Secondary structure calculation program - copyright by David Keith Smith, 1989
2u1a-.pdb
2U1A NUCLEAR 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 MET M 0 0 999.9 76.8 -179.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 5
2 2 ALA A - 0 0 50.0 80.3 179.9 -162.7 999.9 12.4 0 0.0 0 0.0 0 0.0 0 0.0 3 7
3 3 PRO P - 0 0 -91.3 148.0 -180.0 -123.5 24.2 131.5 0 0.0 5 -1.5 0 0.0 0 0.0 4 7
4 4 ALA A + 0 0 -90.4 66.3 -179.9 123.2 68.8 118.6 0 0.0 0 0.0 0 0.0 0 0.0 4 8
5 5 GLN Q S S S- 0 0 -126.2 152.0 179.9 -108.1 75.7 158.1 3 -1.5 7 -2.8 0 0.0 0 0.0 4 8
6 6 PRO P + 0 0 -76.6 69.4 -179.9 169.4 54.9 113.8 0 0.0 0 0.0 0 0.0 0 0.0 5 10
7 7 LEU L + 0 0 -86.3 135.3 179.7 8.2 50.1 137.5 5 -2.8 0 0.0 0 0.0 0 0.0 4 13
8 8 SER S - 0 0 70.6 140.6 179.9 -172.7 56.0 57.6 0 0.0 0 0.0 0 0.0 0 0.0 5 15
9 9 GLU E S S S+ 0 0 -135.3 -34.4 -179.9 55.9 74.0 54.3 0 0.0 0 0.0 0 0.0 0 0.0 5 15
10 10 ASN N S S S+ 0 0 -71.4 -44.1 -180.0 136.0 81.4 21.0 0 0.0 0 0.0 0 0.0 0 0.0 7 20
11 11 PRO P + 0 0 -47.1 136.7 0.2 54.2 51.7 100.1 0 0.0 0 0.0 0 0.0 0 0.0 6 23
12 12 PRO P S S S- 0 0 -77.6 134.9 180.0 -175.9 88.3 66.2 0 0.0 0 0.0 0 0.0 0 0.0 6 30
13 13 ASN N - 0 0 -95.4 157.4 -179.5 -145.1 26.9 126.5 0 0.0 0 0.0 0 0.0 0 0.0 12 34
14 14 HIS H S e S+ 0 0 -111.9 26.1 -179.3 76.0 76.9 85.8 0 0.0 57 -2.5 0 0.0 0 0.0 15 39
15 15 ILE I E E AA - 56 0 -138.2 111.3 -178.5 -173.6 56.6 159.5 0 0.0 86 -2.8 0 0.0 17 -0.5 13 42
16 16 LEU L E E AAB + 55 85 -119.1 111.9 -174.9 171.9 8.8 161.1 55 -2.7 55 -2.2 0 0.0 0 0.0 15 53
17 17 PHE F E E AAB + 54 84 -121.1 127.1 175.8 102.6 24.7 165.8 84 -2.3 84 -1.5 15 -0.5 0 0.0 12 44
18 18 LEU L E E AA - 53 0 173.9 -179.4 -174.4 -128.1 47.3 158.4 53 -2.0 53 -3.0 0 0.0 0 0.0 10 42
19 19 THR T E E AA + 52 0 -139.1 -179.8 -177.8 111.0 55.9 138.6 0 0.0 82 -1.2 0 0.0 0 0.0 11 43
20 20 ASN N e + 0 0 110.3 34.6 -178.8 106.8 62.1 56.4 51 -1.5 0 0.0 0 0.0 0 0.0 12 39
21 21 LEU L + 0 0 -142.4 76.7 179.6 121.8 40.4 125.9 51 -0.9 0 0.0 0 0.0 0 0.0 14 46
22 22 PRO P + 0 0 -112.7 -156.9 179.7 119.8 6.6 100.4 0 0.0 0 0.0 0 0.0 0 0.0 12 37
23 23 GLU E S S S- 0 0 90.3 52.2 -179.5 -43.9 111.9 31.8 0 0.0 0 0.0 0 0.0 0 0.0 7 30
24 24 GLU E S S S+ 0 0 70.4 15.2 -179.0 154.2 100.3 47.6 0 0.0 0 0.0 0 0.0 0 0.0 5 25
