Secondary structure calculation program - copyright by David Keith Smith, 1989
1cdy-.pdb
1CDY T-CELL SURFACE GLYCOPROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 178
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 LYS K 0 0 999.9 -141.5 178.6 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 24
2 2 LYS K E E Aa - 93 0 -68.1 140.1 -179.7 -156.5 999.9 113.8 92 -0.8 94 -3.0 0 0.0 0 0.0 6 28
3 3 VAL V E E Aa - 94 0 -120.3 138.0 -178.5 -170.8 7.4 161.2 0 0.0 0 0.0 0 0.0 0 0.0 10 39
4 4 VAL V E E Aa - 95 0 -134.4 131.9 179.8 -150.0 10.1 176.4 94 -3.2 96 -2.2 0 0.0 0 0.0 10 47
5 5 LEU L E E Aa + 96 0 -102.3 137.9 -179.7 179.8 18.2 146.5 0 0.0 0 0.0 0 0.0 0 0.0 12 57
6 6 GLY G E E Aa - 97 0 -133.7 162.7 -178.1 -112.6 24.6 155.8 96 -2.2 98 -2.1 0 0.0 0 0.0 13 53
7 7 LYS K E E Aa > T - 98 0 -103.6 143.2 178.8 -99.3 35.7 142.6 0 0.0 10 -2.3 0 0.0 0 0.0 12 48
8 8 LYS K T e 3 TS+ 0 0 -52.5 132.0 178.1 11.4 110.9 104.7 98 -2.3 0 0.0 0 0.0 0 0.0 11 40
9 9 GLY G T T 3 TS+ 0 0 82.2 -15.4 178.1 102.6 110.5 76.3 74 -3.1 73 -0.5 0 0.0 0 0.0 8 35
10 10 ASP D S t < TS- 0 0 -90.3 -175.5 -179.1 -105.3 73.0 102.4 7 -2.3 74 -1.7 0 0.0 0 0.0 9 34
11 11 THR T - 0 0 -111.1 147.7 177.0 -170.7 29.7 143.6 0 0.0 0 0.0 0 0.0 0 0.0 11 36
12 12 VAL V E E BB - 71 0 -137.6 151.5 179.2 -152.3 11.0 162.0 71 -1.9 71 -2.2 0 0.0 0 0.0 10 46
13 13 GLU E E E BB - 70 0 -125.6 117.7 179.8 -155.3 9.1 175.0 0 0.0 0 0.0 0 0.0 0 0.0 8 48
14 14 LEU L E E BB - 69 0 -94.5 133.0 -177.1 -125.0 23.5 148.5 69 -2.7 69 -2.0 0 0.0 0 0.0 9 54
15 15 THR T + 0 0 -85.5 148.5 177.0 176.1 29.2 118.2 0 0.0 0 0.0 0 0.0 0 0.0 8 48
16 16 CYS C + 0 0 -149.2 103.9 -178.7 176.3 8.7 140.9 0 0.0 67 -3.3 0 0.0 0 0.0 10 53
17 17 THR T B B A - 66 0 -113.0 131.5 -178.9 -147.5 15.9 155.3 0 0.0 0 0.0 0 0.0 0 0.0 7 40
18 18 ALA A - 0 0 -83.0 -170.3 178.2 -167.7 11.7 92.8 65 -3.1 0 0.0 0 0.0 0 0.0 11 33
19 19 SER S + 0 0 -142.4 -54.2 180.0 76.6 64.9 74.4 0 0.0 0 0.0 0 0.0 0 0.0 6 26
20 20 GLN Q S S S- 0 0 -58.8 171.8 -178.2 -31.4 107.3 87.3 0 0.0 0 0.0 0 0.0 0 0.0 4 23
21 21 LYS K S S S- 0 0 -31.8 131.3 -177.7 -83.9 88.4 82.9 0 0.0 0 0.0 0 0.0 0 0.0 7 20
22 22 LYS K S S S- 0 0 -52.9 133.6 -179.8 -3.3 89.2 93.5 0 0.0 0 0.0 0 0.0 0 0.0 10 24
