG R G e < TS+ 0 0 -68.2 -19.0 -171.7 71.1 91.5 52.2 43 -0.9 66 -2.3 0 0.0 0 0.0 11 41
47 47 TYR Y E E A C< T - 0 65 -113.6 132.3 171.2 -161.1 61.3 155.6 44 -2.5 0 0.0 0 0.0 0 0.0 11 51
48 48 LEU L E E A C - 0 64 -103.0 141.8 -179.4 -143.3 15.2 152.6 64 -3.0 64 -3.3 0 0.0 50 -0.5 12 54
49 49 LEU L E E A C - 0 63 -109.3 118.1 172.9 -163.3 11.2 159.1 0 0.0 2 -1.5 0 0.0 0 0.0 10 55
50 50 MET M E E AaC - 2 62 -96.5 139.0 176.6 -150.3 7.7 151.7 62 -3.1 62 -3.0 48 -0.5 52 -0.6 12 55
51 51 HIS H E E AaC - 3 61 -110.0 113.2 -178.2 -172.4 15.5 156.4 2 -2.8 4 -2.2 0 0.0 0 0.0 12 51
52 52 LEU L E E AaC - 4 60 -111.3 126.6 177.8 -168.7 3.6 159.6 60 -2.6 60 -1.9 50 -0.6 0 0.0 13 58
53 53 PHE F E E AaC - 5 59 -111.4 132.2 178.7 -143.4 12.7 163.1 4 -2.3 6 -2.3 0 0.0 0 0.0 15 44
54 54 ASN N e > T - 0 0 -87.1 178.9 -171.7 -85.5 40.5 103.3 58 -2.7 57 -2.5 0 0.0 0 0.0 15 43
55 55 ARG R T T 3 TS+ 0 0 -55.3 -41.5 177.1 50.0 131.6 29.8 0 0.0 0 0.0 0 0.0 0 0.0 9 32
56 56 ASP D T T 3 TS- 0 0 -73.6 -3.5 176.9 -110.2 121.7 70.9 0 0.0 0 0.0 0 0.0 0 0.0 6 25
57 57 GLY G t < T + 0 0 86.3 9.6 174.9 142.3 69.4 53.6 54 -2.5 0 0.0 0 0.0 0 0.0 8 29
58 58 LYS K e - 0 0 -78.4 159.4 -167.7 -152.5 36.1 120.3 0 0.0 54 -2.7 0 0.0 0 0.0 8 32
59 59 THR T E E AC - 53 0 -141.9 146.6 162.6 -166.8 25.4 161.9 0 0.0 0 0.0 0 0.0 0 0.0 11 39
60 60 ILE I E E AC - 52 0 -117.9 151.0 167.6 -138.4 20.9 162.8 52 -1.9 52 -2.6 0 0.0 62 -0.5 14 54
61 61 THR T E E ACD - 51 75 -106.2 123.0 -176.3 -159.9 21.2 164.4 75 -2.0 75 -2.1 0 0.0 0 0.0 11 56
62 62 VAL V E E ACD - 50 74 -105.2 143.7 -176.0 -142.7 7.4 144.2 50 -3.0 50 -3.1 60 -0.5 0 0.0 13 67
63 63 ALA A E E ACD - 49 73 -111.1 128.2 -171.1 -172.2 18.1 153.9 73 -2.3 72 -3.9 0 0.0 73 -0.7 13 59
64 64 VAL V E E ACD - 48 71 -125.5 135.0 -179.5 -125.3 25.8 156.2 48 -3.3 48 -3.0 0 0.0 66 -0.7 13 68
65 65 ASP D E E >AC > T - 47 0 -82.3 115.5 -174.2 -150.9 18.2 141.1 70 -2.9 69 -2.9 0 0.0 68 -1.2 12 63
66 66 VAL V T e 4 3 TS+ 0 0 -68.7 -4.3 179.3 61.6 89.6 59.0 46 -2.3 0 0.0 64 -0.7 0 0.0 13 54
67 67 THR T T T 4 3 TS+ 0 0 -89.7 -26.9 -177.4 4.4 129.7 39.2 0 0.0 0 0.0 0 0.0 0 0.0 14 51
68 68 ASN N T T 4 < TS- 0 0 -137.2 4.9 -177.2 -120.7 93.3 68.0 65 -1.2 0 0.0 0 0.0 0 0.0 8 61
69 69 ILE I t < T + 0 0 49.8 40.3 176.3 155.7 56.4 44.8 65 -2.9 0 0.0 0 0.0 0 0.0 8 65
70 70 1 TYR Y e - 0 0 -94.1 135.1 179.7 -119.8 47.5 130.6 0 0.0 65 -2.9 0 0.0 0 0.0 8 64
