Secondary structure calculation program - copyright by David Keith Smith, 1989
1ci5A.pdb
1CI5 IMMUNE SYSTEM MOL_ID: 1; MOL_ID: 1;
Sequence length - 95
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 1 SER S 0 0 999.9 178.0 -180.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 22
2 A 2 SER S - 0 0 -105.0 174.9 -179.8 -148.9 999.9 120.8 0 0.0 0 0.0 0 0.0 0 0.0 7 26
3 A 3 GLN Q E E Aa - 88 0 -147.8 144.3 180.0 -142.2 4.4 176.7 87 -1.2 89 -2.8 0 0.0 0 0.0 7 27
4 A 4 GLN Q E E Aa - 89 0 -110.1 142.5 -179.9 -157.3 14.2 149.5 0 0.0 0 0.0 0 0.0 0 0.0 8 31
5 A 5 ILE I E E Aa - 90 0 -117.5 154.9 180.0 -132.2 12.6 147.1 89 -3.7 91 -1.4 0 0.0 7 -0.6 11 38
6 A 6 TYR Y E E Aa + 91 0 -110.4 116.2 180.0 166.2 34.0 156.9 0 0.0 0 0.0 0 0.0 0 0.0 9 36
7 A 7 GLY G E E Aa - 92 0 -121.9 174.9 179.8 -149.3 20.6 134.6 91 -3.3 93 -1.2 5 -0.6 0 0.0 12 37
8 A 8 VAL V E E Aa > T - 93 0 -148.1 140.3 -179.8 -89.0 35.1 174.8 0 0.0 11 -1.8 0 0.0 67 -0.6 13 29
9 A 9 LYS K B e a 3 TS+ 67 0 -47.0 135.9 -179.6 11.7 116.1 97.5 93 -2.7 0 0.0 0 0.0 0 0.0 12 27
10 A 10 TYR Y T T 3 TS+ 0 0 64.0 22.3 179.9 109.1 115.2 42.3 67 -1.8 0 0.0 0 0.0 0 0.0 8 28
11 A 11 GLY G e < T - 0 0 -118.6 -175.4 -179.9 -111.6 65.7 123.5 8 -1.8 66 -0.8 0 0.0 67 -0.5 9 30
12 A 12 ASN N E E BB + 65 0 -119.7 159.4 179.7 175.1 27.2 145.5 0 0.0 0 0.0 0 0.0 0 0.0 11 35
13 A 13 VAL V E E BB - 64 0 -159.7 152.2 -179.4 -145.6 15.4 169.7 64 -1.7 64 -1.3 0 0.0 0 0.0 10 42
14 A 14 THR T E E BB - 63 0 -128.1 141.6 178.9 -147.7 7.2 166.6 0 0.0 16 -0.8 0 0.0 0 0.0 9 48
15 A 15 PHE F E E BB - 62 0 -108.5 93.6 -178.6 -152.4 23.5 147.1 62 -3.7 62 -1.4 0 0.0 0 0.0 9 55
16 A 16 HIS H - 0 0 -67.9 141.0 179.8 -155.0 4.7 112.7 14 -0.8 0 0.0 0 0.0 0 0.0 8 45
17 A 17 VAL V - 0 0 -122.3 122.9 -179.9 -136.3 16.5 167.2 0 0.0 19 -2.8 0 0.0 0 0.0 7 47
18 A 18 PRO P + 0 0 -74.0 61.6 180.0 154.8 46.3 108.7 0 0.0 20 -1.0 0 0.0 0 0.0 5 34
19 A 19 SER S - 0 0 -95.8 97.4 180.0 -166.7 30.6 141.2 17 -2.8 0 0.0 0 0.0 0 0.0 10 33
