Secondary structure calculation program - copyright by David Keith Smith, 1989
1esrA.pdb
1ESR CYTOKINE MOL_ID: 1; MOL_ID: 1;
Sequence length - 75
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 2 PRO P t > T 0 0 999.9 162.9 -176.7 999.9 999.9 999.9 0 0.0 4 -1.2 0 0.0 0 0.0 4 6
2 A 3 ASP D T T 3 T + 0 0 -72.9 -0.2 -179.7 76.5 999.9 57.5 0 0.0 0 0.0 0 0.0 0 0.0 5 7
3 A 4 SER S T T > TS+ 0 0 -77.7 -30.4 176.1 60.8 85.5 39.0 0 0.0 6 -0.9 0 0.0 0 0.0 5 10
4 A 5 VAL V T T < TS+ 0 0 -71.2 -10.9 -178.8 53.2 101.4 58.4 1 -1.2 0 0.0 0 0.0 0 0.0 5 12
5 A 6 SER S T T 3 TS+ 0 0 -114.6 13.7 170.8 114.0 80.7 73.5 0 0.0 0 0.0 0 0.0 0 0.0 6 10
6 A 7 ILE I S t < TS- 0 0 -76.0 140.0 177.5 -105.7 77.9 127.2 3 -0.9 0 0.0 0 0.0 0 0.0 6 13
7 A 8 PRO P - 0 0 -65.5 151.9 -178.7 -144.4 33.2 112.8 0 0.0 0 0.0 0 0.0 0 0.0 4 16
8 A 9 ILE I - 0 0 -124.7 129.9 179.5 -140.5 2.2 166.1 0 0.0 0 0.0 0 0.0 0 0.0 5 23
9 A 10 THR T + 0 0 -91.7 133.1 -179.4 171.9 29.4 136.9 0 0.0 0 0.0 0 0.0 0 0.0 6 31
10 A 11 CYS C - 0 0 -129.9 168.0 168.5 -121.9 35.5 149.8 0 0.0 12 -0.6 0 0.0 0 0.0 9 30
11 A 12 CYS C + 0 0 -108.2 114.1 178.2 173.5 25.4 160.4 0 0.0 0 0.0 0 0.0 0 0.0 13 32
12 A 13 PHE F S S S+ 0 0 -89.9 -21.4 179.9 21.9 74.8 41.2 10 -0.6 0 0.0 0 0.0 0 0.0 7 26
13 A 14 ASN N S S S- 0 0 -138.2 155.0 178.9 -141.0 72.7 159.9 0 0.0 0 0.0 0 0.0 0 0.0 6 26
14 A 15 VAL V - 0 0 -122.9 145.4 -176.8 -96.1 34.1 160.1 0 0.0 0 0.0 0 0.0 0 0.0 10 36
15 A 16 ILE I - 0 0 -59.0 145.5 -177.8 -159.3 29.0 102.4 51 -3.7 0 0.0 0 0.0 0 0.0 9 35
16 A 17 ASN N + 0 0 -102.9 -17.8 177.5 66.4 69.2 46.0 0 0.0 0 0.0 0 0.0 0 0.0 5 23
17 A 18 ARG R S S S- 0 0 -98.6 143.3 176.9 -110.2 90.1 140.5 0 0.0 0 0.0 0 0.0 0 0.0 4 22
18 A 19 LYS K - 0 0 -71.1 147.6 179.5 -142.0 31.1 115.1 0 0.0 0 0.0 0 0.0 0 0.0 6 28
19 A 20 ILE I - 0 0 -108.0 140.2 -179.2 -97.1 27.3 153.1 0 0.0 0 0.0 0 0.0 0 0.0 6 37
20 A 21 PRO P g > > T - 0 0 -63.7 126.0 -175.4 -136.6 29.2 116.0 0 0.0 23 -2.3 0 0.0 24 -0.5 6 30
21 A 22 ILE I G G 4 > TS+ 0 0 -55.1 -31.0 -177.3 66.2 100.6 46.6 0 0.0 24 -0.6 0 0.0 0 0.0 6 36
22 A 23 GLN Q G G 4 3 TS+ 0 0 -70.9 -14.6 175.2 55.9 99.7 43.8 0 0.0 0 0.0 0 0.0 0 0.0 5 25
23 A 24 ARG R G e 4 < TS+ 0 0 -77.1 -34.0 -176.5 85.4 90.0 43.2 20 -2.3 45 -1.5 0 0.0 0 0.0 8 29
24 A 25 LEU L E E T - 0 0 -92.7 129.2 -175.1 -146.6 59.6 129.1 0 0.0 35 -2.0 0 0.0 0 0.0 7 23
33 A 34 ILE I T T 3 TS+ 0 0 -62.7 -15.5 179.1 71.2 95.7 47.8 0 0.0 0 0.0 0 0.0 0 0.0 5 19