71 71 ILE I E E AD - 64 0 -71.2 131.1 -177.1 -172.5 27.7 128.3 0 0.0 0 0.0 0 0.0 0 0.0 12 66
72 72 MET M E E A* - 0 0 -97.8 -37.7 -179.8 -59.0 54.8 28.5 63 -3.9 83 -1.9 0 0.0 0 0.0 14 62
73 73 GLY G E E ADE - 63 82 178.5 -167.9 -177.3 -123.5 52.2 151.8 63 -0.7 63 -2.3 0 0.0 0 0.0 12 69
74 74 TYR Y E E ADE - 62 81 -153.6 168.6 178.4 -122.7 11.3 163.7 81 -2.0 81 -2.8 0 0.0 0 0.0 12 73
75 75 LEU L E E ADE - 61 80 -123.5 126.0 170.7 -171.6 15.9 170.8 61 -2.1 61 -2.0 0 0.0 0 0.0 13 53
76 76 ALA A E E A E> T - 0 79 -118.6 129.8 -150.6 -58.1 67.0 174.2 79 -2.6 79 -2.9 0 0.0 0 0.0 12 47
77 77 ASP D T T 3 TS- 0 0 12.1 -82.9 -176.0 -11.0 124.4 98.7 0 0.0 0 0.0 0 0.0 0 0.0 6 34
78 78 THR T T e 3 TS+ 0 0 -112.6 11.6 -176.5 80.4 120.3 75.2 0 0.0 100 -1.6 0 0.0 101 -0.7 8 27
79 79 THR T E E AEf< T - 76 101 -123.8 128.8 176.4 -157.5 58.2 164.8 76 -2.9 76 -2.6 0 0.0 0 0.0 11 33
80 80 SER S E E AEf - 75 102 -95.8 149.5 172.9 -161.4 8.9 151.1 101 -2.5 103 -2.7 0 0.0 0 0.0 13 49
81 81 TYR Y E E AEf - 74 103 -127.0 147.4 -177.3 -174.3 8.5 172.0 74 -2.8 74 -2.0 0 0.0 0 0.0 11 58
82 82 PHE F E E AEf - 73 104 -141.8 149.6 176.6 -106.2 27.3 167.8 103 -1.9 105 -3.0 0 0.0 0 0.0 14 56
83 83 PHE F e - 0 0 -68.5 158.9 -179.1 -106.5 38.6 105.1 72 -1.9 85 -1.4 0 0.0 0 0.0 14 54
84 84 ASN N S S S+ 0 0 -95.6 84.1 179.8 94.5 83.3 130.6 107 -4.5 0 0.0 0 0.0 0 0.0 12 35
85 85 GLU E S h > > TS- 0 0 -162.4 155.5 -173.7 -102.5 84.7 158.4 83 -1.4 89 -1.6 0 0.0 88 -1.1 9 29
86 86 PRO P H H > 3 TS+ 0 0 -60.0 -33.8 179.3 58.0 113.8 35.0 0 0.0 90 -2.7 0 0.0 0 0.0 6 25
87 87 ALA A H H > 3 TS+ 0 0 -62.4 -37.8 -177.8 47.0 107.9 31.3 0 0.0 91 -2.4 0 0.0 0 0.0 7 40
88 88 ALA A H H > < TS+ 0 0 -74.8 -37.2 174.1 53.2 109.3 31.2 85 -1.1 92 -2.1 0 0.0 0 0.0 12 46
89 89 GLU E H H < TS+ 0 0 -60.4 -44.9 170.2 49.7 110.1 14.7 85 -1.6 0 0.0 0 0.0 0 0.0 11 37
90 90 LEU L H H < > TS+ 0 0 -55.8 -48.8 173.9 51.9 108.8 23.2 86 -2.7 93 -1.6 0 0.0 0 0.0 8 37
91 91 ALA A H H X > TS+ 0 0 -54.1 -39.7 179.9 71.1 95.4 32.6 87 -2.4 94 -2.3 0 0.0 95 -2.2 11 49
92 92 SER S T h < 3 TS+ 0 0 -56.3 -16.3 172.9 61.2 90.3 47.4 88 -2.1 0 0.0 0 0.0 0 0.0 10 44
93 93 GLN Q T T 4 < TS+ 0 0 -75.2 -26.7 -166.8 31.1 114.9 39.2 90 -1.6 0 0.0 0 0.0 0 0.0 7 36
94 94 TYR Y T T 4 < TS+ 0 0 -110.3 -29.3 -178.8 54.5 112.3 41.7 91 -2.3 0 0.0 0 0.0 0 0.0 9 36
95 95 VAL V S t < TS+ 0 0 -114.9 162.6 -177.8 8.8 103.2 140.3 91 -2.2 0 0.0 0 0.0 0 0.0 9 47
96 96 PHE F t > T + 0 0 40.6 52.6 -174.2 152.8 69.9 32.4 0 0.0 99 -1.0 0 0.0 0 0.0 8 45