23 23 SER S S S S+ 0 0 52.3 119.4 177.0 132.9 73.4 22.1 62 -0.5 0 0.0 0 0.0 0 0.0 10 36
24 24 ILE I - 0 0 -153.1 -146.4 179.5 -20.1 53.5 131.0 0 0.0 0 0.0 0 0.0 0 0.0 9 37
25 25 GLN Q e + 0 0 -75.7 135.4 180.0 158.2 65.4 124.3 0 0.0 87 -2.1 0 0.0 0 0.0 9 40
26 26 PHE F E E AC + 86 0 -155.4 164.4 173.9 176.9 18.2 168.8 0 0.0 39 -1.4 0 0.0 0 0.0 11 55
27 27 HIS H E E ACD - 85 38 -168.4 151.0 174.1 -137.1 19.9 161.5 85 -1.9 85 -2.4 0 0.0 0 0.0 12 57
28 28 TRP W E E ACD + 84 37 -109.7 143.3 179.0 177.0 24.3 156.0 37 -3.0 36 -3.3 0 0.0 37 -1.1 13 61
29 29 LYS K E E ACD - 83 35 -138.2 157.6 178.0 -122.3 25.5 153.0 83 -2.3 83 -3.1 0 0.0 0 0.0 13 49
30 30 ASN N E E AC > T - 82 0 -92.1 176.8 178.1 -73.9 54.1 117.2 34 -1.4 33 -0.8 0 0.0 0 0.0 12 42
31 31 SER S T e 3 TS+ 0 0 -37.0 -53.1 180.0 53.9 128.7 32.0 81 -0.7 33 -1.0 0 0.0 0 0.0 9 31
32 32 ASN N T T 3 TS- 0 0 -94.4 64.4 177.4 -98.0 118.9 108.8 0 0.0 0 0.0 0 0.0 0 0.0 5 24
33 33 GLN Q S t < TS+ 0 0 37.6 30.4 177.3 148.6 72.4 45.4 31 -1.0 35 -0.8 30 -0.8 0 0.0 6 26
34 34 ILE I e - 0 0 -94.1 108.0 -179.8 -129.3 48.2 148.2 0 0.0 30 -1.4 0 0.0 0 0.0 8 28
35 35 LYS K E E AD + 29 0 -54.6 136.9 178.0 179.1 28.4 107.7 33 -0.8 0 0.0 0 0.0 0 0.0 11 37
36 36 ILE I E E A* - 0 0 -105.6 -54.4 177.6 -31.2 62.0 44.1 28 -3.3 47 -2.0 0 0.0 0 0.0 15 47
37 37 LEU L E E ADE + 28 46 -160.8 167.1 177.8 150.7 60.4 166.0 28 -1.1 28 -3.0 0 0.0 0 0.0 13 49
38 38 GLY G E E ADE - 27 45 -171.6 -162.3 178.6 -64.1 44.4 155.0 45 -1.7 45 -2.1 0 0.0 0 0.0 12 50
39 39 ASN N E E A E - 0 44 -109.1 156.6 176.1 -161.8 17.2 137.3 26 -1.4 0 0.0 0 0.0 0 0.0 11 38
40 40 GLN Q E E A E> TS- 0 43 -128.9 94.9 -178.1 -58.5 78.2 159.5 43 -2.5 43 -2.4 0 0.0 0 0.0 7 24
41 41 GLY G T T 3 TS- 0 0 65.0 -116.3 -179.3 -10.7 125.0 114.9 0 0.0 0 0.0 0 0.0 0 0.0 5 21
42 42 SER S T T 3 TS+ 0 0 -95.9 4.0 -176.0 78.6 126.6 67.6 0 0.0 0 0.0 0 0.0 0 0.0 5 26
43 43 PHE F E E AE < TS- 40 0 -118.0 166.9 179.6 -112.7 75.8 129.9 40 -2.4 40 -2.5 0 0.0 0 0.0 7 25
44 44 LEU L E E AE - 39 0 -96.1 148.6 179.0 -168.3 23.8 135.2 0 0.0 0 0.0 0 0.0 0 0.0 10 36
45 45 THR T E E AE - 38 0 -139.3 126.4 177.4 -152.4 9.0 176.7 38 -2.1 38 -1.7 0 0.0 47 -0.5 8 34
