Secondary structure calculation program - copyright by David Keith Smith, 1989
2cd0A.pdb
2CD0 IMMUNE SYSTEM MOL_ID: 1; MOL_ID: 1;
Sequence length - 111
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 ASN N 0 0 999.9 108.2 178.8 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 24
2 A 2 PHE F - 0 0 -173.0 171.8 -177.9 -120.1 999.9 163.6 0 0.0 0 0.0 0 0.0 0 0.0 8 32
3 A 3 LEU L e - 0 0 -128.7 149.3 177.5 -143.4 9.8 158.3 0 0.0 25 -2.4 0 0.0 5 -0.6 11 34
4 A 4 LEU L E E AAa - 24 102 -116.1 117.8 -178.6 -160.5 19.5 163.8 101 -0.5 103 -0.9 0 0.0 0 0.0 14 46
5 A 5 THR T E E AA + 23 0 -103.8 127.9 178.8 169.3 14.7 148.8 23 -2.9 23 -2.3 3 -0.6 0 0.0 11 38
6 A 6 GLN Q - 0 0 -129.1 157.1 179.0 -89.9 43.4 153.2 0 0.0 0 0.0 0 0.0 0 0.0 12 43
7 A 7 PRO P - 0 0 -64.4 150.7 -179.1 -124.3 34.9 111.3 0 0.0 0 0.0 0 0.0 0 0.0 9 34
8 A 8 HIS H S e S- 0 0 -63.0 -44.2 -179.6 -18.2 80.0 24.2 0 0.0 106 -2.3 0 0.0 0 0.0 8 28
9 A 9 SER S E E Bb - 106 0 -159.9 166.4 179.0 -158.2 49.2 170.9 0 0.0 0 0.0 0 0.0 0 0.0 8 35
10 A 11 VAL V E E Bb - 107 0 -149.9 138.6 179.7 -168.2 6.3 169.0 106 -2.8 108 -2.9 0 0.0 0 0.0 9 38
11 A 12 SER S E E Bb + 108 0 -134.9 118.0 -178.7 156.4 20.3 165.5 0 0.0 0 0.0 0 0.0 0 0.0 8 34
12 A 13 GLU E E E Bb - 109 0 -140.2 160.5 -179.5 -101.0 40.5 161.1 108 -1.8 110 -2.1 0 0.0 0 0.0 10 32
13 A 14 SER S t > T - 0 0 -80.4 151.7 179.7 -88.8 50.8 117.3 0 0.0 16 -1.6 0 0.0 0 0.0 9 25
14 A 15 PRO P T T 3 TS+ 0 0 -55.9 151.9 179.7 36.5 112.4 100.3 0 0.0 0 0.0 0 0.0 0 0.0 11 26
15 A 16 GLY G T T 3 TS+ 0 0 89.9 -19.1 -180.0 109.3 95.5 80.6 81 -2.7 0 0.0 0 0.0 0 0.0 8 26
16 A 17 LYS K t < T - 0 0 -89.3 166.1 -179.6 -117.0 66.9 114.7 13 -1.6 81 -2.8 0 0.0 0 0.0 9 27
17 A 18 THR T - 0 0 -106.7 137.8 179.9 -168.9 25.9 148.7 0 0.0 0 0.0 0 0.0 0 0.0 9 33
18 A 19 VAL V E E A C - 0 78 -126.7 146.0 180.0 -155.3 11.3 161.1 78 -2.4 78 -2.5 0 0.0 20 -0.5 9 43
19 A 20 THR T E E A C - 0 77 -124.0 99.4 179.5 -166.5 6.5 151.1 0 0.0 21 -0.6 0 0.0 0 0.0 8 49
20 A 21 ILE I E E A C - 0 76 -86.2 119.0 -179.2 -151.0 18.1 138.5 76 -2.6 76 -2.8 18 -0.5 0 0.0 10 58
21 A 22 SER S E E A C - 0 75 -91.2 158.6 -179.4 -165.4 15.6 121.1 19 -0.6 0 0.0 0 0.0 0 0.0 11 53
22 A 23 CYS C E E A C - 0 74 -143.5 86.7 -179.2 -170.7 13.7 138.0 74 -2.0 74 -1.9 0 0.0 0 0.0 12 58