97 97 ARG R T T 3 T + 0 0 -82.3 -23.2 176.3 60.2 64.4 32.0 0 0.0 0 0.0 0 0.0 0 0.0 7 33
98 98 ASP D T T 3 TS+ 0 0 -80.6 0.0 178.4 123.4 78.8 63.9 0 0.0 0 0.0 0 0.0 0 0.0 4 21
99 99 ALA A t < T - 0 0 -65.8 146.4 -174.1 -138.2 63.2 111.5 96 -1.0 0 0.0 0 0.0 0 0.0 10 28
100 100 ARG R S S S+ 0 0 -80.9 -6.7 -166.0 16.7 85.3 62.9 78 -1.6 0 0.0 0 0.0 0 0.0 6 19
101 101 ARG R E E Af - 79 0 -170.6 136.3 179.9 -150.0 62.6 154.5 78 -0.7 80 -2.5 0 0.0 0 0.0 7 25
102 102 LYS K E E Af - 80 0 -124.4 121.7 -176.6 -172.2 16.3 166.6 0 0.0 0 0.0 0 0.0 0 0.0 9 37
103 103 ILE I E E Af - 81 0 -115.0 139.6 -179.5 -145.7 14.2 148.2 80 -2.7 82 -1.9 0 0.0 0 0.0 8 39
104 104 THR T E E Af - 82 0 -106.2 132.2 -177.7 -127.1 22.1 156.2 0 0.0 0 0.0 0 0.0 0 0.0 8 40
105 105 LEU L e - 0 0 -78.3 149.0 -172.9 -114.6 22.9 124.1 82 -3.0 0 0.0 0 0.0 0 0.0 10 47
106 106 PRO P S S S+ 0 0 -71.5 15.0 -178.0 49.9 92.8 68.9 0 0.0 0 0.0 0 0.0 0 0.0 7 36
107 107 TYR Y S S S- 0 0 -149.4 159.8 171.8 -112.2 79.6 154.5 0 0.0 84 -4.5 0 0.0 0 0.0 10 39
108 108 SER S - 0 0 -78.4 178.1 -170.0 -111.0 40.3 111.0 0 0.0 0 0.0 0 0.0 0 0.0 10 39
109 109 GLY G S S S+ 0 0 -111.2 23.7 176.6 115.0 74.2 85.4 0 0.0 0 0.0 0 0.0 0 0.0 11 50
110 110 ASP D S h > TS- 0 0 -89.8 157.8 -171.2 -112.4 75.8 123.0 0 0.0 114 -2.2 0 0.0 0 0.0 6 48
111 111 TYR Y H H > TS+ 0 0 -59.2 -39.2 -171.3 56.9 111.3 31.0 0 0.0 115 -2.6 0 0.0 0 0.0 7 46
112 112 GLU E H H > TS+ 0 0 -64.6 -47.0 175.5 37.6 113.0 16.6 0 0.0 116 -1.9 0 0.0 0 0.0 6 31
113 113 ARG R H H > TS+ 0 0 -67.6 -37.2 179.7 53.6 117.4 31.0 0 0.0 117 -2.3 0 0.0 0 0.0 10 30
114 114 LEU L H H X TS+ 0 0 -66.7 -34.9 180.0 48.4 108.3 31.4 110 -2.2 118 -1.6 0 0.0 0 0.0 14 43
115 115 GLN Q H H X TS+ 0 0 -72.8 -43.0 173.8 50.9 110.8 25.4 111 -2.6 119 -1.1 0 0.0 0 0.0 14 37
116 116 ILE I H H < > TS+ 0 0 -53.8 -51.1 179.1 47.7 112.4 14.1 112 -1.9 119 -0.9 0 0.0 0 0.0 9 29
117 117 ALA A H H < 3 TS+ 0 0 -59.0 -37.2 -173.8 47.7 112.6 36.5 113 -2.3 0 0.0 0 0.0 0 0.0 9 32
118 118 ALA A H H < 3 TS- 0 0 -81.5 -17.0 -170.7 -130.1 101.6 48.6 114 -1.6 0 0.0 0 0.0 0 0.0 12 38
119 119 GLY G S h < < TS+ 0 0 81.0 -13.8 176.5 82.2 80.4 72.9 115 -1.1 0 0.0 116 -0.9 0 0.0 6 27
120 120 LYS K S S S- 0 0 -119.8 145.9 166.4 -126.5 75.6 160.3 0 0.0 0 0.0 0 0.0 0 0.0 10 28
121 121 PRO P g > T - 0 0 -78.0 165.6 -173.1 -104.2 37.8 119.9 0 0.0 124 -1.9 0 0.0 0 0.0 9 37
