Secondary structure calculation program - copyright by David Keith Smith, 1989
1ap2B.pdb
1AP2 IMMUNOGLOBULIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 120
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 B 1 GLU E 0 0 999.9 -167.5 178.6 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 13
2 B 2 VAL V + 0 0 -106.2 144.1 -177.3 179.6 999.9 146.0 0 0.0 0 0.0 0 0.0 0 0.0 8 29
3 B 3 GLN Q E E AA - 25 0 -148.2 144.6 178.0 -147.2 27.8 177.7 25 -3.0 25 -2.9 0 0.0 5 -0.7 10 33
4 B 4 LEU L E E AA - 24 0 -111.9 98.7 -180.0 -159.8 22.7 152.1 0 0.0 113 -0.7 0 0.0 0 0.0 14 45
5 B 5 GLN Q E E AA - 23 0 -82.8 124.8 -179.0 -164.1 9.7 132.7 23 -2.3 23 -2.5 3 -0.7 0 0.0 10 39
6 B 6 GLN Q E E AA - 22 0 -111.3 152.8 -179.4 -107.3 18.9 141.9 0 0.0 0 0.0 0 0.0 0 0.0 13 43
7 B 7 SER S e - 0 0 -68.4 172.0 -179.8 -82.3 45.9 93.7 21 -1.4 0 0.0 0 0.0 0 0.0 8 35
8 B 8 GLY G - 0 0 -72.3 174.6 -179.4 -71.4 56.3 94.4 0 0.0 0 0.0 0 0.0 0 0.0 6 28
9 B 9 ALA A - 0 0 -62.0 162.5 -179.3 -143.4 47.9 95.8 0 0.0 0 0.0 0 0.0 0 0.0 7 33
10 B 10 GLU E E E Bb - 117 0 -136.1 145.6 177.7 -172.2 18.7 168.3 116 -2.5 118 -2.8 0 0.0 0 0.0 8 35
11 B 11 LEU L E E Bb + 118 0 -136.2 102.1 -178.2 168.8 23.5 152.6 0 0.0 0 0.0 0 0.0 0 0.0 7 31
12 B 12 VAL V e - 0 0 -116.6 156.8 179.9 -115.1 33.1 140.7 118 -1.6 0 0.0 0 0.0 0 0.0 12 30
13 B 13 ARG R t > T - 0 0 -88.4 149.9 -179.8 -82.9 49.9 130.8 0 0.0 16 -2.3 0 0.0 0 0.0 8 23
14 B 14 PRO P T T 3 TS+ 0 0 -52.8 126.9 180.0 25.9 118.1 104.2 0 0.0 0 0.0 0 0.0 0 0.0 10 23
15 B 15 GLY G T T 3 TS+ 0 0 106.4 -22.3 179.9 114.8 94.8 83.9 86 -1.3 85 -0.5 0 0.0 0 0.0 8 25
16 B 16 ALA A t < T - 0 0 -77.0 165.9 179.3 -125.1 60.9 107.0 13 -2.3 86 -1.7 0 0.0 0 0.0 9 26
17 B 17 SER S - 0 0 -104.3 175.2 -179.7 -158.0 21.9 121.7 0 0.0 0 0.0 0 0.0 0 0.0 10 32
18 B 18 VAL V E E A C - 0 83 -160.0 142.8 179.5 -153.6 11.2 167.2 83 -2.0 83 -3.5 0 0.0 0 0.0 9 42
19 B 19 LYS K E E A C - 0 82 -120.0 130.6 179.4 -169.4 12.0 165.5 0 0.0 0 0.0 0 0.0 0 0.0 8 45
20 B 20 LEU L E E A C - 0 81 -117.1 144.1 -179.6 -146.8 11.1 156.8 81 -1.5 81 -2.2 0 0.0 0 0.0 10 55
