Secondary structure calculation program - copyright by David Keith Smith, 1989
1d3bA.pdb
1D3B RNA BINDING PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 72
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 4 GLY G 0 0 999.9 -151.3 178.2 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 10
2 A 5 VAL V h > > T - 0 0 -86.7 150.6 -178.3 -106.7 999.9 134.2 0 0.0 6 -2.0 0 0.0 5 -0.9 5 15
3 A 6 PRO P H H > 3 TS+ 0 0 -44.3 -47.4 178.9 52.9 120.0 30.6 0 0.0 7 -2.6 0 0.0 0 0.0 6 25
4 A 7 ILE I H H > 3 TS+ 0 0 -60.5 -36.6 179.0 51.1 108.0 27.7 0 0.0 8 -2.6 0 0.0 0 0.0 8 27
5 A 8 LYS K H H > < TS+ 0 0 -67.6 -35.7 179.9 52.2 108.3 26.2 2 -0.9 9 -2.2 0 0.0 0 0.0 8 23
6 A 9 VAL V H H X TS+ 0 0 -63.3 -43.9 178.7 49.9 109.7 15.1 2 -2.0 10 -0.7 0 0.0 0 0.0 9 31
7 A 10 LEU L H H < > TS+ 0 0 -59.9 -46.5 178.9 53.4 107.3 20.2 3 -2.6 10 -1.7 0 0.0 0 0.0 11 40
8 A 11 HIS H H H < > TS+ 0 0 -58.1 -38.1 178.1 59.1 102.6 23.0 4 -2.6 11 -1.9 0 0.0 0 0.0 9 33
9 A 12 GLU E H H < 3 TS+ 0 0 -64.3 -16.4 178.7 61.0 97.4 44.7 5 -2.2 0 0.0 0 0.0 0 0.0 6 29
10 A 13 ALA A T h < X TS+ 0 0 -85.5 -6.9 178.3 120.2 73.7 54.8 7 -1.7 13 -3.3 6 -0.7 0 0.0 12 37
11 A 14 GLU E T T < TS+ 0 0 -59.8 123.8 -178.2 25.8 79.5 111.9 8 -1.9 0 0.0 0 0.0 0 0.0 11 36
12 A 15 GLY G T T 3 TS+ 0 0 102.4 -9.3 179.6 92.9 111.1 75.5 29 -3.6 0 0.0 0 0.0 0 0.0 8 30
13 A 16 HIS H S e < TS- 0 0 -111.6 167.1 178.4 -93.8 85.0 132.0 10 -3.3 29 -2.9 0 0.0 0 0.0 10 30
14 A 17 ILE I E E AA - 28 0 -81.8 133.0 178.6 -179.9 46.5 127.1 0 0.0 0 0.0 0 0.0 0 0.0 11 37
15 A 18 VAL V E E AA - 27 0 -127.9 159.1 176.8 -136.1 23.8 156.5 27 -3.2 27 -2.8 0 0.0 0 0.0 13 47
16 A 19 THR T E E AAB - 26 69 -114.4 132.3 179.7 -165.0 19.0 165.5 69 -1.9 69 -3.2 0 0.0 0 0.0 11 52
17 A 20 CYS C E E AAB - 25 68 -122.1 118.9 177.4 -167.4 3.4 168.1 25 -3.4 25 -3.3 0 0.0 19 -0.6 12 52
18 A 21 GLU E E E AAB - 24 67 -105.8 121.8 -179.4 -145.3 16.1 156.5 67 -3.0 66 -3.0 0 0.0 67 -1.7 12 40
19 A 22 THR T E E A B> T - 0 65 -79.8 169.5 179.1 -107.2 25.5 104.7 23 -2.6 22 -1.6 17 -0.6 0 0.0 11 35
20 A 23 ASN N T e 3 TS+ 0 0 -69.7 -14.7 178.5 50.4 120.6 48.5 64 -2.8 0 0.0 0 0.0 0 0.0 8 23
21 A 24 THR T T T 3 TS- 0 0 -107.1 10.1 176.5 -98.2 124.7 75.1 0 0.0 0 0.0 0 0.0 0 0.0 6 23
22 A 25 GLY G S t < TS+ 0 0 92.7 5.1 178.3 139.6 73.6 57.3 19 -1.6 0 0.0 0 0.0 0 0.0 8 26
23 A 26 GLU E e - 0 0 -81.2 142.9 179.1 -147.7 40.1 127.2 0 0.0 19 -2.6 0 0.0 25 -0.5 11 37
24 A 27 VAL V E E AAC - 18 46 -116.6 122.0 178.4 -172.7 13.0 165.0 46 -3.0 46 -2.8 0 0.0 26 -0.5 11 45
25 A 28 TYR Y E E AAC - 17 45 -110.1 119.3 180.0 -177.4 7.1 161.7 17 -3.3 17 -3.4 23 -0.5 0 0.0 11 50