25 25 THR T - 0 0 -66.2 159.9 -180.0 -176.6 21.9 109.9 0 0.0 0 0.0 0 0.0 0 0.0 10 35
26 26 ASN N h > T - 0 0 -153.7 179.4 -179.7 -94.8 40.2 158.4 0 0.0 30 -2.9 0 0.0 0 0.0 10 31
27 27 GLU E H H > TS+ 0 0 -67.6 -40.5 -179.9 45.1 120.5 29.2 0 0.0 31 -1.6 0 0.0 0 0.0 11 34
28 28 LEU L H H > TS+ 0 0 -74.8 -23.0 179.7 52.7 115.8 38.0 0 0.0 32 -1.7 0 0.0 0 0.0 6 30
29 29 MET M H H > TS+ 0 0 -71.0 -59.3 179.6 33.4 117.5 13.4 0 0.0 33 -2.4 0 0.0 0 0.0 8 32
30 30 LEU L H H X TS+ 0 0 -68.1 -25.3 179.4 58.5 117.4 35.9 26 -2.9 34 -2.1 0 0.0 0 0.0 12 51
31 31 SER S H H X TS+ 0 0 -74.8 -34.9 179.2 41.5 110.3 27.3 27 -1.6 35 -1.4 0 0.0 0 0.0 10 39
32 32 MET M H H X TS+ 0 0 -79.3 -31.2 -179.0 47.4 117.2 30.6 28 -1.7 36 -2.2 0 0.0 0 0.0 8 33
33 33 LEU L H H < TS+ 0 0 -73.2 -36.6 179.0 39.5 120.1 27.3 29 -2.4 0 0.0 0 0.0 0 0.0 9 39
34 34 PHE F H H < > TS+ 0 0 -80.0 -26.9 -180.0 60.8 110.9 37.2 30 -2.1 37 -0.9 0 0.0 0 0.0 13 46
35 35 ASN N H H < 3 TS+ 0 0 -65.0 -42.1 178.4 77.8 82.5 28.5 31 -1.4 0 0.0 0 0.0 0 0.0 10 35
36 36 GLN Q T h < 3 TS+ 0 0 -34.3 -36.8 179.3 70.7 91.6 37.7 32 -2.2 0 0.0 0 0.0 0 0.0 8 31
37 37 PHE F S t X TS- 0 0 -90.7 130.1 179.9 -142.3 80.6 135.2 34 -0.9 40 -2.3 0 0.0 0 0.0 12 34
38 38 PRO P T T 3 TS+ 0 0 -63.2 -16.8 179.9 71.6 102.9 43.9 0 0.0 0 0.0 0 0.0 0 0.0 7 27
39 39 GLY G T e 3 T + 0 0 -75.5 -8.0 180.0 140.5 64.7 56.5 0 0.0 58 -2.7 0 0.0 0 0.0 12 33
40 40 PHE F E E AC < T + 57 0 -40.6 94.8 -179.6 133.5 17.8 99.2 37 -2.3 0 0.0 0 0.0 0 0.0 13 36
41 41 LYS K E E A* + 0 0 -119.4 -53.0 -179.6 17.5 59.8 41.4 56 -1.4 0 0.0 0 0.0 0 0.0 8 36
42 42 GLU E E E AC + 56 0 -127.8 139.0 -179.1 174.9 55.9 169.5 56 -2.8 56 -1.8 0 0.0 0 0.0 8 42
43 43 VAL V E E AC + 55 0 -149.1 114.3 -177.4 178.6 2.5 160.8 0 0.0 45 -0.5 0 0.0 0 0.0 13 48
44 44 ARG R E E AC + 54 0 -126.9 98.3 179.0 122.1 32.3 154.5 54 -1.9 54 -1.8 0 0.0 0 0.0 9 40
45 45 LEU L + 0 0 -154.3 90.2 -175.1 91.7 40.1 135.5 43 -0.5 0 0.0 0 0.0 0 0.0 13 40
46 46 VAL V + 0 0 -162.2 -20.7 -177.4 104.5 41.6 53.9 0 0.0 0 0.0 0 0.0 0 0.0 10 29
47 47 PRO P S S S- 0 0 -63.2 -169.6 177.8 -77.7 96.6 81.3 0 0.0 0 0.0 0 0.0 0 0.0 5 24
48 48 GLY G S S S+ 0 0 -56.4 -28.0 177.9 70.9 134.3 29.0 0 0.0 0 0.0 0 0.0 0 0.0 4 18