122 122 ARG R G G > TS+ 0 0 -60.4 -31.5 -175.1 71.7 116.6 44.1 0 0.0 125 -1.3 0 0.0 0 0.0 10 46
123 123 GLU E G G 3 TS+ 0 0 -58.8 -14.0 -171.6 44.9 101.3 46.6 0 0.0 0 0.0 0 0.0 0 0.0 10 34
124 124 LYS K G G < TS+ 0 0 -125.5 18.5 172.4 91.6 89.2 81.0 121 -1.9 0 0.0 0 0.0 0 0.0 8 32
125 125 ILE I S g < TS- 0 0 -114.3 118.3 170.5 -132.1 72.8 163.6 122 -1.3 0 0.0 0 0.0 0 0.0 12 45
126 126 PRO P - 0 0 -61.7 132.9 175.8 -163.9 24.2 132.6 0 0.0 0 0.0 0 0.0 0 0.0 10 45
127 127 ILE I B B B + 179 0 -115.7 159.7 178.3 111.6 30.1 137.9 179 -1.8 179 -2.3 0 0.0 0 0.0 16 51
128 128 GLY G S h > TS- 0 0 167.0 -173.4 172.6 -73.6 78.8 158.7 0 0.0 132 -1.2 0 0.0 0 0.0 16 58
129 129 LEU L H H > TS+ 0 0 -78.9 -32.8 171.3 52.5 129.5 34.8 174 -2.1 133 -1.5 0 0.0 0 0.0 15 59
130 130 PRO P H H > TS+ 0 0 -63.6 -43.0 172.2 50.0 109.5 21.6 0 0.0 134 -2.0 0 0.0 0 0.0 12 47
131 131 ALA A H H > TS+ 0 0 -59.8 -37.3 178.8 54.3 106.8 36.4 0 0.0 135 -3.2 0 0.0 0 0.0 11 52
132 132 LEU L H H X TS+ 0 0 -65.5 -39.4 178.5 51.9 106.8 29.7 128 -1.2 136 -2.5 0 0.0 0 0.0 14 69
133 133 ASP D H H X TS+ 0 0 -58.9 -46.5 174.2 45.4 112.7 16.5 129 -1.5 137 -2.1 0 0.0 0 0.0 12 52
134 134 SER S H H X TS+ 0 0 -58.2 -55.2 175.2 54.2 110.2 21.5 130 -2.0 138 -2.4 0 0.0 0 0.0 10 48
135 135 ALA A H H X TS+ 0 0 -44.5 -53.6 -178.1 50.7 107.1 25.4 131 -3.2 139 -2.4 0 0.0 0 0.0 14 54
136 136 ILE I H H X TS+ 0 0 -55.0 -48.2 178.3 48.4 111.4 18.3 132 -2.5 140 -1.0 0 0.0 0 0.0 15 57
137 137 SER S H H < TS+ 0 0 -58.1 -44.1 175.1 50.8 111.0 34.0 133 -2.1 0 0.0 0 0.0 0 0.0 10 43
138 138 THR T H H < > TS+ 0 0 -57.8 -45.3 -174.6 53.2 107.2 28.1 134 -2.4 141 -1.2 0 0.0 0 0.0 12 41
139 139 LEU L H H < 3 TS+ 0 0 -69.4 -17.2 -175.4 72.5 94.2 41.3 135 -2.4 0 0.0 0 0.0 0 0.0 12 52
140 140 LEU L T h < 3 TS+ 0 0 -73.8 -19.8 179.8 41.9 101.6 43.3 136 -1.0 0 0.0 0 0.0 0 0.0 10 47
141 141 HIS H S t < TS- 0 0 -132.5 115.6 -174.3 -110.4 100.1 162.2 138 -1.2 0 0.0 0 0.0 0 0.0 7 35
142 142 TYR Y + 0 0 -51.7 126.0 166.3 141.9 53.6 96.1 0 0.0 0 0.0 0 0.0 0 0.0 7 37
143 143 ASP D h > T - 0 0 -157.2 111.6 -168.7 -155.8 34.4 140.9 0 0.0 147 -2.7 0 0.0 0 0.0 8 33
144 144 SER S H H > TS+ 0 0 -70.4 -26.5 180.0 47.8 91.3 40.8 0 0.0 148 -1.0 0 0.0 0 0.0 8 42
145 145 THR T H H > TS+ 0 0 -76.2 -41.2 -179.7 43.6 116.5 23.3 0 0.0 149 -1.0 0 0.0 0 0.0 8 34
146 146 ALA A H H > TS+ 0 0 -73.7 -33.7 169.9 57.9 109.7 34.2 0 0.0 150 -1.9 0 0.0 0 0.0 9 37