34 A 35 GLN Q T T 3 TS+ 0 0 -69.2 -25.6 -179.5 91.4 82.7 42.3 0 0.0 0 0.0 0 0.0 0 0.0 4 20
35 A 36 CYS C S t < TS- 0 0 -72.0 153.0 -173.9 -130.3 81.2 110.0 32 -2.0 0 0.0 0 0.0 0 0.0 12 25
36 A 37 PRO P S S S+ 0 0 -81.4 -19.5 -179.3 23.1 78.3 46.6 0 0.0 0 0.0 0 0.0 0 0.0 8 21
37 A 38 LYS K S S S- 0 0 -153.5 153.7 179.2 -108.6 73.8 170.4 0 0.0 0 0.0 0 0.0 0 0.0 8 27
38 A 39 GLU E + 0 0 -74.1 135.4 -176.4 141.1 58.9 124.0 0 0.0 0 0.0 0 0.0 0 0.0 11 32
39 A 40 ALA A e - 0 0 -165.8 166.1 171.2 -122.2 44.8 169.9 0 0.0 30 -2.9 0 0.0 0 0.0 12 40
40 A 41 VAL V E E AAB - 29 52 -117.6 150.8 173.7 -142.9 15.6 152.4 52 -2.6 52 -3.0 0 0.0 42 -0.6 13 48
41 A 42 ILE I E E AAB - 28 51 -110.9 110.1 173.8 -157.6 17.8 160.3 28 -2.8 28 -1.5 0 0.0 0 0.0 13 47
42 A 43 PHE F E E AAB - 27 50 -82.2 140.9 171.5 -146.4 6.1 131.9 50 -2.7 50 -2.2 40 -0.6 44 -0.6 13 48
43 A 44 LYS K E E AAB - 26 49 -102.9 119.3 177.9 -146.1 19.5 155.9 26 -2.7 25 -2.9 0 0.0 26 -0.8 12 34
44 A 45 THR T E E AA > T - 24 0 -77.8 175.8 -178.6 -103.2 28.0 103.9 48 -2.3 47 -0.8 42 -0.6 0 0.0 12 28
45 A 46 GLN Q T e 3 TS+ 0 0 -56.2 -45.1 178.3 51.0 126.5 26.6 23 -1.5 0 0.0 0 0.0 0 0.0 8 20
46 A 47 ARG R T T 3 TS- 0 0 -70.0 -18.9 173.5 -108.4 123.1 61.3 0 0.0 0 0.0 0 0.0 0 0.0 4 17
47 A 48 GLY G t < T + 0 0 98.9 4.0 175.8 146.8 67.9 61.7 44 -0.8 0 0.0 0 0.0 0 0.0 6 19
48 A 49 LYS K e - 0 0 -65.2 153.2 177.1 -133.9 42.7 108.7 0 0.0 44 -2.3 0 0.0 0 0.0 7 24
49 A 50 GLU E E E AB - 43 0 -117.6 132.3 -173.4 -173.2 22.8 163.9 0 0.0 0 0.0 0 0.0 0 0.0 8 32
50 A 51 VAL V E E AB - 42 0 -130.4 123.3 172.9 -141.5 17.7 168.5 42 -2.2 42 -2.7 0 0.0 0 0.0 11 42
51 A 52 CYS C E E AB + 41 0 -78.2 131.5 178.2 176.7 30.0 130.7 0 0.0 15 -3.7 0 0.0 0 0.0 12 44
52 A 53 ALA A E E AB - 40 0 -140.5 158.3 -176.4 -112.8 34.7 164.3 40 -3.0 40 -2.6 0 0.0 0 0.0 13 47
53 A 54 ASP D t > T - 0 0 -91.7 110.5 -172.7 -154.1 18.3 141.9 0 0.0 56 -2.6 0 0.0 0 0.0 11 38
54 A 55 PRO P T T 3 TS+ 0 0 -66.7 -9.8 172.4 70.0 91.6 51.7 0 0.0 0 0.0 0 0.0 0 0.0 10 38
55 A 56 LYS K T T 3 TS+ 0 0 -75.8 -17.9 178.9 96.5 79.9 47.2 0 0.0 0 0.0 0 0.0 0 0.0 6 26
56 A 57 GLU E S h > < TS- 0 0 -77.7 145.2 -177.1 -128.5 80.6 123.0 53 -2.6 60 -2.3 0 0.0 0 0.0 7 29
57 A 58 ARG R H H > TS+ 0 0 -53.9 -59.0 -177.9 48.4 105.5 20.7 0 0.0 61 -2.5 0 0.0 0 0.0 7 23
58 A 59 TRP W H H > TS+ 0 0 -53.4 -34.7 -174.4 54.4 111.0 30.6 0 0.0 62 -2.6 0 0.0 0 0.0 7 33