49 49 ARG R + 0 0 -46.2 -79.4 -176.5 173.3 61.5 19.3 0 0.0 0 0.0 0 0.0 0 0.0 8 24
50 50 HIS H + 0 0 67.4 16.7 -178.5 83.5 69.6 47.1 0 0.0 0 0.0 0 0.0 0 0.0 15 31
51 51 ASP D e + 0 0 -133.7 6.0 178.2 80.5 64.1 70.6 0 0.0 20 -1.5 0 0.0 21 -0.9 12 39
52 52 ILE I E E AA - 19 0 -119.8 114.0 -175.0 -166.8 61.4 165.4 0 0.0 54 -0.6 0 0.0 0 0.0 14 41
53 53 ALA A E E AA - 18 0 -114.7 118.4 175.7 -177.1 12.0 161.2 18 -3.0 18 -2.0 0 0.0 55 -0.5 14 53
54 54 PHE F E E AAC - 17 44 -115.5 107.6 -174.9 -178.4 12.5 167.3 44 -1.8 44 -1.9 52 -0.6 56 -0.5 12 50
55 55 VAL V E E AAC - 16 43 -123.0 112.8 177.7 -174.4 14.2 156.7 16 -2.2 16 -2.7 53 -0.5 57 -0.7 13 58
56 56 GLU E E E AAC - 15 42 -106.9 106.6 -175.0 -168.9 12.3 154.3 42 -1.8 42 -2.8 54 -0.5 41 -1.4 13 44
57 57 PHE F E E A C - 0 40 -110.7 102.8 179.6 -122.0 31.6 156.6 14 -2.5 0 0.0 55 -0.7 0 0.0 15 43
58 58 ASP D S e S+ 0 0 -8.1 -49.7 177.3 10.2 96.3 53.6 39 -2.7 0 0.0 0 0.0 0 0.0 11 31
59 59 ASN N S h > > TS- 0 0 -144.9 150.1 179.6 -117.9 74.5 176.1 0 0.0 63 -2.3 0 0.0 62 -0.7 9 33
60 60 GLU E H H > 3 TS+ 0 0 -57.7 -19.9 178.5 65.6 109.9 49.1 0 0.0 64 -2.2 0 0.0 0 0.0 12 36
61 61 VAL V H H > 3 TS+ 0 0 -69.8 -43.3 178.3 33.1 114.4 17.5 0 0.0 65 -1.4 0 0.0 0 0.0 7 31
62 62 GLN Q H H > < TS+ 0 0 -80.1 -32.0 -179.3 48.4 121.0 34.2 59 -0.7 66 -2.5 0 0.0 0 0.0 13 36
63 63 ALA A H H X TS+ 0 0 -71.0 -40.6 180.0 45.1 116.6 21.6 59 -2.3 67 -2.9 0 0.0 0 0.0 18 46
64 64 GLY G H H X TS+ 0 0 -68.2 -35.1 179.7 54.4 111.1 33.7 60 -2.2 68 -2.8 0 0.0 0 0.0 10 40
65 65 ALA A H H X TS+ 0 0 -65.9 -54.2 179.7 39.6 113.9 10.8 61 -1.4 69 -2.1 0 0.0 0 0.0 10 35
66 66 ALA A H H X TS+ 0 0 -58.7 -51.0 179.8 46.1 119.9 14.9 62 -2.5 70 -2.6 0 0.0 0 0.0 13 47
67 67 ARG R H H < TS+ 0 0 -59.3 -44.6 -179.9 46.1 115.2 23.5 63 -2.9 0 0.0 0 0.0 0 0.0 10 52
68 68 ASP D H H < > TS+ 0 0 -71.0 -27.6 179.8 56.7 110.5 38.3 64 -2.8 71 -0.6 0 0.0 0 0.0 7 33
69 69 ALA A H H < 3 TS+ 0 0 -69.6 -51.1 179.9 20.3 124.8 13.4 65 -2.1 0 0.0 0 0.0 0 0.0 6 29
70 70 LEU L T h < > TS+ 0 0 -109.7 38.0 -179.8 143.1 84.0 98.8 66 -2.6 72 -2.0 0 0.0 73 -1.0 7 40
71 71 GLN Q T T < TS+ 0 0 -68.5 40.7 179.8 27.1 78.0 94.2 68 -0.6 0 0.0 0 0.0 0 0.0 7 34
72 72 GLY G T T 3 TS- 0 0 167.7 46.9 -178.2 -176.8 71.5 82.1 70 -2.0 74 -1.9 0 0.0 0 0.0 6 26