20 A 20 ASN N S S S+ 0 0 -51.0 -28.9 179.8 52.6 79.9 37.9 18 -1.0 0 0.0 0 0.0 0 0.0 5 21
21 A 21 GLN Q S S S- 0 0 -113.4 142.1 180.0 -90.2 108.4 153.1 0 0.0 0 0.0 0 0.0 0 0.0 6 22
22 A 22 PRO P - 0 0 -50.8 112.7 -179.8 -123.6 45.1 105.0 0 0.0 24 -0.7 0 0.0 0 0.0 9 30
23 A 23 LEU L + 0 0 -64.9 108.1 179.8 174.4 35.6 118.4 58 -2.2 0 0.0 0 0.0 0 0.0 12 39
24 A 24 LYS K S S S+ 0 0 -84.7 -31.0 179.8 32.1 74.9 37.8 22 -0.7 41 -0.5 0 0.0 0 0.0 11 34
25 A 25 GLU E S S S+ 0 0 -132.9 103.7 -179.8 165.2 74.8 153.8 0 0.0 0 0.0 0 0.0 0 0.0 12 38
26 A 26 VAL V E E AC - 38 0 -119.1 150.5 -179.9 -166.0 16.5 151.8 38 -0.5 38 -4.1 0 0.0 0 0.0 13 53
27 A 27 LEU L E E ACD - 37 78 -140.8 110.1 179.8 -165.5 4.3 154.7 78 -2.3 78 -2.2 0 0.0 0 0.0 11 56
28 A 28 TRP W E E ACD - 36 77 -96.2 139.5 -179.6 -174.0 10.9 138.9 36 -1.9 35 -1.9 0 0.0 36 -1.3 13 59
29 A 29 LYS K E E ACD - 34 76 -132.7 156.3 179.6 -155.8 18.3 158.9 76 -2.3 76 -2.8 0 0.0 0 0.0 12 49
30 A 30 LYS K E E ACD> T - 33 75 -134.8 99.5 -178.8 -57.4 63.5 151.4 33 -1.4 33 -1.2 0 0.0 0 0.0 11 45
31 A 31 GLN Q T e 3 TS- 0 0 67.3 -133.0 179.6 -17.5 118.8 117.5 74 -1.1 0 0.0 0 0.0 0 0.0 9 28
32 A 32 LYS K T T 3 TS+ 0 0 -92.9 24.8 180.0 74.8 129.1 85.9 0 0.0 0 0.0 0 0.0 0 0.0 5 21
33 A 33 ASP D E E AC < TS- 30 0 -127.2 177.7 180.0 -108.3 80.6 136.1 30 -1.2 30 -1.4 0 0.0 0 0.0 6 26
34 A 34 LYS K E E AC + 29 0 -113.9 138.9 -179.8 174.3 25.7 155.0 0 0.0 0 0.0 0 0.0 0 0.0 11 35
35 A 35 VAL V E E A* - 0 0 -103.0 -64.1 -179.3 -19.3 62.2 32.8 28 -1.9 46 -2.2 0 0.0 0 0.0 12 51
36 A 36 ALA A E E ACE - 28 45 -146.0 165.3 -180.0 -162.4 48.3 161.2 28 -1.3 28 -1.9 0 0.0 0 0.0 15 49
37 A 37 GLU E E E ACE - 27 44 -156.8 124.3 179.5 -160.0 4.5 154.8 44 -1.9 44 -1.4 0 0.0 0 0.0 11 47
38 A 38 LEU L E E ACE + 26 43 -107.9 133.0 -179.7 139.9 28.9 152.9 26 -4.1 26 -0.5 0 0.0 0 0.0 14 41
39 A 39 GLU E E E A E> T + 0 42 -168.5 148.4 179.9 17.7 57.2 161.9 42 -2.4 42 -1.8 0 0.0 0 0.0 9 31
40 A 40 ASN N T T 3 TS- 0 0 53.3 41.5 -179.8 -62.0 127.6 28.0 0 0.0 0 0.0 0 0.0 0 0.0 6 20
