Secondary structure calculation program - copyright by David Keith Smith, 1989
1tvdA.pdb
1TVD IMMUNORECEPTOR MOL_ID: 1; MOL_ID: 1;
Sequence length - 116
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 ASP D 0 0 999.9 124.2 -178.5 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 7 31
2 A 2 LYS K E E AA - 25 0 -150.8 157.4 178.6 -140.4 999.9 166.3 25 -1.8 25 -3.5 0 0.0 0 0.0 9 34
3 A 3 VAL V E E AA - 24 0 -121.2 126.6 179.8 -158.0 19.5 173.3 0 0.0 0 0.0 0 0.0 0 0.0 15 43
4 A 4 THR T E E AA - 23 0 -113.0 125.8 178.9 -166.8 6.9 160.7 23 -3.2 23 -2.2 0 0.0 6 -0.6 10 36
5 A 5 GLN Q + 0 0 -112.3 103.1 -176.1 175.3 10.8 159.3 0 0.0 0 0.0 0 0.0 0 0.0 13 43
6 A 6 SER S + 0 0 -86.8 -13.0 -179.8 101.8 42.2 59.1 4 -0.6 0 0.0 0 0.0 0 0.0 7 35
7 A 7 SER S S S S- 0 0 -73.1 148.0 179.5 -115.2 74.9 118.5 0 0.0 0 0.0 0 0.0 0 0.0 8 34
8 A 8 PRO P - 0 0 -79.6 157.5 176.7 -97.5 33.5 115.6 0 0.0 0 0.0 0 0.0 0 0.0 6 26
9 A 9 ASP D - 0 0 -68.2 142.6 -176.3 -176.8 60.1 127.1 0 0.0 0 0.0 0 0.0 0 0.0 7 30
10 A 10 GLN Q E E Bb - 112 0 -152.5 154.1 177.3 -147.0 37.7 170.6 111 -2.8 113 -2.7 0 0.0 0 0.0 7 31
11 A 11 THR T E E Bb + 113 0 -115.4 129.4 -177.3 173.1 34.7 167.3 0 0.0 0 0.0 0 0.0 0 0.0 9 31
12 A 12 VAL V E E Bb - 114 0 -139.5 161.5 -179.1 -97.4 32.2 157.1 113 -3.0 115 -2.7 0 0.0 0 0.0 9 32
13 A 13 ALA A E E Bb > T - 115 0 -81.5 145.5 178.4 -96.8 46.1 123.5 0 0.0 16 -1.9 0 0.0 0 0.0 9 26
14 A 14 SER S T e 3 TS+ 0 0 -55.9 139.1 -179.5 35.3 112.8 105.5 115 -2.5 0 0.0 0 0.0 0 0.0 11 24
15 A 15 GLY G T T 3 TS+ 0 0 96.9 -12.0 179.5 121.7 92.0 73.8 83 -3.1 0 0.0 0 0.0 0 0.0 8 26
16 A 16 SER S t < T - 0 0 -78.2 171.9 177.8 -113.7 64.5 102.6 13 -1.9 83 -2.5 0 0.0 0 0.0 9 27
17 A 17 GLU E - 0 0 -109.0 130.9 -179.6 -166.9 31.2 157.9 0 0.0 0 0.0 0 0.0 0 0.0 9 33
18 A 18 VAL V E E CC - 80 0 -123.4 138.4 179.0 -159.1 8.8 162.4 80 -2.8 80 -2.7 0 0.0 0 0.0 9 44
19 A 19 VAL V E E CC - 79 0 -118.0 121.1 178.8 -163.0 3.8 168.5 0 0.0 21 -0.6 0 0.0 0 0.0 9 48
20 A 20 LEU L E E CC - 78 0 -105.2 115.0 -179.3 -148.8 15.3 160.6 78 -3.5 78 -2.6 0 0.0 0 0.0 12 57
21 A 21 LEU L + 0 0 -87.4 143.2 178.6 170.0 21.1 127.9 19 -0.6 0 0.0 0 0.0 0 0.0 11 51
22 A 22 CYS C - 0 0 -152.9 129.3 177.7 -179.9 8.9 165.1 0 0.0 76 -2.7 0 0.0 0 0.0 14 57
23 A 23 THR T E E AAA - 4 75 -129.4 137.8 -179.5 -148.8 16.6 169.9 4 -2.2 4 -3.2 0 0.0 0 0.0 12 48