23 A 24 THR T E E AAC - 5 73 -91.5 132.2 -179.8 -141.7 13.7 135.9 5 -2.3 5 -2.9 0 0.0 25 -0.5 12 49
24 A 25 ARG R E E AA - 4 0 -92.7 123.5 -179.3 -148.9 3.2 140.8 72 -1.8 0 0.0 0 0.0 0 0.0 13 45
25 A 26 SER S S e S- 0 0 -52.6 -64.3 -179.1 -2.6 74.1 17.8 3 -2.4 0 0.0 23 -0.5 0 0.0 8 33
26 A 27 SER S S S S+ 0 0 -130.4 167.3 -179.3 46.0 101.6 148.6 0 0.0 0 0.0 0 0.0 0 0.0 7 27
27 A 27A GLY G S S S- 0 0 77.7 147.2 -179.8 -63.3 94.4 71.5 0 0.0 0 0.0 0 0.0 0 0.0 6 33
28 A 27B SER S t > T - 0 0 -67.8 124.1 -179.0 -147.5 37.2 119.3 0 0.0 31 -1.1 0 0.0 0 0.0 9 30
29 A 28 ILE I T T 3 TS+ 0 0 -69.9 -3.6 -179.6 61.0 95.3 56.4 0 0.0 0 0.0 0 0.0 0 0.0 12 44
30 A 29 ALA A T T 3 TS+ 0 0 -94.2 -23.5 -179.5 75.9 81.9 45.6 0 0.0 0 0.0 0 0.0 0 0.0 8 36
31 A 30 ASN N S t < TS+ 0 0 -67.5 -3.2 178.9 38.5 104.4 60.2 28 -1.1 0 0.0 0 0.0 0 0.0 5 31
32 A 31 ASN N S S S- 0 0 -148.2 151.6 179.5 -103.6 89.4 173.8 0 0.0 0 0.0 0 0.0 0 0.0 9 40
33 A 32 TYR Y - 0 0 -70.7 151.6 177.1 -145.8 27.6 110.3 0 0.0 0 0.0 0 0.0 0 0.0 11 46
34 A 33 VAL V - 0 0 -121.6 129.5 178.5 -171.5 15.9 172.9 0 0.0 52 -3.1 0 0.0 0 0.0 12 57
35 A 34 HIS H E E BD - 92 0 -116.2 156.3 178.7 -154.0 7.0 146.4 92 -2.2 92 -2.4 0 0.0 0 0.0 13 53
36 A 35 TRP W E E BDE - 91 49 -131.8 132.2 177.0 -170.3 10.4 176.2 49 -2.6 48 -3.0 0 0.0 49 -1.7 14 62
37 A 36 TYR Y E E BDE - 90 47 -128.7 154.8 -178.8 -141.1 13.5 158.4 90 -2.4 90 -2.2 0 0.0 0 0.0 12 57
38 A 37 GLN Q E E BDE - 89 46 -109.8 135.5 179.2 -172.0 12.3 155.1 46 -3.2 46 -1.9 0 0.0 0 0.0 12 52
39 A 38 GLN Q E E BD - 88 0 -132.4 106.3 179.1 -144.6 15.5 157.7 88 -2.6 88 -2.4 0 0.0 0 0.0 12 35
40 A 39 ARG R t > T - 0 0 -58.2 170.3 -179.7 -83.4 41.6 93.0 0 0.0 43 -1.1 0 0.0 0 0.0 10 28
41 A 40 PRO P T T 3 TS+ 0 0 -41.2 -76.7 178.7 8.5 122.7 23.7 0 0.0 43 -0.7 0 0.0 0 0.0 6 24
42 A 41 GLY G T T 3 TS+ 0 0 -109.7 74.0 -177.8 100.3 116.0 131.6 0 0.0 0 0.0 0 0.0 0 0.0 5 15
43 A 42 SER S S t < TS- 0 0 -150.9 169.5 -179.8 -95.6 72.1 161.0 40 -1.1 0 0.0 41 -0.7 0 0.0 6 18
44 A 43 SER S - 0 0 -90.4 149.8 -179.5 -94.8 50.4 129.8 0 0.0 0 0.0 0 0.0 0 0.0 6 17
45 A 44 PRO P - 0 0 -62.9 150.3 176.9 -172.4 37.5 100.2 0 0.0 0 0.0 0 0.0 0 0.0 8 30