41 A 41 SER S T T 3 TS+ 0 0 57.0 24.7 -179.9 116.4 117.6 40.4 24 -0.5 0 0.0 0 0.0 0 0.0 8 22
42 A 42 GLU E E E AE < T - 39 0 -130.0 123.6 179.9 -158.2 51.3 169.3 39 -1.8 39 -2.4 0 0.0 0 0.0 6 23
43 A 43 PHE F E E AE + 38 0 -100.8 141.1 -179.8 163.1 19.3 142.3 0 0.0 0 0.0 0 0.0 0 0.0 10 39
44 A 44 ARG R E E AE - 37 0 -159.1 137.4 179.8 -147.9 21.3 162.9 37 -1.4 37 -1.9 0 0.0 0 0.0 8 34
45 A 45 ALA A E E AE - 36 0 -98.4 177.1 -179.4 -116.1 21.1 113.5 0 0.0 0 0.0 0 0.0 0 0.0 12 37
46 A 46 PHE F S e > TS- 0 0 -114.2 165.0 179.8 -11.8 71.7 136.5 35 -2.2 49 -2.8 0 0.0 48 -0.7 9 31
47 A 47 SER S T T 3 TS- 0 0 51.5 -97.2 179.9 -35.9 129.1 106.6 0 0.0 0 0.0 0 0.0 0 0.0 7 22
48 A 48 SER S T g > TS+ 0 0 -140.7 15.5 179.9 102.6 112.0 80.7 46 -0.7 51 -0.8 0 0.0 0 0.0 7 27
49 A 49 PHE F G G X T + 0 0 -70.4 -31.7 -179.9 75.1 67.5 34.8 46 -2.8 52 -3.5 0 0.0 0 0.0 10 36
50 A 50 LYS K G G > TS+ 0 0 -50.7 -29.3 -179.8 53.8 93.7 38.5 0 0.0 53 -0.6 0 0.0 0 0.0 11 31
51 A 51 ASN N G G < TS+ 0 0 -90.0 9.8 179.9 32.6 119.7 73.0 48 -0.8 0 0.0 0 0.0 0 0.0 5 26
52 A 52 ARG R G e < TS+ 0 0 -152.4 28.8 -180.0 82.8 105.3 87.4 49 -3.5 65 -3.3 0 0.0 0 0.0 9 36
53 A 53 VAL V E E BF < T - 64 0 -137.4 156.7 179.8 -167.3 46.3 162.3 50 -0.6 0 0.0 0 0.0 0 0.0 12 45
54 A 54 TYR Y E E BF - 63 0 -144.8 74.5 -179.6 -171.6 14.5 124.5 63 -1.8 63 -0.7 0 0.0 0 0.0 9 39
55 A 55 LEU L E E BF - 62 0 -72.5 127.7 179.6 -127.1 22.8 122.4 0 0.0 0 0.0 0 0.0 0 0.0 11 48
56 A 56 ASP D e - 0 0 -68.9 164.3 -180.0 -140.6 3.3 101.4 61 -3.6 0 0.0 0 0.0 0 0.0 9 43
57 A 57 THR T S S S+ 0 0 -120.0 38.1 -180.0 45.4 88.2 99.7 0 0.0 0 0.0 0 0.0 0 0.0 12 37
58 A 58 LYS K S S S+ 0 0 -137.0 -74.7 -179.8 16.0 122.3 65.2 0 0.0 23 -2.2 0 0.0 0 0.0 8 34
59 A 59 SER S S S S- 0 0 -89.4 -0.7 -179.7 -114.2 99.8 65.0 0 0.0 0 0.0 0 0.0 0 0.0 13 38
60 A 60 GLY G + 0 0 81.0 0.8 180.0 161.8 59.9 61.8 0 0.0 0 0.0 0 0.0 0 0.0 16 52
61 A 61 SER S e - 0 0 -55.7 139.8 180.0 -141.7 29.9 103.7 0 0.0 56 -3.6 0 0.0 0 0.0 12 54
62 A 62 LEU L E E BBF - 15 55 -111.0 132.9 180.0 -164.1 11.6 155.5 15 -1.4 15 -3.7 0 0.0 64 -0.6 12 62