46 46 LYS K E E AE - 37 0 -104.2 127.7 179.3 -143.0 13.9 160.7 0 0.0 0 0.0 0 0.0 0 0.0 11 35
47 47 SER S e - 0 0 -78.2 168.8 -175.6 -89.2 40.2 110.2 36 -2.0 49 -2.8 45 -0.5 0 0.0 8 29
48 48 PRO P S S S+ 0 0 -81.8 65.7 179.3 157.3 72.7 104.9 0 0.0 0 0.0 0 0.0 0 0.0 7 22
49 49 SER S t > T - 0 0 -86.9 170.7 179.8 -104.9 61.6 111.3 47 -2.8 52 -1.5 0 0.0 0 0.0 9 31
50 50 LYS K T T 3 TS+ 0 0 -69.4 2.2 -179.9 43.8 123.7 64.7 0 0.0 0 0.0 0 0.0 0 0.0 4 31
51 51 LEU L T g > > TS+ 0 0 -127.2 1.0 -177.7 120.8 74.1 67.6 0 0.0 54 -3.0 0 0.0 55 -1.1 9 38
52 52 ASN N G G 4 X TS+ 0 0 -34.6 -60.4 -177.8 47.7 76.1 32.0 49 -1.5 55 -1.1 0 0.0 0 0.0 11 30
53 53 ASP D G G 4 3 TS+ 0 0 -73.7 11.6 176.7 37.8 121.7 68.8 0 0.0 0 0.0 0 0.0 0 0.0 4 24
54 54 ARG R G e 4 < TS+ 0 0 -133.0 -1.8 -179.6 90.9 99.2 68.4 51 -3.0 72 -2.6 0 0.0 0 0.0 8 35
55 55 ALA A E E > T - 0 0 -133.2 94.7 -176.9 -163.2 22.1 147.5 0 0.0 61 -1.5 0 0.0 62 -0.6 8 38
59 59 ARG R G G 4 > TS+ 0 0 -46.8 -43.0 179.3 63.0 84.0 37.7 0 0.0 62 -1.0 0 0.0 0 0.0 9 36
60 60 SER S G G 4 > TS+ 0 0 -55.6 -31.6 -178.9 57.4 99.1 34.1 0 0.0 63 -0.7 0 0.0 0 0.0 6 26
61 61 LEU L G G 4 X>TS+ 0 0 -71.4 -29.7 -179.9 78.4 85.1 39.2 58 -1.5 64 -2.2 0 0.0 66 -1.8 9 34
62 62 TRP W G G < X5TS+ 0 0 -47.4 -41.5 179.2 57.2 88.7 31.5 59 -1.0 65 -1.7 58 -0.6 23 -0.5 12 41
63 63 ASP D G G <5TS+ 0 0 -62.7 -24.1 -178.4 50.5 107.2 51.5 60 -0.7 0 0.0 0 0.0 0 0.0 9 29
64 64 GLN Q G G <5TS- 0 0 -103.3 18.7 178.6 -103.7 125.0 89.6 61 -2.2 0 0.0 0 0.0 0 0.0 8 25
65 65 GLY G T g <5TS+ 0 0 65.3 36.8 -179.2 125.8 82.4 36.2 62 -1.7 18 -3.1 0 0.0 0 0.0 13 37
66 66 ASN N B B A T - 0 0 -111.0 158.0 179.2 -118.3 31.5 139.2 0 0.0 78 -1.5 0 0.0 0 0.0 9 36
76 76 ILE I G G > TS+ 0 0 -73.7 -18.6 178.2 69.3 114.4 34.8 0 0.0 79 -1.8 0 0.0 0 0.0 13 39
77 77 GLU E G G 3 TS+ 0 0 -68.7 -9.8 179.8 75.4 83.0 53.1 0 0.0 0 0.0 0 0.0 0 0.0 7 38
78 78 ASP D G G < T + 0 0 -75.0 -14.4 176.9 108.5 68.4 61.9 75 -1.5 0 0.0 0 0.0 0 0.0 9 54
79 79 SER S g < T + 0 0 -66.4 132.2 -175.9 114.4 43.2 125.4 76 -1.8 0 0.0 0 0.0 0 0.0 11 53
80 80 ASP D E E A G S- 0 95 178.9 177.5 177.9 -85.0 74.6 156.3 95 -1.1 95 -2.7 0 0.0 82 -0.6 10 47
81 81 THR T E E A G - 0 94 -107.9 124.7 178.9 -157.6 47.1 161.5 0 0.0 31 -0.7 0 0.0 0 0.0 10 45
