Secondary structure calculation program - copyright by David Keith Smith, 1989
1ab3-.pdb
1AB3 RIBOSOMAL PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 88
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 PRO P 0 0 999.9 -38.0 -179.8 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 13
2 2 ILE I - 0 0 -63.3 -98.6 -179.9 -148.2 999.9 26.0 0 0.0 0 0.0 0 0.0 0 0.0 5 14
3 3 THR T S g > TS+ 0 0 165.3 -110.0 -179.6 17.5 71.0 136.0 0 0.0 6 -1.8 0 0.0 0 0.0 6 11
4 4 LYS K G G > TS+ 0 0 -62.7 -29.6 -179.4 55.2 126.2 33.3 0 0.0 7 -0.9 0 0.0 0 0.0 6 11
5 5 GLU E G G 3 TS+ 0 0 -87.3 13.0 179.0 83.8 86.2 71.1 0 0.0 0 0.0 0 0.0 0 0.0 7 14
6 6 GLU E G G < TS+ 0 0 -91.0 -0.8 179.9 25.3 105.6 62.4 3 -1.8 0 0.0 0 0.0 0 0.0 9 23
7 7 LYS K S g < TS+ 0 0 -140.4 2.3 179.8 115.1 81.1 72.7 4 -0.9 0 0.0 0 0.0 0 0.0 9 26
8 8 GLN Q S S S- 0 0 -47.8 -28.5 -180.0 -34.1 115.3 33.4 0 0.0 0 0.0 0 0.0 0 0.0 7 17
9 9 LYS K S S S+ 0 0 176.0 33.3 -179.9 104.9 113.8 77.8 0 0.0 0 0.0 0 0.0 0 0.0 9 25
10 10 VAL V S t > TS- 0 0 -90.1 -75.6 -179.8 -3.8 101.4 25.3 0 0.0 14 -1.2 0 0.0 0 0.0 9 36
11 11 ILE I T T 4 TS+ 0 0 -85.2 -46.5 179.9 71.7 123.0 25.3 0 0.0 0 0.0 0 0.0 0 0.0 11 35
12 12 GLN Q T T 4 TS+ 0 0 -38.4 -32.9 178.4 34.6 112.9 32.8 0 0.0 0 0.0 0 0.0 0 0.0 10 27
13 13 GLU E T T 4 TS+ 0 0 -91.1 -39.9 179.6 23.8 137.0 32.2 0 0.0 0 0.0 0 0.0 0 0.0 7 30
14 14 PHE F S t < TS+ 0 0 -89.1 -67.7 -179.9 58.6 116.7 21.7 10 -1.2 0 0.0 0 0.0 0 0.0 12 35
15 15 ALA A - 0 0 -66.1 119.0 179.0 -165.7 63.5 118.7 0 0.0 0 0.0 0 0.0 0 0.0 14 28
16 16 ARG R S S S+ 0 0 -93.9 29.9 -179.7 39.6 71.5 88.1 0 0.0 0 0.0 0 0.0 0 0.0 9 23
17 17 PHE F S t > TS- 0 0 -163.7 169.0 179.1 -96.7 95.4 167.9 0 0.0 20 -0.5 0 0.0 0 0.0 7 19
18 18 PRO P T T 3 TS+ 0 0 -74.0 0.6 179.5 29.3 128.9 63.4 0 0.0 0 0.0 0 0.0 0 0.0 6 17
19 19 GLY G T T > TS+ 0 0 -140.5 5.8 179.9 90.8 93.8 73.9 0 0.0 22 -0.8 0 0.0 0 0.0 7 18
20 20 ASP D T T < TS+ 0 0 -90.6 19.8 179.1 80.0 70.9 77.8 17 -0.5 0 0.0 0 0.0 0 0.0 11 22