147 147 ALA A H H X TS+ 0 0 -65.1 -26.5 174.0 62.8 96.3 35.6 143 -2.7 151 -2.4 0 0.0 0 0.0 13 56
148 148 ALA A H H X TS+ 0 0 -64.9 -42.6 169.5 42.1 108.4 21.2 144 -1.0 152 -1.5 0 0.0 0 0.0 12 55
149 149 GLY G H H X TS+ 0 0 -64.6 -44.3 176.5 52.6 112.6 23.4 145 -1.0 153 -1.6 0 0.0 0 0.0 14 54
150 150 ALA A H H X TS+ 0 0 -57.9 -38.2 -177.6 49.4 110.6 26.8 146 -1.9 154 -2.6 0 0.0 0 0.0 14 62
151 151 LEU L H H X TS+ 0 0 -76.9 -24.2 169.6 56.9 104.7 35.3 147 -2.4 155 -2.5 0 0.0 0 0.0 9 71
152 152 LEU L H H X TS+ 0 0 -69.0 -27.5 177.9 41.9 113.5 30.7 148 -1.5 156 -1.1 0 0.0 0 0.0 12 66
153 153 VAL V H H X TS+ 0 0 -86.0 -36.5 176.5 51.3 114.0 30.0 149 -1.6 157 -2.0 0 0.0 0 0.0 15 66
154 154 LEU L H H X TS+ 0 0 -64.4 -48.8 178.2 49.4 109.2 13.4 150 -2.6 158 -1.1 0 0.0 0 0.0 12 76
155 155 ILE I H H X >TS+ 0 0 -54.3 -46.8 -173.7 45.7 114.4 27.2 151 -2.5 160 -2.1 0 0.0 159 -0.5 10 71
156 156 GLN Q H H < >TS+ 0 0 -71.6 -39.1 179.9 49.4 111.3 30.6 152 -1.1 161 -0.7 0 0.0 0 0.0 10 71
157 157 THR T H H < 5TS+ 0 0 -78.5 -13.9 174.6 17.6 129.8 57.1 153 -2.0 0 0.0 0 0.0 0 0.0 14 76
158 158 THR T H H X 5TS+ 0 0 -116.6 -72.2 -177.1 31.9 130.7 52.9 154 -1.1 162 -2.2 0 0.0 0 0.0 9 78
159 159 ALA A H H X 5TS+ 0 0 -58.1 -49.3 179.8 44.5 123.4 30.2 155 -0.5 163 -1.7 0 0.0 0 0.0 12 75
160 160 GLU E H H > T - 237 0 -135.0 126.5 176.2 -150.5 58.4 158.3 160 -1.5 168 -2.0 0 0.0 167 -0.8 13 56
165 165 LYS K H H > 3 TS+ 0 0 -62.1 -28.7 177.5 61.5 99.4 37.8 236 -2.6 169 -2.0 0 0.0 0 0.0 12 50
166 166 TYR Y H H > 3 TS+ 0 0 -61.8 -45.1 -173.5 44.7 106.5 17.6 0 0.0 170 -2.2 0 0.0 0 0.0 9 51
167 167 ILE I H H > < TS+ 0 0 -73.2 -35.5 173.8 55.1 109.0 21.4 164 -0.8 171 -1.3 0 0.0 0 0.0 10 56
168 168 GLU E H H X > TS+ 0 0 -57.8 -37.3 -178.0 49.2 109.5 21.1 164 -2.0 172 -1.5 0 0.0 171 -0.6 14 54
169 169 GLN Q H H X 3 TS+ 0 0 -76.0 -34.0 165.2 58.6 103.7 30.3 165 -2.0 173 -2.2 0 0.0 0 0.0 9 48
170 170 GLN Q H H < 3 TS+ 0 0 -51.8 -39.9 -175.8 48.5 107.4 38.5 166 -2.2 0 0.0 0 0.0 0 0.0 8 50
171 171 ILE I H H < < TS+ 0 0 -79.8 -30.3 172.9 55.4 105.5 37.3 167 -1.3 0 0.0 168 -0.6 0 0.0 14 53
172 172 GLN Q H H < > TS+ 0 0 -67.3 -37.1 166.1 52.9 106.9 22.9 168 -1.5 175 -1.3 0 0.0 0 0.0 14 46
173 173 GLU E T h < 3 TS+ 0 0 -58.2 -26.9 -174.6 49.0 110.1 49.2 169 -2.2 0 0.0 0 0.0 0 0.0 7 34
174 174 ARG R T T 3 TS+ 0 0 -111.6 30.2 178.4 118.8 72.9 92.0 0 0.0 129 -2.1 0 0.0 0 0.0 13 41
175 175 ALA A S t < TS+ 0 0 -70.3 -20.2 174.7 19.2 90.4 51.9 172 -1.3 0 0.0 0 0.0 0 0.0 12 45