82 82 TYR Y E E ACG - 30 93 -103.5 152.5 -174.8 -145.3 1.7 150.3 93 -2.9 93 -2.6 80 -0.6 0 0.0 12 52
83 83 ILE I E E ACG - 29 92 -127.0 130.7 178.4 -167.2 9.5 157.7 29 -3.1 29 -2.3 0 0.0 0 0.0 12 47
84 84 CYS C E E ACG - 28 91 -115.8 135.4 176.1 -172.4 5.9 162.5 91 -2.6 91 -2.5 0 0.0 0 0.0 12 52
85 85 GLU E E E ACG - 27 90 -128.6 130.6 178.6 -176.3 5.9 178.6 27 -2.4 27 -1.9 0 0.0 0 0.0 11 43
86 86 VAL V E E ACG> T - 26 89 -125.3 122.5 -176.4 -50.7 69.0 178.3 89 -2.9 89 -1.9 0 0.0 0 0.0 11 43
87 87 GLU E T e 3 TS- 0 0 46.9 -117.6 180.0 -25.9 123.7 106.0 25 -2.1 0 0.0 0 0.0 0 0.0 7 30
88 88 ASP D T T 3 TS+ 0 0 -96.5 -18.4 179.1 100.8 117.0 54.6 0 0.0 0 0.0 0 0.0 0 0.0 5 23
89 89 GLN Q E E A G< T - 0 86 -70.0 134.0 176.9 -168.4 55.0 123.3 86 -1.9 86 -2.9 0 0.0 0 0.0 7 28
90 90 LYS K E E A G - 0 85 -124.3 151.9 -177.6 -179.3 7.0 163.6 0 0.0 0 0.0 0 0.0 0 0.0 8 37
91 91 GLU E E E A G - 0 84 -150.0 147.2 178.0 -146.5 13.4 172.7 84 -2.5 84 -2.6 0 0.0 0 0.0 8 38
92 92 GLU E E E A G - 0 83 -120.8 143.9 178.3 -177.3 10.3 156.8 0 0.0 2 -0.8 0 0.0 0 0.0 10 40
93 93 VAL V E E AaG - 2 82 -139.4 116.4 177.1 -151.6 14.6 163.4 82 -2.6 82 -2.9 0 0.0 0 0.0 12 44
94 94 GLN Q E E AaG - 3 81 -88.8 127.4 179.5 -158.6 13.8 142.6 2 -3.0 4 -3.2 0 0.0 0 0.0 12 48
95 95 LEU L E E AaG - 4 80 -109.7 127.5 177.5 -170.8 7.4 159.6 80 -2.7 80 -1.1 0 0.0 0 0.0 13 60
96 96 LEU L E E Aa - 5 0 -118.9 117.6 -179.2 -161.6 7.6 175.3 4 -2.2 6 -2.2 0 0.0 0 0.0 15 56
97 97 VAL V E E Aa - 6 0 -103.9 133.5 179.8 -175.3 11.7 153.8 0 0.0 0 0.0 0 0.0 0 0.0 16 56
98 98 PHE F E E Aa - 7 0 -127.3 158.3 176.3 -156.6 12.8 153.9 6 -2.1 8 -2.3 0 0.0 0 0.0 13 56
99 99 GLY G E E AH - 119 0 -131.2 150.0 178.7 -163.2 2.3 164.6 119 -2.0 119 -2.1 0 0.0 0 0.0 11 55
100 100 LEU L E E AH + 118 0 -139.0 96.0 -177.7 166.6 25.2 145.8 0 0.0 0 0.0 0 0.0 0 0.0 10 56
101 101 THR T E E AH - 117 0 -105.5 171.8 180.0 -149.3 26.4 120.7 117 -2.4 117 -2.3 0 0.0 0 0.0 8 44
102 102 ALA A E E AH + 116 0 -147.6 116.4 179.2 177.7 13.5 159.4 0 0.0 0 0.0 0 0.0 0 0.0 10 39
103 103 ASN N e + 0 0 -91.0 -16.3 -178.9 107.5 56.5 51.8 115 -0.6 105 -2.8 0 0.0 0 0.0 8 27
104 104 SER S S S S- 0 0 -66.8 65.1 177.8 -96.7 100.8 108.1 115 -0.8 106 -3.1 0 0.0 0 0.0 10 32