21 21 THR T T T 3 TS+ 0 0 -95.9 -20.0 179.1 51.8 88.8 48.1 0 0.0 0 0.0 0 0.0 0 0.0 12 26
22 22 GLY G S t < TS+ 0 0 -90.9 -9.5 179.7 113.0 86.5 54.5 19 -0.8 0 0.0 0 0.0 0 0.0 8 23
23 23 SER S S h > TS- 0 0 -51.3 174.8 -180.0 -106.4 85.5 86.2 0 0.0 27 -0.9 0 0.0 0 0.0 9 27
24 24 THR T H H > TS+ 0 0 -78.9 -27.7 -179.9 54.1 117.1 36.1 0 0.0 28 -2.2 0 0.0 0 0.0 6 40
25 25 GLU E H H > TS+ 0 0 -69.6 -59.9 -179.9 46.2 107.5 7.8 0 0.0 29 -1.6 0 0.0 0 0.0 8 47
26 26 VAL V H H > TS+ 0 0 -52.1 -32.0 -180.0 54.0 113.4 31.3 0 0.0 30 -1.7 0 0.0 0 0.0 13 42
27 27 GLN Q H H X TS+ 0 0 -69.9 -49.7 179.1 58.4 98.6 14.5 23 -0.9 31 -1.7 0 0.0 0 0.0 10 45
28 28 VAL V H H X TS+ 0 0 -47.7 -32.9 178.7 53.1 106.5 28.1 24 -2.2 32 -0.8 0 0.0 0 0.0 13 48
29 29 ALA A H H X > TS+ 0 0 -69.0 -45.0 179.0 49.1 106.2 17.8 25 -1.6 32 -1.3 0 0.0 33 -1.2 10 47
30 30 LEU L H H X 3 TS+ 0 0 -66.9 -12.1 179.9 70.9 99.7 46.4 26 -1.7 34 -1.9 0 0.0 0 0.0 8 46
31 31 LEU L H H < 3 TS+ 0 0 -71.7 -31.4 -179.6 50.4 96.4 31.8 27 -1.7 0 0.0 0 0.0 0 0.0 12 40
32 32 THR T H H X X TS+ 0 0 -72.1 -46.6 -179.9 50.3 108.6 20.1 29 -1.3 36 -2.0 28 -0.8 35 -0.7 11 38
33 33 LEU L H H X 3 TS+ 0 0 -56.8 -56.7 -179.9 50.9 108.3 11.8 29 -1.2 37 -2.4 0 0.0 0 0.0 8 37
34 34 ARG R H H < 3 TS+ 0 0 -54.7 -18.4 -179.9 58.6 108.5 41.2 30 -1.9 0 0.0 0 0.0 0 0.0 10 34
35 35 ILE I H H > X TS+ 0 0 -76.3 -55.1 -179.3 41.2 107.0 15.1 32 -0.7 38 -1.5 0 0.0 39 -1.1 10 32
36 36 ASN N H H X 3 TS+ 0 0 -60.6 -41.3 -179.5 46.8 118.7 24.2 32 -2.0 40 -0.8 0 0.0 0 0.0 8 26
37 37 ARG R H H < 3 TS+ 0 0 -83.7 10.1 179.1 70.9 101.6 67.9 33 -2.4 0 0.0 0 0.0 0 0.0 8 25
38 38 LEU L H H 4 X TS+ 0 0 -91.4 -36.9 -179.9 46.8 96.4 34.5 35 -1.5 41 -0.9 0 0.0 0 0.0 8 27
39 39 SER S H H < 3 TS+ 0 0 -75.6 -27.7 -179.8 54.4 110.1 36.1 35 -1.1 0 0.0 0 0.0 0 0.0 8 21
40 40 GLU E T h < 3 TS+ 0 0 -90.9 20.4 180.0 92.9 86.7 79.4 36 -0.8 0 0.0 0 0.0 0 0.0 8 18
41 41 HIS H S t > X TS+ 0 0 -75.2 -69.8 -179.8 28.0 93.7 10.1 38 -0.9 45 -2.4 0 0.0 44 -1.0 8 23
42 42 LEU L T T 4 3 TS+ 0 0 -70.2 -4.0 179.9 81.4 106.8 55.1 0 0.0 0 0.0 0 0.0 0 0.0 7 20