46 A 45 THR T E E BE - 38 0 -142.3 143.5 -179.4 -110.4 27.9 171.3 38 -1.9 38 -3.2 0 0.0 0 0.0 7 33
47 A 46 THR T E E BE + 37 0 -76.9 135.3 175.7 172.0 31.8 124.4 0 0.0 0 0.0 0 0.0 0 0.0 10 40
48 A 47 VAL V E E B* S+ 0 0 -111.1 -24.2 177.9 27.7 75.0 52.6 36 -3.0 0 0.0 0 0.0 0 0.0 12 47
49 A 48 ILE I E E BE - 36 0 -142.3 128.4 -178.7 -168.5 67.4 168.6 36 -1.7 36 -2.6 0 0.0 0 0.0 15 43
50 A 49 PHE F B B > B T + 54 0 -117.4 140.8 177.0 3.5 67.7 154.7 54 -3.1 54 -2.5 0 0.0 0 0.0 13 40
51 A 50 GLU E T T 4 TS- 0 0 50.1 63.0 179.2 -57.4 124.9 21.7 0 0.0 53 -2.1 0 0.0 0 0.0 8 34
52 A 51 ASP D T T 4 TS+ 0 0 71.9 -53.1 -175.5 7.6 132.3 108.4 34 -3.1 0 0.0 0 0.0 0 0.0 12 42
53 A 52 ASP D T T 4 TS+ 0 0 -147.4 18.1 179.1 120.0 89.1 76.8 51 -2.1 0 0.0 0 0.0 0 0.0 10 42
54 A 53 HIS H B B < B T - 50 0 -91.4 136.8 -179.7 -147.7 48.3 137.2 50 -2.5 50 -3.1 0 0.0 0 0.0 9 33
55 A 54 ARG R - 0 0 -106.3 112.4 -180.0 -129.6 18.6 153.6 0 0.0 0 0.0 0 0.0 0 0.0 11 32
56 A 55 PRO P t > T - 0 0 -59.1 147.2 -180.0 -81.6 41.5 106.3 0 0.0 59 -2.2 0 0.0 0 0.0 9 26
57 A 56 SER S T T 3 TS+ 0 0 -49.4 134.8 -179.5 28.6 117.8 99.8 0 0.0 0 0.0 0 0.0 0 0.0 4 18
58 A 57 GLY G T T 3 TS+ 0 0 101.2 -30.1 179.9 115.4 88.2 89.8 0 0.0 0 0.0 0 0.0 0 0.0 4 18
59 A 58 VAL V S t < TS- 0 0 -78.8 124.5 -179.8 -112.9 73.2 131.0 56 -2.2 0 0.0 0 0.0 0 0.0 8 32
60 A 59 PRO P t > T - 0 0 -55.5 140.6 -178.4 -121.2 18.2 102.0 0 0.0 63 -2.0 0 0.0 0 0.0 5 31
61 A 60 ASP D T T 3 TS+ 0 0 -67.4 1.7 177.6 85.8 101.8 61.0 0 0.0 0 0.0 0 0.0 0 0.0 6 28
62 A 61 ARG R T e 3 TS+ 0 0 -71.1 -17.4 178.0 77.4 81.1 46.1 0 0.0 79 -2.6 0 0.0 0 0.0 9 36
63 A 62 PHE F E E AF < T + 78 0 -93.7 129.8 178.5 168.3 63.4 144.6 60 -2.0 0 0.0 0 0.0 0 0.0 13 50
64 A 63 SER S E E AF - 77 0 -144.0 144.8 179.4 -151.1 20.9 176.0 77 -2.6 77 -3.0 0 0.0 0 0.0 12 44
65 A 64 GLY G E E AF + 76 0 -115.1 148.1 178.1 175.5 16.9 153.1 0 0.0 0 0.0 0 0.0 0 0.0 13 47
66 A 65 SER S E E AF - 75 0 -145.6 160.6 -179.9 -145.3 20.1 164.3 75 -2.1 75 -2.9 0 0.0 0 0.0 9 44
67 A 66 VAL V E E AF - 74 0 -129.6 125.3 178.9 -158.8 8.2 176.9 0 0.0 69 -0.7 0 0.0 0 0.0 12 40
68 A 66A ASP D E E >AF >T - 73 0 -109.7 106.1 -179.2 -169.0 2.8 153.0 73 -2.9 73 -1.6 0 0.0 72 -0.7 9 32
69 A 66B THR T T T 4 >5TS+ 0 0 -57.2 -50.3 -178.4 54.6 83.5 21.8 67 -0.7 72 -1.2 0 0.0 0 0.0 9 26