59 A 60 VAL V H H > TS+ 0 0 -70.3 -46.5 -178.7 44.5 108.7 18.7 0 0.0 63 -2.6 0 0.0 0 0.0 11 40
60 A 61 ARG R H H X TS+ 0 0 -64.1 -37.0 178.7 51.9 114.3 27.4 56 -2.3 64 -2.3 0 0.0 0 0.0 10 33
61 A 62 ASP D H H X TS+ 0 0 -64.9 -41.4 179.3 47.1 110.4 27.7 57 -2.5 65 -2.4 0 0.0 0 0.0 8 29
62 A 63 SER S H H X TS+ 0 0 -69.1 -35.8 -178.2 51.0 112.1 20.9 58 -2.6 66 -2.5 0 0.0 0 0.0 10 41
63 A 64 MET M H H X TS+ 0 0 -64.6 -40.2 179.7 48.3 110.9 25.3 59 -2.6 67 -2.3 0 0.0 0 0.0 9 40
64 A 65 LYS K H H X TS+ 0 0 -60.3 -55.6 176.2 52.0 109.9 16.5 60 -2.3 68 -2.9 0 0.0 0 0.0 8 30
65 A 66 HIS H H H X TS+ 0 0 -48.4 -50.9 -177.7 42.8 114.1 22.8 61 -2.4 69 -1.6 0 0.0 0 0.0 8 29
66 A 67 LEU L H H X TS+ 0 0 -71.3 -32.2 -178.3 54.6 111.8 27.1 62 -2.5 70 -2.0 0 0.0 0 0.0 10 33
67 A 68 ASP D H H X TS+ 0 0 -61.0 -53.1 179.4 50.9 106.6 10.9 63 -2.3 71 -1.8 0 0.0 0 0.0 8 27
68 A 69 GLN Q H H X > TS+ 0 0 -44.3 -66.0 178.6 47.1 110.6 21.5 64 -2.9 72 -2.0 0 0.0 71 -1.1 8 20
69 A 70 ILE I H H X 3 TS+ 0 0 -46.9 -46.1 -179.9 55.9 109.2 29.2 65 -1.6 73 -1.7 0 0.0 0 0.0 8 20
70 A 71 PHE F H H < 3 TS+ 0 0 -57.9 -36.8 -175.8 42.9 111.1 31.0 66 -2.0 0 0.0 0 0.0 0 0.0 8 18
71 A 72 GLN Q H H < < TS+ 0 0 -85.4 -19.2 176.2 43.8 119.7 40.0 67 -1.8 0 0.0 68 -1.1 0 0.0 7 13
72 A 73 ASN N H H < TS+ 0 0 -93.4 -10.4 -176.2 79.5 98.0 57.4 68 -2.0 74 -0.8 0 0.0 0 0.0 7 11
73 A 74 LEU L h < T + 0 0 -101.2 62.4 174.7 125.2 51.6 115.7 69 -1.7 0 0.0 0 0.0 0 0.0 6 13
74 A 75 A LYS K 0 0 -142.5 69.9 18.7 999.9 999.9 123.9 72 -0.8 0 0.0 0 0.0 0 0.0 5 9
75 A 76 PRO P 0 0 -9.7 999.9 999.9 999.9 999.9 144.6 0 0.0 0 0.0 0 0.0 0 0.0 3 7
1esrA.pdb
1ESR CYTOKINE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand TTTTS SS S GGGEEEEEE TTSSS EEEEETT EEEE TTSHHHHHHHHHHHHHHHH Kabs/Sand
chirality ++++---+-++---+----++++-----++-++-+-+------+-+---+--++-+++++++++++++++++ chirality
bends SSSS SS S SSS SSSSS SS SSSSSSSSSSSSSSSSSSS bends
turns TTTTTT TTTTT TTTT TTTT TTTTTTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >3><3< >>3<< >33< >33< >33< >33< 3-turns
bridge-2 BBBB bridge-2
bridge-1 A*AAAA AAAAA BBBB bridge-1
sheets AAAAAA AAAAA AAAA sheets
4-turns >444< >>>>XXXXXXXXXX<<<< 4-turns
summary tTTTTt SS S gGGeEEEEEEe tTTtSS eEEEEEeTteEEEEtTThHHHHHHHHHHHHHHHHh summary
sequence PDSVSIPITCCFNVINRKIPIQRLESYTRITNIQCPKEAVIFKTQRGKEVCADPKERWVRDSMKHLDQIFQNLKP sequence
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