176 176 TYR Y S S S+ 0 0 -130.7 9.8 178.8 35.3 131.5 69.6 0 0.0 0 0.0 0 0.0 0 0.0 7 32
177 177 ARG R S S S- 0 0 -159.6 134.1 -177.4 -132.7 75.7 161.4 0 0.0 0 0.0 0 0.0 0 0.0 8 28
178 178 ASP D + 0 0 -89.8 158.2 177.1 178.4 24.5 128.5 0 0.0 0 0.0 0 0.0 0 0.0 12 38
179 179 GLU E B B B - 127 0 -155.8 151.0 -178.6 -96.0 36.4 166.9 127 -2.3 127 -1.8 0 0.0 0 0.0 9 36
180 180 VAL V - 0 0 -65.6 153.0 178.3 -93.6 55.1 92.6 0 0.0 0 0.0 0 0.0 0 0.0 10 39
181 181 PRO P - 0 0 -63.5 150.1 167.0 -113.9 39.5 120.1 0 0.0 0 0.0 0 0.0 0 0.0 12 50
182 182 SER S h > T - 0 0 -69.4 160.1 170.7 -110.5 25.7 116.1 0 0.0 186 -2.3 0 0.0 0 0.0 7 42
183 183 LEU L H H > TS+ 0 0 -55.8 -43.0 176.3 58.7 120.8 38.6 0 0.0 187 -2.8 0 0.0 0 0.0 9 34
184 184 ALA A H H > TS+ 0 0 -51.6 -50.4 178.8 50.1 105.6 20.7 0 0.0 188 -2.9 0 0.0 0 0.0 10 44
185 185 THR T H H > TS+ 0 0 -55.5 -52.0 177.3 44.8 111.9 17.3 0 0.0 189 -2.3 0 0.0 0 0.0 11 57
186 186 ILE I H H X TS+ 0 0 -59.4 -39.3 177.3 53.3 113.8 25.2 182 -2.3 190 -1.8 0 0.0 0 0.0 11 53
187 187 SER S H H X TS+ 0 0 -56.7 -52.3 -179.0 46.7 109.7 21.7 183 -2.8 191 -1.4 0 0.0 0 0.0 11 44
188 188 LEU L H H X TS+ 0 0 -60.0 -45.7 -178.4 54.4 108.8 24.3 184 -2.9 192 -0.7 0 0.0 0 0.0 11 58
189 189 GLU E H H < > TS+ 0 0 -57.6 -42.6 -179.4 45.5 111.7 28.9 185 -2.3 192 -0.5 0 0.0 0 0.0 8 56
190 190 ASN N H H < 3 TS+ 0 0 -71.8 -26.1 -174.1 51.8 111.7 38.0 186 -1.8 0 0.0 0 0.0 0 0.0 7 45
191 191 SER S H H X 3 TS+ 0 0 -94.8 5.1 -170.8 100.1 75.3 59.4 187 -1.4 195 -3.1 0 0.0 0 0.0 10 50
192 192 TRP W H H X < TS+ 0 0 -60.0 -45.7 -177.0 46.5 85.7 31.8 188 -0.7 196 -2.3 189 -0.5 0 0.0 11 56
193 193 SER S H H > TS+ 0 0 -61.6 -54.0 177.7 42.1 116.3 16.8 0 0.0 197 -1.7 0 0.0 0 0.0 9 47
194 194 GLY G H H > TS+ 0 0 -61.3 -47.4 171.8 52.1 114.5 19.7 0 0.0 198 -2.8 0 0.0 0 0.0 8 43
195 195 LEU L H H X TS+ 0 0 -52.5 -49.4 173.5 50.6 108.6 29.2 191 -3.1 199 -2.2 0 0.0 0 0.0 9 61
196 196 SER S H H X TS+ 0 0 -55.0 -37.4 -178.2 47.6 112.8 32.1 192 -2.3 200 -1.2 0 0.0 0 0.0 12 60
197 197 LYS K H H X > TS+ 0 0 -70.3 -52.6 -175.6 46.1 112.7 9.4 193 -1.7 201 -2.5 0 0.0 200 -0.6 12 50
198 198 GLN Q H H X 3 TS+ 0 0 -63.6 -41.3 170.3 51.4 111.8 32.1 194 -2.8 202 -0.9 0 0.0 0 0.0 11 47
199 199 ILE I H H X 3 TS+ 0 0 -57.7 -38.5 -176.5 47.1 112.4 31.0 195 -2.2 203 -0.6 0 0.0 0 0.0 13 54
200 200 GLN Q H H < X TS+ 0 0 -75.4 -37.0 175.7 49.5 112.0 29.1 196 -1.2 203 -0.5 197 -0.6 0 0.0 9 50