26 A 29 ARG R E E AAC + 16 44 -122.2 126.8 179.1 83.8 29.0 164.5 44 -2.8 44 -2.5 24 -0.5 0 0.0 11 47
27 A 30 GLY G E E AA* S- 15 0 174.5 -171.2 -177.9 -28.0 72.9 174.6 15 -2.8 15 -3.2 0 0.0 0 0.0 13 42
28 A 31 LYS K E E AAC - 14 41 -74.4 120.7 178.2 -136.8 49.7 119.4 41 -1.7 41 -2.2 0 0.0 30 -0.7 13 39
29 A 32 LEU L E E A C + 0 40 -75.7 115.0 179.9 172.6 27.9 133.0 13 -2.9 12 -3.6 0 0.0 0 0.0 15 46
30 A 33 ILE I E E A * - 0 0 -91.5 -42.7 179.5 -4.4 66.1 33.3 39 -2.8 0 0.0 28 -0.7 0 0.0 11 37
31 A 34 GLU E E E A C - 0 39 -162.0 134.9 176.9 -163.8 50.7 156.6 39 -1.9 39 -3.4 0 0.0 0 0.0 10 39
32 A 35 ALA A E E A C - 0 38 -110.0 137.1 178.1 -148.3 21.3 156.0 0 0.0 0 0.0 0 0.0 0 0.0 13 43
33 A 36 GLU E e > T - 0 0 -102.8 167.0 179.8 -92.7 35.6 128.5 37 -2.3 36 -3.2 0 0.0 0 0.0 7 31
34 A 37 ASP D T T 3 TS+ 0 0 -46.5 -35.3 178.6 51.2 128.0 41.6 0 0.0 0 0.0 0 0.0 0 0.0 6 25
35 A 38 ASN N T T 3 TS- 0 0 -90.1 9.8 177.4 -107.7 121.1 74.5 0 0.0 0 0.0 0 0.0 0 0.0 6 25
36 A 39 MET M t < T + 0 0 77.7 7.8 176.2 153.3 66.0 59.2 33 -3.2 0 0.0 0 0.0 0 0.0 11 40
37 A 40 ASN N e - 0 0 -64.2 131.1 -178.0 -148.8 34.6 125.6 0 0.0 33 -2.3 0 0.0 0 0.0 12 40
38 A 41 CYS C E E ACD - 32 60 -120.4 132.7 176.8 -156.3 19.7 160.6 60 -3.5 60 -2.8 0 0.0 40 -0.6 13 51
39 A 42 A GLN Q E E ACD + 31 59 -97.8 120.7 -177.9 177.8 27.4 150.1 31 -3.4 30 -2.8 0 0.0 31 -1.9 12 44
40 A 43 MET M E E ACD - 29 58 -127.2 153.7 -179.7 -157.2 12.3 157.3 58 -2.5 58 -2.4 38 -0.6 0 0.0 14 44
41 A 44 SER S E E ACD + 28 57 -133.5 160.0 -178.5 17.2 65.6 155.6 28 -2.2 28 -1.7 0 0.0 0 0.0 12 33
42 A 45 ASN N E E A** S+ 0 0 46.1 62.6 -176.5 178.3 86.3 16.6 56 -2.2 0 0.0 0 0.0 0 0.0 10 32
43 A 46 ILE I E E A*D - 0 55 -99.2 161.5 175.0 -148.0 34.7 124.8 55 -2.6 55 -1.8 0 0.0 0 0.0 14 37
44 A 47 THR T E E ACD - 26 54 -119.0 125.5 -179.0 -161.4 24.3 172.6 26 -2.5 26 -2.8 0 0.0 0 0.0 11 34
45 A 48 VAL V E E ACD - 25 53 -116.5 140.6 175.5 -161.9 14.1 156.5 53 -3.7 53 -2.5 0 0.0 47 -0.5 12 38
46 A 49 THR T E E ACD - 24 52 -114.2 119.8 -177.1 -152.0 19.5 167.6 24 -2.8 24 -3.0 0 0.0 0 0.0 12 28
47 A 50 TYR Y e > T - 0 0 -86.4 173.1 -178.3 -92.1 33.5 111.0 51 -2.6 50 -2.0 45 -0.5 0 0.0 10 25
48 A 51 ARG R T T 3 TS+ 0 0 -54.5 -34.8 -179.9 51.6 125.8 42.8 0 0.0 0 0.0 0 0.0 0 0.0 8 19
49 A 52 ASP D T T 3 TS- 0 0 -87.6 7.1 179.9 -102.1 123.4 73.5 0 0.0 0 0.0 0 0.0 0 0.0 5 14
50 A 53 GLY G S t < TS+ 0 0 88.1 -1.1 -179.9 151.3 70.1 62.0 47 -2.0 0 0.0 0 0.0 0 0.0 6 18
51 A 54 ARG R e - 0 0 -64.0 131.4 178.5 -151.0 33.6 118.0 0 0.0 47 -2.6 0 0.0 0 0.0 7 17
52 A 55 VAL V E E AD + 46 0 -108.6 133.8 -179.6 153.3 27.0 156.9 0 0.0 0 0.0 0 0.0 0 0.0 8 21
53 A 56 ALA A E E AD - 45 0 -148.1 173.3 -179.0 -122.7 32.7 151.9 45 -2.5 45 -3.7 0 0.0 0 0.0 7 22