105 105 ASP D - 0 0 48.6 -24.7 -177.8 -128.8 38.6 85.2 103 -2.8 0 0.0 0 0.0 0 0.0 6 27
106 106 THR T S e S+ 0 0 67.7 -14.5 179.9 66.3 99.5 77.3 104 -3.1 175 -2.1 0 0.0 0 0.0 10 37
107 107 HIS H E E Ci S+ 175 0 -136.3 96.5 -175.5 178.6 80.5 156.3 0 0.0 0 0.0 0 0.0 0 0.0 9 32
108 108 LEU L E E Ci - 176 0 -111.1 156.5 178.9 -117.2 29.6 142.4 175 -3.4 177 -3.3 0 0.0 0 0.0 12 33
109 109 LEU L E E Ci > T - 177 0 -87.9 141.2 -178.6 -84.6 50.8 129.2 0 0.0 112 -1.5 0 0.0 0 0.0 9 26
110 110 GLN Q T e 3 TS+ 0 0 -46.2 137.9 -179.6 26.6 114.1 93.2 177 -2.5 0 0.0 0 0.0 0 0.0 11 25
111 111 GLY G T T 3 TS+ 0 0 87.3 -0.4 -179.6 129.1 96.3 64.9 149 -2.6 0 0.0 0 0.0 0 0.0 8 26
112 112 GLN Q t < T - 0 0 -84.4 171.1 -179.1 -114.4 57.6 105.6 109 -1.5 149 -1.2 0 0.0 0 0.0 9 30
113 113 SER S - 0 0 -112.2 132.9 177.8 -163.1 19.7 153.5 0 0.0 0 0.0 0 0.0 0 0.0 10 33
114 114 LEU L E E A J - 0 146 -106.5 153.8 179.2 -163.2 7.8 145.4 146 -1.2 146 -1.2 0 0.0 0 0.0 13 48
115 115 THR T E E A J - 0 145 -141.6 131.3 179.4 -158.2 2.5 175.0 0 0.0 104 -0.8 0 0.0 103 -0.6 11 46
116 116 LEU L E E AHJ - 102 144 -110.9 144.2 -178.7 -153.8 6.6 153.4 144 -2.4 144 -1.3 0 0.0 0 0.0 13 49
117 117 THR T E E AHJ - 101 143 -124.8 120.9 177.8 -155.2 2.3 171.3 101 -2.3 101 -2.4 0 0.0 119 -0.5 11 43
118 118 LEU L E E AH - 100 0 -93.1 127.3 179.2 -156.2 10.9 152.0 142 -2.8 120 -0.5 0 0.0 0 0.0 12 51
119 119 GLU E E E AH - 99 0 -106.6 118.5 -179.2 -176.7 18.5 165.0 99 -2.1 99 -2.0 117 -0.5 0 0.0 10 44
120 120 SER S - 0 0 -118.6 157.7 179.3 -103.1 29.2 147.4 118 -0.5 0 0.0 0 0.0 0 0.0 11 45
121 121 PRO P t > T - 0 0 -70.9 157.6 -179.5 -71.7 62.7 110.6 0 0.0 124 -1.3 0 0.0 0 0.0 11 37
122 122 PRO P T T 3 TS+ 0 0 -55.3 138.9 -178.7 16.5 121.7 102.2 0 0.0 0 0.0 0 0.0 0 0.0 4 24
123 123 GLY G T T 3 TS+ 0 0 92.0 -37.6 -179.4 129.6 94.5 97.1 0 0.0 0 0.0 0 0.0 0 0.0 4 24
124 124 SER S t < T + 0 0 -59.5 131.3 179.5 174.6 29.2 104.2 121 -1.3 0 0.0 0 0.0 0 0.0 7 36
125 125 SER S + 0 0 -138.5 108.0 179.2 148.7 19.4 167.8 0 0.0 0 0.0 0 0.0 0 0.0 7 34
126 126 PRO P - 0 0 -119.4 -149.5 -178.9 -105.9 40.4 111.4 0 0.0 0 0.0 0 0.0 0 0.0 8 43
127 127 SER S - 0 0 -156.2 127.0 -178.0 -146.0 15.6 160.8 162 -0.9 129 -0.6 0 0.0 0 0.0 12 42