21 B 21 SER S E E A C - 0 80 -118.1 146.3 178.8 -172.4 14.8 153.3 0 0.0 7 -1.4 0 0.0 0 0.0 10 54
22 B 22 CYS C E E AAC - 6 79 -134.6 90.7 -179.7 -170.8 13.8 143.6 79 -2.4 79 -1.3 0 0.0 0 0.0 13 60
23 B 23 THR T E E AAC - 5 78 -84.1 138.8 -179.9 -138.7 14.3 128.9 5 -2.5 5 -2.3 0 0.0 0 0.0 11 49
24 B 24 ALA A E E AA - 4 0 -102.1 141.0 179.1 -169.4 15.3 143.0 77 -2.2 0 0.0 0 0.0 0 0.0 13 47
25 B 25 SER S E E AA S+ 3 0 -130.1 127.0 179.6 23.7 70.6 173.8 3 -2.9 3 -3.0 0 0.0 0 0.0 9 34
26 B 26 GLY G S S S+ 0 0 100.0 6.8 179.7 44.3 119.5 59.0 0 0.0 0 0.0 0 0.0 0 0.0 7 27
27 B 27 PHE F S S S- 0 0 -176.3 147.9 -179.9 -108.2 82.1 154.8 0 0.0 29 -0.6 0 0.0 0 0.0 6 36
28 B 28 ASN N g > T - 0 0 -88.8 119.0 -179.1 -142.8 21.6 140.3 0 0.0 31 -1.2 0 0.0 0 0.0 10 37
29 B 29 ILE I G G > TS+ 0 0 -53.5 -16.4 -179.9 86.1 90.9 48.5 27 -0.6 32 -1.8 0 0.0 0 0.0 12 49
30 B 30 LYS K G G 3 TS+ 0 0 -69.4 11.3 -179.8 40.5 96.2 70.8 0 0.0 0 0.0 0 0.0 0 0.0 9 38
31 B 31 ASP D G e < TS+ 0 0 -138.2 3.1 179.8 63.7 111.0 73.5 28 -1.2 101 -1.2 0 0.0 102 -0.8 10 39
32 B 32 ASP D E E BD < TS- 100 0 -128.8 158.8 178.4 -119.2 78.3 152.6 29 -1.8 34 -0.5 0 0.0 0 0.0 13 51
33 B 33 PHE F E E BD - 99 0 -100.0 127.2 -178.9 -142.0 26.2 151.1 99 -3.1 99 -1.0 0 0.0 35 -0.7 14 55
34 B 34 MET M E E BDE - 98 51 -96.8 112.2 -179.6 -174.1 22.4 144.5 51 -1.6 51 -0.5 32 -0.5 0 0.0 14 66
35 B 35 HIS H E E BDE - 97 50 -101.7 163.6 180.0 -149.7 13.0 127.2 97 -2.3 97 -1.8 33 -0.7 0 0.0 13 64
36 B 36 TRP W E E BDE - 96 49 -137.0 127.8 -179.5 -173.0 11.4 175.4 49 -1.8 48 -3.0 0 0.0 49 -1.1 13 67
37 B 37 VAL V E E BDE - 95 47 -123.4 141.5 179.8 -148.8 10.6 161.8 95 -2.1 95 -2.0 0 0.0 0 0.0 13 59
38 B 38 LYS K E E BDE - 94 46 -111.6 141.0 179.4 -173.7 11.2 152.4 46 -3.1 46 -1.7 0 0.0 0 0.0 12 54
39 B 39 GLN Q E E BDE - 93 45 -139.4 114.7 179.9 -161.2 6.0 158.3 93 -2.1 93 -3.1 0 0.0 0 0.0 12 34
40 B 40 ARG R e - 0 0 -86.9 162.8 -179.8 -88.8 48.1 116.4 44 -0.6 0 0.0 0 0.0 0 0.0 11 29
41 B 41 PRO P S S S+ 0 0 -41.6 -25.7 178.9 80.5 119.5 41.3 0 0.0 0 0.0 0 0.0 0 0.0 5 24
42 B 42 GLU E S S S- 0 0 -43.4 -84.7 179.1 -126.7 97.8 19.7 0 0.0 0 0.0 0 0.0 0 0.0 5 17