70 A 67 SER S T T 4 35TS+ 0 0 -56.8 -35.3 -179.7 36.3 116.8 34.5 0 0.0 0 0.0 0 0.0 0 0.0 5 20
71 A 68 SER S T T 4 35TS- 0 0 -97.7 1.4 -179.1 -131.5 103.3 65.4 0 0.0 0 0.0 0 0.0 0 0.0 6 22
72 A 69 ASN N T e < <5T + 0 0 50.4 40.2 -178.9 114.7 68.6 34.2 69 -1.2 24 -1.8 68 -0.7 0 0.0 12 33
73 A 70 SER S E E ACF T - 0 0 -127.6 155.4 -178.7 -112.0 32.7 153.6 0 0.0 85 -1.9 0 0.0 0 0.0 10 31
83 A 80 THR T G G > TS+ 0 0 -58.2 -35.0 179.3 67.5 115.2 29.1 0 0.0 86 -2.1 0 0.0 0 0.0 9 32
84 A 81 GLU E G G 3 TS+ 0 0 -57.0 -19.3 -178.7 68.8 88.6 47.6 0 0.0 0 0.0 0 0.0 0 0.0 4 35
85 A 82 ASP D G G < T + 0 0 -82.7 -1.3 179.4 121.4 66.5 63.1 82 -1.9 0 0.0 0 0.0 0 0.0 8 52
86 A 83 GLU E g < T + 0 0 -64.4 123.6 -178.9 100.2 45.6 119.2 83 -2.1 0 0.0 0 0.0 0 0.0 11 48
87 A 84 ALA A E E B G S- 0 107 178.9 -179.3 176.0 -73.6 74.4 170.4 107 -1.4 107 -3.0 0 0.0 0 0.0 11 47
88 A 85 ASP D E E BDG - 39 106 -97.2 138.7 179.8 -158.4 44.0 145.5 39 -2.4 39 -2.6 0 0.0 0 0.0 12 46
89 A 86 TYR Y E E BDG - 38 105 -124.0 133.8 -180.0 -172.8 8.6 169.6 105 -1.9 105 -1.8 0 0.0 0 0.0 12 58
90 A 87 TYR Y E E BD - 37 0 -127.9 133.3 175.9 -149.9 12.7 168.8 37 -2.2 37 -2.4 0 0.0 0 0.0 12 60
91 A 88 CYS C E E BD - 36 0 -93.0 156.6 -179.7 -164.0 17.9 131.5 0 0.0 102 -2.8 0 0.0 0 0.0 13 65
92 A 89 GLN Q E E BDH + 35 101 -140.6 142.5 176.6 163.1 14.1 175.8 35 -2.4 35 -2.2 0 0.0 0 0.0 12 57
93 A 90 SER S E E B H - 0 100 -145.9 -174.3 -176.3 -120.3 22.2 148.0 100 -2.6 100 -2.7 0 0.0 0 0.0 11 52
94 A 91 TYR Y E E B H - 0 99 -136.8 172.1 -180.0 -172.2 14.8 145.1 0 0.0 0 0.0 0 0.0 0 0.0 11 37
95 A 92 ASP D E E B H> T - 0 98 -148.3 171.4 -179.4 -70.2 56.5 152.3 98 -1.7 98 -1.5 0 0.0 0 0.0 9 27
96 A 93 HIS H T T 3 TS+ 0 0 -31.9 -70.8 -178.7 6.3 126.9 30.7 0 0.0 0 0.0 0 0.0 0 0.0 4 19
97 A 94 ASN N T T 3 TS+ 0 0 -116.7 44.4 177.1 50.6 121.8 102.6 0 0.0 0 0.0 0 0.0 0 0.0 5 15
98 A 95 ASN N E E BH < T - 95 0 -176.0 154.0 179.7 -123.9 62.3 158.8 95 -1.5 95 -1.7 0 0.0 0 0.0 6 19
99 A 96 GLN Q E E BH - 94 0 -100.9 130.5 -179.2 -158.5 28.3 147.9 0 0.0 0 0.0 0 0.0 0 0.0 8 28
100 A 97 VAL V E E BH - 93 0 -115.2 133.6 178.7 -158.3 2.7 158.8 93 -2.7 93 -2.6 0 0.0 0 0.0 11 37
101 A 98 PHE F E E BH - 92 0 -109.0 150.1 176.3 -122.3 17.5 145.5 0 0.0 4 -0.5 0 0.0 0 0.0 10 45