24 A 24 TYR Y E E AA - 3 0 -112.9 143.7 -179.0 -156.5 4.4 156.7 74 -2.1 26 -0.6 0 0.0 0 0.0 13 48
25 A 25 ASP D E E AA + 2 0 -120.2 98.5 179.8 122.5 42.2 157.0 2 -3.5 2 -1.8 0 0.0 0 0.0 9 37
26 A 26 THR T - 0 0 -152.3 158.3 -179.8 -145.7 52.7 167.0 24 -0.6 0 0.0 0 0.0 0 0.0 6 34
27 A 27 VAL V + 0 0 -104.8 -6.5 -179.9 115.5 65.0 62.1 0 0.0 0 0.0 0 0.0 0 0.0 5 24
28 A 28 TYR Y S S S- 0 0 -69.3 137.9 179.8 -109.9 72.4 112.9 0 0.0 0 0.0 0 0.0 0 0.0 7 28
29 A 29 SER S S S S- 0 0 -70.5 131.7 177.4 -16.1 85.4 118.8 0 0.0 0 0.0 0 0.0 0 0.0 4 23
30 A 30 ASN N S S S- 0 0 40.3 64.6 -180.0 -164.1 80.6 33.5 0 0.0 0 0.0 0 0.0 0 0.0 6 35
31 A 31 PRO P - 0 0 -75.4 152.9 177.9 -108.0 24.5 108.3 0 0.0 0 0.0 0 0.0 0 0.0 11 45
32 A 32 ASP D e - 0 0 -79.1 134.4 -179.3 -157.5 39.1 134.3 0 0.0 96 -2.6 0 0.0 0 0.0 10 50
33 A 33 LEU L E E BDE - 50 95 -115.7 149.6 -178.5 -174.8 11.3 152.4 50 -3.0 50 -1.8 0 0.0 0 0.0 12 61
34 A 34 PHE F E E BDE - 49 94 -145.2 157.9 175.2 -154.9 23.1 169.0 94 -2.7 94 -1.8 0 0.0 0 0.0 12 62
35 A 35 TRP W E E BDE + 48 93 -131.1 123.2 179.3 174.2 24.7 175.9 48 -2.2 47 -2.5 0 0.0 48 -1.6 13 62
36 A 36 TYR Y E E BDE - 46 92 -126.0 158.2 177.8 -156.5 12.8 154.7 92 -2.7 92 -3.3 0 0.0 0 0.0 12 56
37 A 37 ARG R E E BDE - 45 91 -141.5 138.9 -179.6 -150.3 3.9 178.1 45 -1.9 45 -2.3 0 0.0 0 0.0 12 50
38 A 38 ILE I E E BDE - 44 90 -112.4 129.6 179.4 -151.5 10.5 160.0 90 -2.2 90 -1.7 0 0.0 0 0.0 11 33
39 A 39 ARG R e > T - 0 0 -91.7 163.4 -179.5 -96.3 36.3 124.1 43 -2.7 42 -2.1 0 0.0 0 0.0 10 27
40 A 40 PRO P T T 3 TS+ 0 0 -50.6 -29.9 -179.9 64.4 120.2 42.8 0 0.0 0 0.0 0 0.0 0 0.0 6 22
41 A 41 ASP D T T 3 TS- 0 0 -79.9 9.1 179.7 -104.8 121.0 69.0 0 0.0 0 0.0 0 0.0 0 0.0 4 13
42 A 42 TYR Y S t < TS+ 0 0 83.3 1.5 -179.6 141.5 75.5 65.3 39 -2.1 0 0.0 0 0.0 0 0.0 6 16
43 A 43 SER S e - 0 0 -81.3 129.7 179.0 -153.1 38.1 128.9 0 0.0 39 -2.7 0 0.0 0 0.0 7 18
44 A 44 PHE F E E BD - 38 0 -98.4 148.5 179.3 -159.4 7.0 135.2 0 0.0 0 0.0 0 0.0 0 0.0 8 29
45 A 45 GLN Q E E BD - 37 0 -133.1 129.9 176.2 -126.0 19.8 175.7 37 -2.3 37 -1.9 0 0.0 0 0.0 7 32
46 A 46 PHE F E E BD + 36 0 -68.5 131.3 -178.7 172.3 35.1 125.7 0 0.0 0 0.0 0 0.0 0 0.0 9 38
47 A 47 VAL V E E B* - 0 0 -109.3 -54.4 -179.0 -7.7 51.7 36.0 35 -2.5 58 -2.8 0 0.0 0 0.0 11 49
48 A 48 PHE F E E BDF - 35 57 -151.0 151.6 179.6 -164.2 50.3 172.5 35 -1.6 35 -2.2 0 0.0 0 0.0 12 50