43 B 43 GLN Q + 0 0 159.7 -41.2 -179.7 112.0 68.5 95.0 0 0.0 0 0.0 0 0.0 0 0.0 6 18
44 B 44 GLY G e - 0 0 -60.8 138.9 179.9 -130.5 61.7 107.6 0 0.0 40 -0.6 0 0.0 0 0.0 6 17
45 B 45 LEU L E E BE - 39 0 -90.3 153.2 -180.0 -158.0 17.6 125.9 0 0.0 0 0.0 0 0.0 0 0.0 8 30
46 B 46 GLU E E E BE - 38 0 -137.9 121.9 178.7 -132.8 14.2 164.9 38 -1.7 38 -3.1 0 0.0 0 0.0 7 34
47 B 47 TRP W E E BE - 37 0 -69.5 136.3 -179.9 -179.7 21.5 118.7 0 0.0 0 0.0 0 0.0 0 0.0 9 41
48 B 48 ILE I E E B* - 0 0 -104.0 -43.8 -179.9 -72.7 50.8 38.0 36 -3.0 61 -2.6 0 0.0 0 0.0 13 45
49 B 49 GLY G E E BEF - 36 60 164.5 175.3 179.6 -121.3 37.6 159.5 36 -1.1 36 -1.8 0 0.0 0 0.0 14 47
50 B 50 ARG R E E BEF - 35 59 -134.3 178.2 178.7 -153.6 13.8 140.5 59 -2.3 59 -1.8 0 0.0 0 0.0 12 53
51 B 51 ILE I E E BEF - 34 58 -155.6 154.4 179.7 -133.7 17.2 171.4 34 -0.5 34 -1.6 0 0.0 0 0.0 14 49
52 B 52 ASP D e > T - 0 0 -113.2 95.7 -179.7 -166.2 12.7 151.1 57 -2.1 56 -4.0 0 0.0 0 0.0 12 40
53 B 53 PRO P T T 4 TS+ 0 0 -52.1 -25.6 -179.4 56.1 88.4 39.5 0 0.0 0 0.0 0 0.0 0 0.0 15 44
54 B 54 ALA A T T 4 TS+ 0 0 -73.0 -51.7 -179.5 14.2 126.3 18.6 0 0.0 0 0.0 0 0.0 0 0.0 6 33
55 B 55 ASN N T T 4 TS- 0 0 -95.1 -28.9 -179.7 -126.5 96.8 43.2 0 0.0 0 0.0 0 0.0 0 0.0 5 24
56 B 56 ASP D t < T + 0 0 91.0 10.0 179.8 149.3 56.4 59.8 52 -4.0 0 0.0 0 0.0 0 0.0 8 31
57 B 57 ASN N e - 0 0 -76.7 141.6 -179.3 -159.1 28.3 121.0 0 0.0 52 -2.1 0 0.0 0 0.0 7 29
58 B 58 THR T E E BF - 51 0 -116.6 172.8 178.9 -164.3 15.4 131.5 0 0.0 0 0.0 0 0.0 0 0.0 9 37
59 B 59 LYS K E E BF - 50 0 -160.1 103.4 -179.8 -179.5 15.3 137.7 50 -1.8 50 -2.3 0 0.0 0 0.0 7 36
60 B 60 TYR Y E E BF - 49 0 -104.1 167.9 177.1 -104.5 34.1 125.4 0 0.0 0 0.0 0 0.0 0 0.0 10 33
61 B 61 ALA A e > > T - 0 0 -86.1 138.7 -179.7 -117.0 37.4 136.5 48 -2.6 65 -3.2 0 0.0 64 -2.3 9 26
62 B 62 PRO P T T 4 3 TS+ 0 0 -46.3 -35.1 -179.1 50.1 115.6 35.9 0 0.0 0 0.0 0 0.0 0 0.0 6 18
63 B 63 LYS K T T 4 3 TS+ 0 0 -81.3 -13.5 -179.6 35.2 120.0 49.9 0 0.0 0 0.0 0 0.0 0 0.0 5 23
64 B 64 PHE F T T > X TS+ 0 0 -107.8 -30.9 -178.5 86.7 92.2 43.3 61 -2.3 68 -2.7 0 0.0 67 -2.5 10 35