43 43 LYS K T T 4 3 TS+ 0 0 -86.0 18.4 179.7 10.7 115.3 76.3 0 0.0 0 0.0 0 0.0 0 0.0 6 16
44 44 VAL V T T 4 < TS+ 0 0 -158.7 -39.7 179.3 95.0 107.5 73.8 41 -1.0 0 0.0 0 0.0 0 0.0 6 14
45 45 HIS H t < T + 0 0 -50.5 -176.6 179.9 177.5 41.1 79.8 41 -2.4 0 0.0 0 0.0 0 0.0 7 16
46 46 LYS K + 0 0 176.3 33.3 -180.0 32.5 66.0 77.5 0 0.0 0 0.0 0 0.0 0 0.0 5 11
47 47 LYS K S S S+ 0 0 164.7 72.0 179.9 81.8 86.0 86.9 0 0.0 0 0.0 0 0.0 0 0.0 4 11
48 48 ASP D - 0 0 178.5 58.8 179.9 -179.3 48.0 89.8 0 0.0 0 0.0 0 0.0 0 0.0 6 13
49 49 HIS H + 0 0 -54.1 -170.1 180.0 70.5 61.5 78.6 0 0.0 0 0.0 0 0.0 0 0.0 4 15
50 50 HIS H S S S+ 0 0 66.6 22.5 -180.0 165.9 73.2 38.3 0 0.0 0 0.0 0 0.0 0 0.0 5 14
51 51 SER S + 0 0 -54.3 -168.0 179.9 67.5 45.7 76.1 0 0.0 0 0.0 0 0.0 0 0.0 5 22
52 52 HIS H t > T - 0 0 60.5 23.7 180.0 -173.5 69.7 37.0 0 0.0 55 -1.3 0 0.0 54 -1.1 6 25
53 53 ARG R T T 3 TS- 0 0 -52.3 92.7 -180.0 -43.3 76.2 105.1 0 0.0 0 0.0 0 0.0 0 0.0 6 19
54 54 GLY G T T 3 TS+ 0 0 51.0 25.2 -180.0 138.1 104.9 36.0 52 -1.1 0 0.0 0 0.0 0 0.0 5 17
55 55 LEU L t < T + 0 0 -89.8 31.6 180.0 76.5 50.6 88.6 52 -1.3 0 0.0 0 0.0 0 0.0 9 28
56 56 LEU L S h > > TS+ 0 0 -106.7 -40.2 -179.9 73.3 71.3 40.4 0 0.0 60 -2.0 0 0.0 59 -1.0 8 28
57 57 MET M H H > 3 TS+ 0 0 -45.2 -32.2 180.0 64.0 92.0 33.1 0 0.0 61 -0.7 0 0.0 0 0.0 7 28
58 58 MET M H H 4 > TS+ 0 0 -59.9 -50.7 -180.0 43.0 104.3 14.9 0 0.0 61 -0.8 0 0.0 0 0.0 12 34
59 59 VAL V H H > X TS+ 0 0 -61.3 -48.6 179.9 47.0 116.2 16.3 56 -1.0 63 -1.9 0 0.0 62 -1.1 10 32
60 60 GLY G H H < 3 TS+ 0 0 -69.6 -6.0 -179.8 75.5 98.4 53.1 56 -2.0 0 0.0 0 0.0 0 0.0 9 30
61 61 GLN Q T h < < TS+ 0 0 -90.9 21.3 179.8 21.2 111.7 80.1 58 -0.8 0 0.0 57 -0.7 0 0.0 10 38
62 62 ARG R T T 4 X TS+ 0 0 -152.0 -38.3 179.9 73.4 105.7 67.3 59 -1.1 65 -1.0 0 0.0 0 0.0 12 41
63 63 ARG R T T < 3 TS+ 0 0 -61.3 -13.6 179.9 10.2 127.1 45.5 59 -1.9 0 0.0 0 0.0 0 0.0 7 28
64 64 ARG R T g > TS+ 0 0 -154.5 33.8 179.9 133.1 81.5 88.8 0 0.0 67 -1.2 0 0.0 0 0.0 8 32