63 A 63 THR T E E BBF - 14 54 -119.6 105.8 180.0 -158.5 9.7 155.6 54 -0.7 54 -1.8 0 0.0 0 0.0 12 52
64 A 64 ILE I E E BBF - 13 53 -80.1 155.1 179.9 -153.9 5.2 115.7 13 -1.3 13 -1.7 62 -0.6 0 0.0 12 56
65 A 65 TYR Y E E BB + 12 0 -131.3 146.8 -179.6 13.6 63.0 164.8 52 -3.3 0 0.0 0 0.0 0 0.0 11 38
66 A 66 ASN N S e S- 0 0 53.5 83.0 -179.3 -154.0 78.7 13.1 11 -0.8 0 0.0 0 0.0 0 0.0 9 33
67 A 67 LEU L B B a - 9 0 -86.1 161.7 179.4 -174.9 14.7 116.2 8 -0.6 10 -1.8 11 -0.5 0 0.0 14 40
68 A 68 THR T - 0 0 -136.5 -166.9 179.2 -83.4 46.4 130.1 0 0.0 0 0.0 0 0.0 0 0.0 10 30
69 A 69 SER S S S S+ 0 0 -78.8 -20.4 179.3 54.6 127.5 44.0 0 0.0 0 0.0 0 0.0 0 0.0 8 26
70 A 70 SER S S S S+ 0 0 -83.4 -21.8 179.7 70.4 92.8 45.0 0 0.0 0 0.0 0 0.0 0 0.0 6 33
71 A 71 ASP D S S S+ 0 0 -67.0 -20.3 179.8 95.9 72.9 43.5 0 0.0 73 -2.6 0 0.0 0 0.0 9 48
72 A 72 GLU E + 0 0 -72.6 74.6 -180.0 110.2 64.7 115.6 0 0.0 0 0.0 0 0.0 0 0.0 10 40
73 A 73 ASP D S e S- 0 0 -144.6 165.0 -180.0 -90.2 77.8 160.0 71 -2.6 90 -1.8 0 0.0 75 -0.8 10 38
74 A 74 GLU E E E A G - 0 89 -82.6 110.3 179.9 -159.1 43.9 134.0 0 0.0 31 -1.1 0 0.0 0 0.0 10 39
75 A 75 TYR Y E E ADG - 30 88 -89.6 150.7 -179.9 -157.6 2.8 126.6 88 -1.9 88 -0.6 73 -0.8 0 0.0 12 52
76 A 76 GLU E E E ADG - 29 87 -133.3 126.6 179.9 -160.4 3.0 171.7 29 -2.8 29 -2.3 0 0.0 0 0.0 12 48
77 A 77 MET M E E ADG - 28 86 -105.0 154.0 179.7 -163.2 3.3 137.5 86 -1.8 86 -1.5 0 0.0 0 0.0 12 55
78 A 78 GLU E E E ADG + 27 85 -138.4 138.5 -179.7 167.6 12.0 177.5 27 -2.2 27 -2.3 0 0.0 0 0.0 11 46
79 A 79 SER S e - 0 0 -152.1 139.5 179.6 -133.6 37.7 170.4 84 -0.6 0 0.0 0 0.0 0 0.0 12 44
80 A 80 PRO P S S S+ 0 0 -56.8 -43.9 179.6 44.8 114.0 25.0 0 0.0 0 0.0 0 0.0 0 0.0 8 29
81 A 81 ASN N S S S+ 0 0 -69.7 -32.4 179.6 93.5 98.8 33.9 0 0.0 0 0.0 0 0.0 0 0.0 7 27
82 A 82 ILE I S S S- 0 0 -59.4 155.2 -179.7 -114.7 90.4 99.3 0 0.0 0 0.0 0 0.0 0 0.0 8 31
83 A 83 THR T S S S- 0 0 -58.9 -42.6 -179.6 -57.2 80.6 26.5 0 0.0 0 0.0 0 0.0 0 0.0 6 25