102 A 99 GLY G B e a - 4 0 -78.0 167.7 -179.0 -103.5 36.6 111.4 91 -2.8 0 0.0 0 0.0 0 0.0 12 46
103 A 100 GLY G - 0 0 -67.8 -21.1 179.8 -111.5 62.1 45.0 4 -0.9 0 0.0 0 0.0 0 0.0 9 40
104 A 101 GLY G - 0 0 102.6 146.5 179.3 -123.6 18.1 86.5 0 0.0 0 0.0 0 0.0 0 0.0 11 46
105 A 102 THR T E E B G - 0 89 -130.5 120.5 178.3 -146.2 12.3 170.3 89 -1.8 89 -1.9 0 0.0 107 -0.8 13 43
106 A 103 LYS K E E BbG - 9 88 -86.8 113.9 179.7 -166.3 18.4 141.4 8 -2.3 10 -2.8 0 0.0 108 -0.6 11 43
107 A 104 LEU L E E BbG - 10 87 -104.1 121.3 178.2 -165.8 1.2 153.9 87 -3.0 87 -1.4 105 -0.8 0 0.0 13 47
108 A 105 THR T E E Bb - 11 0 -108.9 134.6 179.4 -144.9 10.6 156.1 10 -2.9 12 -1.8 106 -0.6 110 -0.6 10 36
109 A 106 VAL V E E Bb - 12 0 -101.1 121.6 -178.4 -154.0 3.3 151.1 0 0.0 111 -1.2 0 0.0 0 0.0 13 32
110 A 107 LEU L e 0 0 -91.8 63.6 179.4 999.9 999.9 120.6 12 -2.1 0 0.0 108 -0.6 0 0.0 8 23
111 A 108 GLY G 0 0 -127.4 999.9 999.9 999.9 999.9 160.8 109 -1.2 0 0.0 0 0.0 0 0.0 6 20
2cd0A.pdb
2CD0 IMMUNE SYSTEM MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EE SEEEE TT EEEEEEESSS TTSS EEEEE TTS EEEEBTTTB TTS TTEEEEEETTTTEEEEEESS GGG EEEEEEEEETTEEE Kabs/Sand
chirality ---+-----+--++----------+--+++---------++----++-+-++---++--+++-+---++-+------+---++++-----+---++--- chirality
bends S SS SSS SSSS SSS S SSS SSS SS SSS SS SS S SS bends
turns TTTT TTTT TTTT TTTTT TTTTTTTT TTTTTT TTTTT TTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33< >33<>33< >33< >>3<< >33< 3-turns
bridge-2 a CCCCCC EEE FFFFFF GGG HHHH bridge-2
bridge-1 AA bbbb AA DDDDD EE*EB B FFFFFF CCCCCC DDDDD HHH bridge-1
sheets AA BBBB AAAAAAA BBBBB BBBB AAAAAA AAAAAA BBBBBBBBB BBB sheets
4-turns >444< >444< 4-turns
summary eEE eEEEEtTTt EEEEEEEeSStTTtS EEEEEtTTt EEEEBTTTB tTTttTeEEEEEETTTeEEEEEEeS gGGGgEEEEEEEEETTEEE summary
sequence NFLLTQPHSVSESPGKTVTISCTRSSGSIANNYVHWYQQRPGSSPTTVIFEDDHRPSGVPDRFSGSVDTSSNSASLTISGLKTEDEADYYCQSYDHNNQV sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EB EEEEE Kabs/Sand
chirality --------- chirality
bends bends
turns turns
5-turns 5-turns
3-turns 3-turns
bridge-2 GGG bridge-2
bridge-1 Ha bbbb bridge-1
sheets B BBBBB sheets
4-turns 4-turns
summary Ee EEEEEe summary
sequence FGGGTKLTVLG sequence
110