128 128 VAL V B B B - 140 0 -101.8 116.7 -179.4 -178.4 13.0 145.6 140 -2.4 140 -0.9 0 0.0 130 -0.7 14 49
129 129 GLN Q - 0 0 -116.8 85.2 -179.5 -171.3 7.5 133.3 160 -2.5 0 0.0 127 -0.6 0 0.0 12 44
130 130 CYS C - 0 0 -77.7 121.6 177.8 -158.8 8.3 123.3 128 -0.7 138 -2.2 0 0.0 132 -0.7 11 47
131 131 ARG R B B CD - 158 137 -100.8 114.2 -178.9 -137.0 21.0 154.0 158 -2.5 158 -1.6 0 0.0 0 0.0 12 38
132 132 SER S t > T - 0 0 -64.7 167.7 -179.9 -91.2 32.9 99.5 136 -2.6 135 -1.3 130 -0.7 0 0.0 12 41
133 133 PRO P T T 3 TS+ 0 0 -59.2 -4.3 -179.0 49.1 127.6 53.4 0 0.0 0 0.0 0 0.0 0 0.0 11 30
134 134 ARG R T T 3 TS- 0 0 -131.4 45.9 179.2 -96.4 120.8 103.7 0 0.0 0 0.0 0 0.0 0 0.0 7 27
135 135 GLY G S t < TS+ 0 0 63.4 -13.4 -179.9 130.8 82.0 73.7 132 -1.3 0 0.0 0 0.0 0 0.0 6 21
136 136 LYS K - 0 0 -67.1 155.7 -177.3 -151.7 44.5 111.9 0 0.0 132 -2.6 0 0.0 0 0.0 7 29
137 137 ASN N B B D - 131 0 -138.6 142.6 177.8 -173.0 18.6 171.3 0 0.0 0 0.0 0 0.0 0 0.0 8 32
138 138 ILE I - 0 0 -116.3 180.0 177.6 -160.6 11.7 125.0 130 -2.2 0 0.0 0 0.0 0 0.0 11 36
139 139 GLN Q + 0 0 -162.5 152.1 -179.7 133.7 19.2 164.3 0 0.0 0 0.0 0 0.0 0 0.0 9 34
140 140 GLY G B B B - 128 0 -174.8 -168.9 -179.2 -114.5 46.1 167.1 128 -0.9 128 -2.4 0 0.0 0 0.0 9 34
141 141 GLY G S S S- 0 0 -119.4 -40.7 177.7 -11.5 102.7 46.8 143 -0.5 0 0.0 0 0.0 0 0.0 10 32
142 142 LYS K S e S+ 0 0 -134.0 -22.1 -177.2 33.0 133.5 63.2 0 0.0 118 -2.8 0 0.0 0 0.0 10 37
143 143 THR T E E AJ - 117 0 -143.4 143.2 177.3 -178.2 53.8 172.1 0 0.0 141 -0.5 0 0.0 0 0.0 9 35
144 144 LEU L E E AJ - 116 0 -137.1 147.0 179.1 -172.9 12.3 168.0 116 -1.3 116 -2.4 0 0.0 0 0.0 12 42
145 145 SER S E E AJ - 115 0 -143.6 155.6 176.9 -162.8 24.8 167.4 0 0.0 0 0.0 0 0.0 0 0.0 9 42
146 146 VAL V E E AJ - 114 0 -133.7 95.9 -177.2 -174.6 16.4 153.5 114 -1.2 114 -1.2 0 0.0 0 0.0 9 46
147 147 SER S S S S+ 0 0 -85.2 18.0 179.2 55.6 72.8 76.7 0 0.0 0 0.0 0 0.0 0 0.0 8 30
148 148 GLN Q S S S- 0 0 -148.1 81.1 -177.4 -165.0 78.6 135.5 0 0.0 0 0.0 0 0.0 0 0.0 8 28
149 149 LEU L - 0 0 -80.3 125.6 177.9 -156.9 2.5 129.0 112 -1.2 111 -2.6 0 0.0 0 0.0 13 39
150 150 GLU E - 0 0 -92.0 162.3 177.8 -128.0 22.8 122.7 0 0.0 0 0.0 0 0.0 0 0.0 9 33