84 A 84 ASP D S e S- 0 0 -162.8 -74.3 -179.9 -37.1 95.3 87.5 0 0.0 79 -0.6 0 0.0 0 0.0 7 25
85 A 85 SER S E E A G - 0 78 -172.3 139.7 -179.8 -145.1 44.9 152.7 0 0.0 0 0.0 0 0.0 0 0.0 9 35
86 A 86 MET M E E A G - 0 77 -110.3 160.9 -179.7 -145.7 6.8 136.2 77 -1.5 77 -1.8 0 0.0 0 0.0 9 38
87 A 87 LYS K E E A G - 0 76 -130.3 92.8 179.4 -172.3 12.7 144.4 0 0.0 3 -1.2 0 0.0 89 -0.8 10 41
88 A 88 PHE F E E AaG - 3 75 -88.3 110.6 -179.5 -143.5 18.6 138.9 75 -0.6 75 -1.9 0 0.0 0 0.0 13 44
89 A 89 PHE F E E AaG - 4 74 -76.0 136.2 179.9 -153.8 11.3 122.4 3 -2.8 5 -3.7 87 -0.8 0 0.0 12 40
90 A 90 LEU L E E Aa - 5 0 -115.2 132.0 179.7 -165.2 6.4 159.7 73 -1.8 0 0.0 0 0.0 0 0.0 13 46
91 A 91 TYR Y E E Aa - 6 0 -119.4 122.4 -180.0 -150.5 8.6 164.4 5 -1.4 7 -3.3 0 0.0 93 -0.5 12 38
92 A 92 VAL V E E Aa + 7 0 -94.6 127.5 -180.0 174.0 22.6 142.2 0 0.0 0 0.0 0 0.0 0 0.0 13 33
93 A 93 GLY G E E Aa - 8 0 -124.2 175.6 179.8 -125.2 39.8 135.6 7 -1.2 9 -2.7 91 -0.5 0 0.0 9 25
94 A 94 GLU E 0 0 -88.5 -38.0 179.9 999.9 999.9 33.7 0 0.0 0 0.0 0 0.0 0 0.0 5 20
95 A 95 SER S 0 0 -179.8 999.9 999.9 999.9 999.9 138.7 0 0.0 0 0.0 0 0.0 0 0.0 4 18
1ci5A.pdb
1CI5 IMMUNE SYSTEM MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEEEBT EEEE SS SSEEEEETTEEEEEEETTEEEESTTGGGGEEE SSS EEEESB SSS SEEEEE SSSSSEEEEEEEEE Kabs/Sand
chirality ----+--++-+-----+-+--+++------+-+---++-+-+----+++++----++-+----+---++++-----+-++----------+- chirality
bends SS SS SS SSS SS SSS SSS SSS S SSS S SSSSS bends
turns TTTT TTTT TTTT TTTTTTTT turns
5-turns 5-turns
3-turns >33< >33< >33< >3>X><<< 3-turns
bridge-2 DDDD EEEE FFF GGGGG GGGGG bridge-2
bridge-1 aaaaaaa BBBB CCCCC CC*CCC EEEE FFF BBBB a DDDD aaaaaa bridge-1
sheets AAAAAA BBBB AAAAA AAAAAAA AAAA BBB BBBB AAAAA AAAAAAAAA sheets
4-turns 4-turns
summary EEEEEEeTeEEEE SS SSEEEEEeTEEEEEEETTEEEEeTgGGGeEEEeSSS eEEEEeB SSS eEEEEEeSSSSeEEEEEEEEE summary
sequence SSQQIYGVKYGNVTFHVPSNQPLKEVLWKKQKDKVAELENSEFRAFSSFKNRVYLDTKSGSLTIYNLTSSDEDEYEMESPNITDSMKFFLYVGES sequence
10 20 30 40 50 60 70 80 90