73 73 PHE F t < T - 0 0 -66.8 90.4 177.6 -137.9 28.6 121.5 70 -1.0 75 -4.4 0 0.0 81 -2.3 9 33
74 74 LYS K g > T + 0 0 -42.7 48.2 174.5 133.3 64.5 98.1 72 -1.9 77 -2.2 0 0.0 0 0.0 9 23
75 75 ILE I G G > > T + 0 0 -67.7 -22.8 174.9 84.9 65.2 32.1 73 -4.4 78 -2.8 0 0.0 79 -1.6 12 26
76 76 THR T G G 4 3 T + 0 0 -41.3 -24.0 174.8 89.3 52.3 53.6 79 -0.8 0 0.0 78 -0.5 0 0.0 8 19
77 77 GLN Q G G 4 < TS- 0 0 -47.2 -16.8 174.9 -7.1 130.7 35.6 74 -2.2 0 0.0 0 0.0 0 0.0 6 14
78 78 ASN N T g 4 < TS- 0 0 -137.6 -49.8 177.7 -3.7 162.1 70.4 75 -2.8 76 -0.5 0 0.0 0 0.0 6 17
79 79 ASN N t < T - 0 0 -151.2 128.1 177.8 -121.4 67.7 156.3 75 -1.6 76 -0.8 0 0.0 0 0.0 8 22
80 80 ALA A - 0 0 -67.7 125.7 -175.7 -102.9 53.3 119.8 0 0.0 0 0.0 0 0.0 0 0.0 12 26
81 81 MET M - 0 0 -52.5 158.2 -178.3 -137.6 31.5 90.0 73 -2.3 0 0.0 0 0.0 0 0.0 12 38
82 82 LYS K + 0 0 -129.6 117.2 -179.2 167.6 27.3 167.7 19 -1.2 0 0.0 0 0.0 0 0.0 8 39
83 83 ILE I - 0 0 -130.1 116.4 -174.8 -169.6 12.7 174.4 0 0.0 85 -0.5 0 0.0 0 0.0 11 49
84 84 SER S E E AB - 17 0 -121.2 106.3 176.8 -128.4 20.9 162.5 17 -1.5 17 -2.3 0 0.0 0 0.0 9 39
85 85 PHE F E E AB - 16 0 -39.9 157.3 179.7 -99.6 37.9 84.9 83 -0.5 87 -2.0 0 0.0 0 0.0 9 41
86 86 ALA A e - 0 0 -80.0 49.0 -179.3 -176.5 56.6 97.8 15 -2.8 0 0.0 0 0.0 0 0.0 9 33
87 87 LYS K 0 0 -51.3 126.7 -179.7 999.9 999.9 100.7 85 -2.0 0 0.0 0 0.0 0 0.0 7 26
88 88 LYS K 0 0 -138.8 999.9 999.9 999.9 999.9 63.8 0 0.0 0 0.0 0 0.0 0 0.0 3 15
2u1a-.pdb
2U1A NUCLEAR PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand S SS S SEEEEE SS HHHHHHHHHTSTTEEEEE SS EEEEEESSHHHHHHHHHHTTT GGGT EE Kabs/Sand
chirality --+-++-+++--+-++-++++-+--++++++++++-+++++++++-++++------+-++++++++++++--+++-----+---- chirality
bends S SS S S SS SSSSSSSSSSSS SS SSSSSSSSSSSSSSS SS bends
turns TTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >33X33< >33< >3><3<>>3<< 3-turns
bridge-2 BB CCCC bridge-2
bridge-1 AAAAA C*CCC AAAAA BB bridge-1
sheets AAAAA AAAAA AAAAAA AA sheets
4-turns >>>>XXX<<<< >>>>XXXX<<<< >444< 4-turns
summary S SS S eEEEEEe SS hHHHHHHHHHhtTeEEEEE SS eEEEEEEehHHHHHHHHHHhTTtgGGGgt EEe summary
sequence MAPAQPLSENPPNHILFLTNLPEETNELMLSMLFNQFPGFKEVRLVPGRHDIAFVEFDNEVQAGAARDALQGFKITQNNAMKISFAKK sequence
10 20 30 40 50 60 70 80