54 A 57 GLN Q E E AD - 44 0 -124.0 154.2 177.4 -173.8 18.1 158.1 0 0.0 0 0.0 0 0.0 0 0.0 8 25
55 A 58 LEU L E E AD - 43 0 -144.7 141.9 -179.7 -137.3 25.9 174.6 43 -1.8 43 -2.6 0 0.0 0 0.0 10 27
56 A 59 GLU E E E A* S+ 0 0 -68.9 -33.2 -177.9 2.8 87.6 33.2 0 0.0 42 -2.2 0 0.0 0 0.0 7 23
57 A 60 GLN Q E E AD - 41 0 -156.5 142.6 179.8 -179.8 62.4 169.5 0 0.0 0 0.0 0 0.0 0 0.0 9 31
58 A 61 VAL V E E AD - 40 0 -141.2 158.4 177.1 -148.2 18.8 161.5 40 -2.4 40 -2.5 0 0.0 0 0.0 9 40
59 A 62 TYR Y E E AD - 39 0 -127.5 106.6 -179.0 -171.4 18.6 167.1 0 0.0 61 -0.6 0 0.0 0 0.0 8 41
60 A 63 ILE I E E AD - 38 0 -105.5 120.9 -178.9 -135.1 18.8 156.6 38 -2.8 38 -3.5 0 0.0 0 0.0 10 48
61 A 64 ARG R g > T - 0 0 -72.6 144.3 -179.6 -127.9 13.2 119.5 59 -0.6 64 -1.5 0 0.0 0 0.0 9 34
62 A 65 GLY G G G > TS+ 0 0 -62.9 -30.7 179.4 63.0 107.6 32.6 0 0.0 65 -1.7 0 0.0 0 0.0 9 36
63 A 66 CYS C G G 3 TS+ 0 0 -69.6 -8.5 178.1 52.7 102.1 50.7 0 0.0 0 0.0 0 0.0 0 0.0 6 25
64 A 67 LYS K G e < TS+ 0 0 -103.0 0.9 -176.7 105.2 90.0 67.1 61 -1.5 20 -2.8 0 0.0 0 0.0 9 27
65 A 68 ILE I E E AB < T + 19 0 -93.7 130.0 176.4 178.9 40.6 135.6 62 -1.7 0 0.0 0 0.0 0 0.0 12 37
66 A 69 ARG R E E A* S- 0 0 -84.5 -56.1 176.9 -27.6 75.5 23.4 18 -3.0 0 0.0 0 0.0 0 0.0 8 28
67 A 70 PHE F E E AB - 18 0 -156.5 162.4 175.0 -138.9 51.4 170.1 18 -1.7 18 -3.0 0 0.0 0 0.0 7 33
68 A 71 LEU L E E AB - 17 0 -119.2 141.3 176.1 -144.3 14.1 165.0 0 0.0 70 -0.6 0 0.0 0 0.0 9 50
69 A 72 ILE I E E AB - 16 0 -108.1 116.6 -178.6 -166.6 25.6 161.2 16 -3.2 16 -1.9 0 0.0 0 0.0 7 37
70 A 73 LEU L - 0 0 -101.5 164.5 179.7 -86.7 26.7 127.9 68 -0.6 0 0.0 0 0.0 0 0.0 9 37
71 A 74 PRO P 0 0 -66.4 149.1 177.7 999.9 999.9 108.5 0 0.0 0 0.0 0 0.0 0 0.0 7 24
72 A 75 ASP D 0 0 72.1 999.9 999.9 999.9 999.9 123.7 0 0.0 0 0.0 0 0.0 0 0.0 2 15
1d3bA.pdb
1D3B RNA BINDING PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHHTTTSEEEEEETTS EEEEEEEEE TT EEEEEEEEE TTS EEEEEEEEE GGGEEEEE Kabs/Sand
chirality -++++++++++-------+-+---+--+----+-+--+-++-----+-+-+---+-----++++----- chirality
bends SSSSSSSSSSS SSS S SS S SSS S SSS S bends
turns TTTTTTTTTTTT TTTT TTTT TTTT TTTTT turns
5-turns 5-turns
3-turns >33< >>3X<3< >33< >33< >33< >>3<< 3-turns
bridge-2 BBBB CCC*CC*CC DDDD*DDDD bridge-2
bridge-1 AAAAA AAAAA CCCC**CCC DDDD*DDDD B*BBB bridge-1
sheets AAAAAA AAAAAAAAA AAAAAAAAA AAAAAAAAA AAAAA sheets
4-turns >>>>X<<<< 4-turns
summary hHHHHHHHhTTeEEEEEEeTteEEEEEEEEEeTTteEEEEEEEEEeTTteEEEEEEEEEgGGeEEEEE summary
sequence GVPIKVLHEAEGHIVTCETNTGEVYRGKLIEAEDNMNCQMSNITVTYRDGRVAQLEQVYIRGCKIRFLILPD sequence
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