65 65 LEU L G G > X TS+ 0 0 -59.7 -28.4 179.9 64.2 74.1 32.8 62 -1.0 68 -1.6 0 0.0 69 -1.4 12 41
66 66 LEU L G G 4 3>TS+ 0 0 -64.3 -31.9 -179.9 72.0 85.1 30.9 0 0.0 71 -1.5 0 0.0 0 0.0 9 33
67 67 ARG R G G 4 <5TS+ 0 0 -57.6 -15.1 -179.7 24.8 114.8 44.4 64 -1.2 0 0.0 0 0.0 0 0.0 7 26
68 68 TYR Y T g > <5TS+ 0 0 -112.8 -74.6 -179.6 20.4 136.5 44.2 65 -1.6 72 -2.0 0 0.0 0 0.0 8 29
69 69 LEU L T g < >5TS+ 0 0 -63.0 -64.4 -179.6 45.8 128.4 3.8 65 -1.4 72 -0.8 0 0.0 0 0.0 11 30
70 70 GLN Q G G 4 >5TS+ 0 0 -49.0 -29.2 -179.4 55.1 113.5 33.8 0 0.0 73 -0.7 0 0.0 0 0.0 12 27
71 71 ARG R G G 4 3 TS+ 0 0 -75.8 -42.7 179.0 57.1 101.3 22.4 0 0.0 78 -0.8 0 0.0 0 0.0 7 18
76 76 ARG R G G > > TS+ 0 0 -60.1 -16.3 179.7 73.9 93.7 42.2 0 0.0 79 -0.9 0 0.0 80 -0.6 9 27
77 77 TYR Y G G 4 3 TS+ 0 0 -87.3 36.3 -179.6 52.7 93.6 92.7 0 0.0 0 0.0 0 0.0 0 0.0 12 30
78 78 ARG R G G 4 < TS+ 0 0 -156.0 27.3 179.7 52.3 101.1 83.6 75 -0.8 0 0.0 0 0.0 0 0.0 8 26
79 79 ALA A T g 4 X TS+ 0 0 -129.9 -66.6 178.8 34.4 109.9 56.9 76 -0.9 82 -1.2 0 0.0 0 0.0 8 31
80 80 LEU L T T < 3 TS+ 0 0 -72.2 -1.7 178.7 78.9 104.9 55.3 76 -0.6 0 0.0 0 0.0 0 0.0 9 43
81 81 ILE I T T >>TS+ 0 0 -72.9 -33.3 179.4 41.1 97.9 28.3 0 0.0 86 -1.0 0 0.0 84 -0.6 10 37
82 82 GLU E T T <5TS+ 0 0 -90.7 -0.7 -179.6 47.6 119.1 61.1 79 -1.2 0 0.0 0 0.0 0 0.0 9 24
83 83 LYS K T T 35TS+ 0 0 -127.7 30.9 -180.0 33.0 116.7 88.7 0 0.0 0 0.0 0 0.0 0 0.0 6 30
84 84 LEU L T T <5TS- 0 0 -145.6 -61.4 -178.8 -87.6 106.9 65.2 81 -0.6 0 0.0 0 0.0 0 0.0 9 42
85 85 GLY G T T 5TS+ 0 0 140.2 49.9 -178.4 133.2 71.7 62.3 0 0.0 0 0.0 0 0.0 0 0.0 9 33
86 86 ILE I S t 5555< >5555< 5-turns
3-turns >>3<< >3><3< >33X33X33X33X33< >33<>3>X3X3<<>>3<< >>3<3< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >444< >>>>XXXXX<4<<>444< >>4><<4< >44><44< >444< 4-turns
summary gGGGgSStTTTt StTTTTthHHHHHHHHHHHHHHHHhtTTTt S S tTTthHHHHhTTgGGGggGGGgSgGGGgTTTTTTt summary
sequence PITKEEKQKVIQEFARFPGDTGSTEVQVALLTLRINRLSEHLKVHKKDHHSHRGLLMMVGQRRRLLRYLQREDPERYRALIEKLGIRG sequence
10 20 30 40 50 60 70 80