49 A 49 TYR Y E E BDF + 34 56 -131.9 154.4 177.9 160.1 17.0 157.6 56 -2.3 56 -2.4 0 0.0 0 0.0 11 45
50 A 50 GLY G E E BDF - 33 55 -174.1 149.5 175.9 -170.2 19.3 163.8 33 -1.8 33 -3.0 0 0.0 0 0.0 11 42
51 A 51 ASP D e - 0 0 -122.9 -160.9 -177.9 -66.7 61.1 125.5 54 -2.4 0 0.0 0 0.0 0 0.0 10 41
52 A 52 ASP D S S S+ 0 0 -72.3 -8.7 -178.8 25.6 130.6 50.8 0 0.0 0 0.0 0 0.0 0 0.0 8 33
53 A 53 SER S S S S+ 0 0 -128.0 -14.6 -179.3 28.3 121.6 58.0 0 0.0 0 0.0 0 0.0 0 0.0 5 24
54 A 54 ARG R e - 0 0 -145.9 169.3 179.3 -162.8 49.7 160.9 0 0.0 51 -2.4 0 0.0 0 0.0 6 24
55 A 55 SER S E E BF - 50 0 -151.9 145.2 179.9 -169.8 4.6 169.0 0 0.0 0 0.0 0 0.0 0 0.0 9 36
56 A 56 GLU E E E BF - 49 0 -143.1 127.5 -179.5 -154.7 10.0 170.2 49 -2.4 49 -2.3 0 0.0 0 0.0 7 33
57 A 57 GLY G E E BF - 48 0 -99.0 168.3 179.0 -87.4 31.2 122.2 0 0.0 0 0.0 0 0.0 0 0.0 12 35
58 A 57A ALA A e > T - 0 0 -64.0 167.5 -178.5 -98.7 50.1 102.8 47 -2.8 61 -1.4 0 0.0 0 0.0 9 30
59 A 57B ASP D G G > TS+ 0 0 -60.1 -33.8 -179.0 54.3 123.0 34.6 0 0.0 62 -0.8 0 0.0 0 0.0 5 19
60 A 57C PHE F G G 3 TS+ 0 0 -77.6 -9.9 -178.0 70.2 95.6 51.6 0 0.0 0 0.0 0 0.0 0 0.0 5 28
61 A 57D THR T G G > X T + 0 0 -83.0 -15.3 -177.7 116.1 64.6 48.8 58 -1.4 65 -2.1 0 0.0 64 -1.4 10 32
62 A 57E GLN Q T g 4 < TS+ 0 0 -62.7 111.8 179.2 10.6 85.7 112.2 59 -0.8 0 0.0 0 0.0 0 0.0 8 24
63 A 58 GLY G T T 4 3 TS+ 0 0 113.4 -27.6 -177.8 44.9 130.1 90.9 0 0.0 0 0.0 0 0.0 0 0.0 4 23
64 A 59 ARG R T e 4 < TS+ 0 0 -122.8 -20.9 -178.9 60.8 99.8 56.5 61 -1.4 81 -3.1 0 0.0 0 0.0 9 32
65 A 60 PHE F E E >T - 75 0 -106.2 99.3 -178.7 -170.3 7.0 150.2 75 -1.7 75 -2.1 68 -0.8 73 -0.9 8 29
71 A 66 LEU L G G >5TS+ 0 0 -55.8 -43.1 -179.2 57.8 84.2 28.0 69 -0.8 74 -1.0 0 0.0 0 0.0 7 30
72 A 67 THR T G G 35TS+ 0 0 -60.1 -30.5 -178.9 33.0 117.7 36.2 0 0.0 0 0.0 0 0.0 0 0.0 5 21
73 A 68 GLN Q G G <5TS- 0 0 -107.0 3.2 -177.8 -122.6 104.9 69.4 70 -0.9 0 0.0 0 0.0 0 0.0 6 26
74 A 69 LYS K T g <5T + 0 0 51.5 49.9 -179.4 155.5 61.2 16.3 71 -1.0 24 -2.1 0 0.0 0 0.0 10 40
75 A 70 ALA A E E CAG T - 0 0 -128.9 167.3 -179.1 -100.2 37.4 147.1 0 0.0 87 -1.9 0 0.0 0 0.0 10 32
85 A 80 THR T G G > TS+ 0 0 -60.4 -29.4 179.7 66.0 119.4 33.7 0 0.0 88 -1.8 0 0.0 0 0.0 10 31
86 A 81 GLU E G G 3 TS+ 0 0 -64.7 -17.9 -179.4 66.0 90.9 45.3 0 0.0 0 0.0 0 0.0 0 0.0 5 37