151 151 LEU L S t > TS+ 0 0 -73.5 -46.2 -179.3 60.1 112.0 17.5 0 0.0 154 -2.6 0 0.0 0 0.0 10 30
152 152 GLN Q T T 3 TS+ 0 0 -58.3 -7.1 177.0 74.6 88.8 56.1 0 0.0 0 0.0 0 0.0 0 0.0 6 28
153 153 ASP D T T 3 TS+ 0 0 -86.1 6.2 177.6 119.1 73.2 67.4 0 0.0 0 0.0 0 0.0 0 0.0 12 40
154 154 SER S t < T + 0 0 -63.8 158.7 178.6 45.3 50.7 103.0 151 -2.6 0 0.0 0 0.0 0 0.0 11 37
155 155 GLY G E E CK S- 174 0 112.2 -159.7 -179.8 -16.4 95.9 138.7 174 -2.4 174 -3.4 0 0.0 0 0.0 9 32
156 156 THR T E E CK - 173 0 -90.8 144.2 177.2 -166.6 52.8 135.6 0 0.0 0 0.0 0 0.0 0 0.0 10 36
157 157 TRP W E E CK - 172 0 -117.2 171.7 177.2 -134.3 15.2 133.0 172 -1.9 172 -0.7 0 0.0 0 0.0 12 44
158 158 THR T E E CKC - 171 131 -138.6 97.6 179.7 -179.0 20.8 147.5 131 -1.6 131 -2.5 0 0.0 0 0.0 13 42
159 159 CYS C E E CK - 170 0 -92.6 134.6 179.5 -171.8 7.2 142.1 170 -3.1 170 -2.2 0 0.0 0 0.0 13 50
160 160 THR T E E CK - 169 0 -135.2 115.2 178.2 -160.5 6.3 166.6 0 0.0 129 -2.5 0 0.0 0 0.0 12 50
161 161 VAL V E E CK - 168 0 -88.2 160.6 -178.8 -153.6 10.7 125.2 168 -0.9 168 -1.3 0 0.0 0 0.0 12 49
162 162 LEU L E E CK + 167 0 -136.3 147.8 177.0 158.6 23.0 168.2 0 0.0 127 -0.9 0 0.0 0 0.0 11 38
163 163 GLN Q E E CK > TS- 166 0 -171.1 116.4 179.5 -6.3 72.8 139.9 166 -1.8 166 -0.9 0 0.0 0 0.0 10 40
164 164 ASN N T T 3 TS- 0 0 61.0 58.1 177.6 -57.4 120.7 20.5 0 0.0 166 -0.9 0 0.0 0 0.0 6 28
165 165 GLN Q T T 3 TS+ 0 0 67.5 -27.2 179.2 96.1 120.0 77.9 0 0.0 0 0.0 0 0.0 0 0.0 5 23
166 166 LYS K E E CK < T - 163 0 -91.7 163.1 -180.0 -174.9 54.4 123.5 164 -0.9 163 -1.8 163 -0.9 0 0.0 9 32
167 167 LYS K E E CK - 162 0 -156.4 156.7 179.3 -144.3 16.2 172.5 0 0.0 0 0.0 0 0.0 0 0.0 10 37
168 168 VAL V E E CK - 161 0 -123.9 146.7 177.2 -129.9 18.0 157.8 161 -1.3 161 -0.9 0 0.0 0 0.0 10 41
169 169 GLU E E E CK - 160 0 -93.6 149.0 179.5 -169.0 18.0 137.6 0 0.0 0 0.0 0 0.0 0 0.0 8 40
170 170 PHE F E E CK - 159 0 -140.4 108.3 -179.8 -164.2 7.6 157.9 159 -2.2 159 -3.1 0 0.0 0 0.0 9 46
171 171 LYS K E E CK + 158 0 -100.9 133.3 178.4 175.9 10.2 150.3 0 0.0 0 0.0 0 0.0 0 0.0 8 39
172 172 ILE I E E CK - 157 0 -136.9 138.5 179.3 -131.1 28.0 172.9 157 -0.7 157 -1.9 0 0.0 174 -0.8 9 42
173 173 ASP D E E CK - 156 0 -93.3 107.0 178.2 -158.6 21.2 145.4 0 0.0 175 -0.6 0 0.0 0 0.0 9 36