201 201 LEU L H H < 3 TS+ 0 0 -69.0 -24.8 -178.0 73.3 96.4 52.9 197 -2.5 0 0.0 0 0.0 0 0.0 10 36
202 202 ALA A H H < >>TS+ 0 0 -67.6 -30.7 167.0 91.9 73.3 35.9 198 -0.9 205 -2.6 0 0.0 207 -2.2 14 36
203 203 GLN Q T h < <5TS+ 0 0 -58.9 128.4 -171.8 21.9 98.2 119.2 199 -0.6 0 0.0 200 -0.5 0 0.0 10 31
204 204 GLY G T T 35TS+ 0 0 75.4 7.9 162.6 73.1 115.6 51.0 0 0.0 0 0.0 0 0.0 0 0.0 6 17
205 205 ASN N T T X5TS- 0 0 -127.5 23.3 176.8 -102.0 118.4 86.0 202 -2.6 208 -0.9 0 0.0 0 0.0 9 21
206 206 ASN N T T 35TS- 0 0 67.0 32.3 178.2 -57.0 75.0 33.7 0 0.0 0 0.0 0 0.0 0 0.0 6 20
207 207 GLY G T e 3 T + 0 0 -75.8 -49.1 173.7 127.0 59.7 25.3 0 0.0 219 -0.6 0 0.0 0 0.0 12 29
217 217 ASP D T T 3 TS- 0 0 29.3 -157.8 -176.8 -19.2 75.7 74.3 0 0.0 219 -1.9 0 0.0 0 0.0 13 37
218 218 ASN N T T 3 TS+ 0 0 -86.0 64.9 154.4 79.4 116.7 127.6 0 0.0 0 0.0 0 0.0 0 0.0 7 29
219 219 LYS K S t < TS- 0 0 -143.3 44.2 176.5 -108.2 110.5 103.3 217 -1.9 221 -4.2 216 -0.6 0 0.0 7 23
220 220 GLY G S S S- 0 0 67.0 -55.2 173.0 -11.9 91.8 94.1 0 0.0 0 0.0 0 0.0 0 0.0 6 18
221 221 ASN N S S S+ 0 0 -165.5 139.2 161.8 29.7 120.7 143.9 219 -4.2 0 0.0 0 0.0 0 0.0 8 19
222 222 ARG R + 0 0 78.5 71.3 164.1 162.2 51.5 19.8 0 0.0 0 0.0 0 0.0 0 0.0 9 22
223 223 VAL V E E CG - 215 0 -101.4 161.8 -179.1 -148.5 24.4 137.4 215 -4.5 215 -2.0 0 0.0 0 0.0 10 28
224 224 GLN Q E E CG - 214 0 -140.4 113.1 179.2 -153.3 2.1 165.3 0 0.0 0 0.0 0 0.0 0 0.0 8 33
225 225 ILE I E E CG + 213 0 -87.0 128.8 -170.3 163.1 23.5 140.8 213 -3.6 213 -2.0 0 0.0 0 0.0 10 44
226 226 THR T E E C* + 0 0 -119.1 -27.2 -170.9 13.0 57.4 52.0 0 0.0 209 -2.7 0 0.0 0 0.0 10 34
227 227 ASN N E E CG > TS- 208 0 -153.6 169.6 -171.5 -94.5 79.5 164.7 0 0.0 230 -1.5 0 0.0 0 0.0 10 38
228 228 VAL V T e 3 TS+ 0 0 -77.4 -2.5 178.8 73.7 107.0 64.7 207 -3.0 0 0.0 0 0.0 0 0.0 11 41
229 229 THR T T T 3 TS+ 0 0 -88.8 -5.2 171.2 116.0 71.3 47.0 0 0.0 0 0.0 0 0.0 0 0.0 7 30
230 230 SER S S h > X TS- 0 0 -53.1 144.3 179.2 -122.0 77.6 99.8 227 -1.5 234 -2.5 0 0.0 233 -0.9 9 36
231 231 LYS K H H > 3>TS+ 0 0 -62.7 -30.7 175.3 66.0 111.6 33.0 0 0.0 235 -2.6 0 0.0 236 -1.2 7 33
232 232 VAL V H H > 3>TS+ 0 0 -59.7 -29.1 176.4 34.7 114.0 24.4 0 0.0 237 -3.0 0 0.0 236 -0.5 8 55
233 233 VAL V H H 4 <5TS+ 0 0 -89.1 -46.7 -175.3 41.1 122.3 27.3 230 -0.9 0 0.0 0 0.0 0 0.0 9 52
234 234 THR T H H < 5TS+ 0 0 -70.5 -30.9 -165.1 11.9 135.9 32.9 230 -2.5 0 0.0 0 0.0 0 0.0 9 33