65 B 65 GLN Q T T < 3 TS+ 0 0 -41.9 -35.1 -179.6 52.6 89.9 41.7 61 -3.2 0 0.0 0 0.0 0 0.0 11 30
66 B 66 ASP D T T 4 3 TS+ 0 0 -94.6 26.8 179.5 29.3 121.5 85.5 0 0.0 0 0.0 0 0.0 0 0.0 6 23
67 B 67 LYS K T e 4 < TS+ 0 0 -148.2 -34.2 -179.7 66.1 108.8 64.2 64 -2.5 84 -1.8 0 0.0 0 0.0 8 39
68 B 68 ALA A E E >T - 78 0 -123.7 93.1 179.8 -178.2 4.0 148.5 78 -3.4 78 -1.9 0 0.0 76 -1.8 9 36
74 B 74 THR T G G >5TS+ 0 0 -55.8 -41.5 -179.7 67.5 81.6 27.9 72 -0.5 77 -1.3 0 0.0 0 0.0 10 31
75 B 75 SER S G G 35TS+ 0 0 -53.0 -22.3 -179.9 27.2 116.2 43.7 0 0.0 0 0.0 0 0.0 0 0.0 5 22
76 B 76 SER S G G <5TS- 0 0 -122.4 4.9 -179.9 -122.5 104.8 71.3 73 -1.8 0 0.0 0 0.0 0 0.0 6 24
77 B 77 ASN N T e <5T + 0 0 54.9 37.6 -178.7 134.0 69.4 31.4 74 -1.3 24 -2.2 0 0.0 0 0.0 11 41
78 B 78 THR T E E ACG T - 0 0 -141.3 172.7 -179.9 -88.8 49.6 149.5 0 0.0 90 -2.3 0 0.0 0 0.0 10 27
88 B 88 SER S G G > TS+ 0 0 -52.8 -40.6 -179.1 64.7 124.2 27.2 0 0.0 91 -2.5 0 0.0 0 0.0 9 30
89 B 89 GLU E G G 3 TS+ 0 0 -58.3 -16.3 -179.5 62.6 93.2 50.1 0 0.0 0 0.0 0 0.0 0 0.0 6 36
90 B 90 ASP D G G < TS+ 0 0 -88.1 -6.7 179.2 114.3 73.0 58.7 87 -2.3 92 -0.6 0 0.0 0 0.0 10 49
91 B 91 THR T g < T + 0 0 -67.7 112.3 -179.7 97.6 51.4 122.1 88 -2.5 0 0.0 0 0.0 0 0.0 12 42
92 B 92 ALA A E E B H S- 0 117 -171.5 -169.7 178.8 -76.3 75.1 161.1 117 -1.9 117 -3.3 90 -0.6 0 0.0 12 43
93 B 93 VAL V E E BDH - 39 116 -112.3 128.1 -179.7 -155.8 37.6 162.5 39 -3.1 39 -2.1 0 0.0 95 -0.6 11 47
94 B 94 TYR Y E E BDH - 38 115 -112.2 114.5 179.3 -171.7 10.4 156.7 115 -2.4 115 -2.4 0 0.0 0 0.0 12 59
95 B 95 TYR Y E E BD - 37 0 -98.8 158.0 177.6 -148.3 10.9 129.7 37 -2.0 37 -2.1 93 -0.6 0 0.0 12 58
96 B 96 CYS C E E BD + 36 0 -126.5 134.6 -179.8 179.0 19.8 171.9 0 0.0 112 -3.1 0 0.0 0 0.0 15 64
97 B 97 ALA A E E BDA - 35 111 -130.8 170.0 -179.6 -141.4 13.7 146.6 35 -1.8 35 -2.3 0 0.0 0 0.0 14 60
98 B 98 ARG R E E BD - 34 0 -132.3 161.3 178.5 -165.9 6.8 154.3 110 -1.4 0 0.0 0 0.0 0 0.0 12 58
99 B 99 ARG R E E BD - 33 0 -149.1 125.1 179.6 -127.0 24.9 162.4 33 -1.0 33 -3.1 0 0.0 101 -0.5 12 45