174 174 ILE I E E CK - 155 0 -86.7 117.9 -179.5 -157.3 5.6 143.1 155 -3.4 155 -2.4 172 -0.8 176 -0.6 12 47
175 175 VAL V E E Ci - 107 0 -101.1 119.0 -176.9 -158.9 3.2 151.7 106 -2.1 108 -3.4 173 -0.6 177 -0.7 11 35
176 176 VAL V E E Ci - 108 0 -109.0 101.6 178.6 -158.5 1.4 142.1 174 -0.6 0 0.0 0 0.0 0 0.0 14 34
177 177 LEU L E E Ci 109 0 -73.1 130.3 176.7 999.9 999.9 121.1 108 -3.3 110 -2.5 175 -0.7 0 0.0 8 24
178 178 ALA A 0 0 -81.9 999.9 999.9 999.9 999.9 125.3 0 0.0 0 0.0 0 0.0 0 0.0 5 20
1cdy-.pdb
1CDY T-CELL SURFACE GLYCOPROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEEETTS EEE B SSSS EEEEETTS EEEEEETTEEEE S TTGGGEE GGGGGGTB EEE S GGG EEEEEEETTEEEEEEEEEEEE Kabs/Sand
chirality ---+--++-----++--+---+-++-+--+-+-+-+----+-----+-++++++---+++++-++-----+---++++--------+-----------+ chirality
bends SSS SSSS SSS SSSS S SSSSS SSSSSSS S SS S SS bends
turns TTTT TTTT TTTT TTTTTTT TTTTTTTTT TTTTT TTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33< >3>X3<< >>>XX<<< >>3<< >33< 3-turns
bridge-2 DDD EEEE FF GGGGGGG GGGGGGG bridge-2
bridge-1 aaaaaa BBB A CCCCC D*DD EEEE FF A BBB CCCCC aaaaaaHH bridge-1
sheets AAAAAA BBB AAAAA AAAAAA AAAA BB BBB AAAAAAA AAAAAAAAAAAA sheets
4-turns >444< >444< 4-turns
summary EEEEEEeTt EEE B SSSS eEEEEEeTteEEEEEETTEEEEeStTgGGeEE gGGGGGGgB EEEeS gGGGgEEEEEEEeTEEEEEEEEEEEE summary
sequence KKVVLGKKGDTVELTCTASQKKSIQFHWKNSNQIKILGNQGSFLTKSPSKLNDRADSRRSLWDQGNFPLIIKNLKIEDSDTYICEVEDQKEEVQLLVFGL sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EE S SEEETT EEEEEE TT B B TTS B BSSEEEESS STT EEEEEEEEETTEEEEEEEEEEEE Kabs/Sand
chirality -++--++--++----------++++-------+-+---+--+----+---++++-------+--+-----+----- chirality
bends S SS SS SS SSS SS SS SSS S SSS bends
turns TTTT TTTT TTTT TTTT TTTT turns
5-turns 5-turns
3-turns >33< >33< >33< >33< >33< 3-turns
bridge-2 JJJJ D C bridge-2
bridge-1 HH iii HHHH B C D B JJJJ KKKKKKKKK KKKKKKKKKiii bridge-1
sheets AA CCC AAAAAA AAAA CCCCCCCCC CCCCCCCCCCCC sheets
4-turns 4-turns
summary EEeS eEEEeTt EEEEEE tTTt B BtTTt B BSeEEEESS tTTtEEEEEEEEETTEEEEEEEEEEEE summary
sequence TANSDTHLLQGQSLTLTLESPPGSSPSVQCRSPRGKNIQGGKTLSVSQLELQDSGTWTCTVLQNQKKVEFKIDIVVLA sequence
110 120 130 140 150 160 170