235 235 SER S H H < 5TS+ 0 0 -126.6 -20.2 -170.6 38.4 126.1 53.7 231 -2.6 0 0.0 0 0.0 0 0.0 7 31
236 236 ASN N T h < T - 0 0 -64.4 133.6 -171.6 -126.1 21.3 108.3 240 -0.5 245 -2.5 0 0.0 0 0.0 13 44
243 243 THR T G G > TS+ 0 0 -56.6 -28.9 177.7 67.2 107.0 43.6 0 0.0 246 -1.6 0 0.0 0 0.0 9 33
244 244 ARG R G G 3 TS+ 0 0 -60.1 -27.0 -177.2 46.9 103.8 38.4 0 0.0 0 0.0 0 0.0 0 0.0 5 23
245 245 ASN N G G < T 0 0 -98.1 8.1 -174.9 999.9 999.9 78.4 242 -2.5 0 0.0 0 0.0 0 0.0 7 30
246 246 ILE I g < T 0 0 -99.6 999.9 999.9 999.9 999.9 150.2 243 -1.6 0 0.0 0 0.0 0 0.0 7 28
1mrg-.pdb
1MRG RIBOSOME-INACTIVATING PROTEIN ALPHA-MOMORCHARIN COMPLEXED WITH ADENINE BITTER GOURD (CUCURBITACEAE MOMORDICA CHARANTIA) S
author author
Kabs/Sand EEEESSS HHHHHHHHHHHHHHS EEEEETTEEEE S GGGGEEEEEEE TT EEEEEEETTT EEEEEETTEEEE SSHHHHHHTTTS TT S Kabs/Sand
chirality ----++++-++++++++++++++-+-+----+--------+-+++--------+-+--------++-+--------+-----+-+++++++++++++-+ chirality
bends SSS SSSSSSSSSSSSSSS S SSSS S SSSS SS SSS SS SSSSSSSSSSSS S S bends
turns TTTTTTTTTTTTTTTT TTTT TTTTTT TTTT TTTTT TTTT TTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >33< >>3<< >33< >>><<< >33< >33< >33< >33< >>3<< >33< 3-turns
bridge-2 a CCCCCCC DDDD EEEE ffff bridge-2
bridge-1 aaaa B**BB BB*B aaaa CCCCCCC D*DDD EEEE bridge-1
sheets AAAA BBBBB BBBB AAAAAAA AAAAAAA AAAAAA AAAA sheets
4-turns >>>>XXXXXXXX<<<< >444< >>>><>555<< 5-turns
3-turns >33< >>3<< >33< >33<>33<>33< >33< >33X 3-turns
bridge-2 bridge-2
bridge-1 ffff B C B bridge-1
sheets AAAA sheets
4-turns >>>>XX<<<< >>>>XXXXX<<<< >>>>XXXXXXXXX<4<>>XX<<<< >>>>XXX<>XXXXX< 4-turns
summary EEEEeSS ShHHHHHHHHhSgGGGg BhHHHHHHHHHHHht hHHHHHHHHHHHHHHHHHHHHhHHHHHHHHhTtSS B hHHHHHHHHHHHHHHHHHH summary
sequence RKITLPYSGDYERLQIAAGKPREKIPIGLPALDSAISTLLHYDSTAAAGALLVLIQTTAEAARFKYIEQQIQERAYRDEVPSLATISLENSWSGLSKQIQ sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHTTTTTEEEEEEEE TTSSS EEEEETTSHHHHHTB B GGG Kabs/Sand
chirality ++++--+--+-----+-+--++--++-++-++++++++----++ chirality
bends SSSSSSS SS SSSSS SSSSSSSSSS SS bends
turns TTTTTTTT TTTT TTTTTTTTTTT TTTTT turns
5-turns >5555< >>555<< 5-turns
3-turns 3><3X33< >33< >33X33< >>3<< 3-turns
bridge-2 bridge-2
bridge-1 G****GGG GGG*G C a bridge-1
sheets CCCCCCCC CCCCC sheets
4-turns <<< >>>4<<< 4-turns
summary HHhTTTeEEEEEEEEtTTtSS EEEEEeThHHHHHhB B gGGGg summary
sequence LAQGNNGIFRTPIVLVDNKGNRVQITNVTSKVVTSNIQLLLNTRNI sequence
210 220 230 240