87 A 82 ASP D G G < T + 0 0 -81.8 -8.1 179.5 122.4 68.7 58.7 84 -1.9 0 0.0 0 0.0 0 0.0 9 55
88 A 83 SER S g < T + 0 0 -58.9 119.7 -178.9 101.4 42.6 114.7 85 -1.8 0 0.0 0 0.0 0 0.0 11 45
89 A 84 ALA A E E B H S- 0 112 -179.7 178.4 177.2 -84.7 76.2 163.9 112 -2.1 112 -2.6 0 0.0 91 -0.5 11 43
90 A 85 THR T E E BEH - 38 111 -108.8 124.1 -177.7 -143.5 44.0 162.3 38 -1.7 38 -2.2 0 0.0 0 0.0 11 48
91 A 86 TYR Y E E BEH - 37 110 -94.9 134.0 179.7 -163.9 12.6 141.8 110 -3.0 110 -2.1 89 -0.5 0 0.0 13 59
92 A 87 TYR Y E E BE - 36 0 -120.2 132.7 178.1 -158.6 4.4 162.6 36 -3.3 36 -2.7 0 0.0 0 0.0 12 53
93 A 88 CYS C E E BE + 35 0 -104.8 145.9 -178.5 163.0 22.8 144.0 0 0.0 107 -2.8 0 0.0 0 0.0 14 61
94 A 89 ALA A E E BEI - 34 106 -160.1 155.5 177.2 -148.1 24.3 170.7 34 -1.8 34 -2.7 0 0.0 0 0.0 13 55
95 A 90 PHE F E E BEI - 33 105 -128.6 155.9 -178.6 -114.3 24.5 158.3 105 -1.4 105 -1.9 0 0.0 0 0.0 13 52
96 A 91 THR T E E B I - 0 104 -93.4 138.7 176.1 -132.7 16.0 134.0 32 -2.6 0 0.0 0 0.0 0 0.0 11 39
97 A 92 LEU L e >T - 0 0 -82.9 140.0 -179.5 -104.7 41.8 135.2 103 -2.6 102 -0.6 0 0.0 0 0.0 12 30
98 A 98 PRO P T T > >5T - 0 0 -62.5 167.0 179.6 -37.1 59.1 92.5 0 0.0 102 -1.4 0 0.0 101 -1.0 9 22
99 A 99 PRO P T T 4 35TS+ 0 0 -60.7 153.9 -0.8 29.2 119.5 107.4 0 0.0 0 0.0 0 0.0 0 0.0 5 15
100 A 100 PRO P T T 4 35TS+ 0 0 -80.8 -3.3 -178.9 44.1 129.5 175.1 0 0.0 0 0.0 0 0.0 0 0.0 4 11
101 A 101 THR T T T 4 <5T + 0 0 -64.1 -59.8 179.7 172.5 68.6 11.6 98 -1.0 0 0.0 0 0.0 0 0.0 6 14
102 A 102 ASP D t < 5555< >555 5-turns
3-turns >33< >33< >>3X<3< >>3<< >>3<< >33 3-turns
bridge-2 A EEEEEE FFF GGGGGG HHH III bridge-2
bridge-1 AAA bbbb CCC AAA DDDDDD DDD*DDD FFF GGGGGG A CCC EEEEEE bridge-1
sheets AAA BBBB CCC AAA BBBBBB BBBBBBB BBB CCCCCC CCCCCC BBBBBBBB sheets
4-turns >444< >44 4-turns
summary EEE S EEEEeTt EEE EEE SSS eEEEEEEeTTteEEEEEEEeSSeEEEeGGGgTeEEEEEEGGGgEEEEEEeS gGGGgEEEEEEEEeTTT summary
sequence DKVTQSSPDQTVASGSEVVLLCTYDTVYSNPDLFWYRIRPDYSFQFVFYGDDSRSEGADFTQGRFSVKHILTQKAFHLVISPVRTEDSATYYCAFTLPPP sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand T EEE EEEEEE Kabs/Sand
chirality ++------------ chirality
bends bends
turns TT turns
5-turns 5< 5-turns
3-turns < 3-turns
bridge-2 HHH bridge-2
bridge-1 III bbbb bridge-1
sheets BBB BBBBBB sheets
4-turns 4< 4-turns
summary TteEEEe EEEEEE summary
sequence TDKLIFGKGTRVTVEP sequence
110