100 B 100 GLU E E E BD - 32 0 -74.6 120.0 180.0 -176.3 23.0 128.5 0 0.0 0 0.0 0 0.0 0 0.0 9 34
101 B 101 VAL V e + 0 0 -85.9 -34.3 179.3 78.6 68.8 35.5 31 -1.2 103 -2.5 99 -0.5 0 0.0 10 30
102 B 102 TYR Y S S S+ 0 0 -75.1 71.3 -179.9 67.9 88.9 116.2 31 -0.8 0 0.0 0 0.0 0 0.0 6 22
103 B 103 SER S S S S- 0 0 178.7 150.2 180.0 -103.1 91.2 151.6 101 -2.5 0 0.0 0 0.0 0 0.0 6 15
104 B 104 TYR Y S S S- 0 0 -46.3 -64.8 178.1 -14.4 100.6 18.3 0 0.0 0 0.0 0 0.0 0 0.0 5 11
105 B 105 TYR Y + 0 0 -147.1 142.5 179.3 163.8 63.0 175.7 0 0.0 0 0.0 0 0.0 0 0.0 5 14
106 B 106 SER S - 0 0 -159.9 118.2 -179.8 -141.6 23.9 148.4 0 0.0 0 0.0 0 0.0 0 0.0 9 19
107 B 107 PRO P - 0 0 -72.7 178.0 179.2 -80.4 43.1 93.1 0 0.0 109 -2.0 0 0.0 0 0.0 5 20
108 B 108 LEU L S S S+ 0 0 -82.0 78.7 -178.2 152.6 70.6 125.6 0 0.0 0 0.0 0 0.0 0 0.0 8 35
109 B 109 ASP D + 0 0 -74.8 -65.6 -179.2 52.1 48.3 11.3 107 -2.0 0 0.0 0 0.0 0 0.0 8 29
110 B 110 VAL V - 0 0 -80.7 139.7 179.6 -177.2 66.9 125.2 0 0.0 98 -1.4 0 0.0 0 0.0 9 35
111 B 111 TRP W B B A - 97 0 -134.2 155.9 178.2 -112.6 26.0 160.3 0 0.0 0 0.0 0 0.0 0 0.0 11 45
112 B 112 GLY G - 0 0 -78.9 169.0 -179.1 -106.7 37.0 110.2 96 -3.1 0 0.0 0 0.0 0 0.0 12 46
113 B 113 ALA A - 0 0 -70.7 -17.2 -179.5 -115.9 60.4 48.3 4 -0.7 0 0.0 0 0.0 0 0.0 9 35
114 B 114 GLY G - 0 0 86.5 127.1 178.9 -125.7 17.6 58.4 0 0.0 116 -0.5 0 0.0 0 0.0 9 46
115 B 115 THR T E E B H - 0 94 -110.4 125.3 -179.9 -132.3 21.9 159.0 94 -2.4 94 -2.4 0 0.0 0 0.0 13 42
116 B 116 THR T E E B H - 0 93 -77.0 136.9 180.0 -164.6 17.3 123.3 114 -0.5 10 -2.5 0 0.0 0 0.0 11 43
117 B 117 VAL V E E BbH - 10 92 -127.5 111.7 179.1 -178.4 7.0 164.1 92 -3.3 92 -1.9 0 0.0 0 0.0 13 46
118 B 118 THR T E E Bb + 11 0 -111.3 130.3 -179.3 170.5 6.7 159.2 10 -2.8 12 -1.6 0 0.0 0 0.0 11 35
119 B 119 VAL V 0 0 -102.6 -70.8 -179.8 999.9 999.9 32.8 0 0.0 0 0.0 0 0.0 0 0.0 12 30
120 B 120 PRO P 0 0 -28.8 999.9 999.9 999.9 999.9 87.1 0 0.0 0 0.0 0 0.0 0 0.0 8 24
1ap2B.pdb
1AP2 IMMUNOGLOBULIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEE EE TT EEEEEEEESS GGGEEEEEEEE SS EEEEEEE TTT EEE TTTTTTEEEEEEGGGTEEEEEE S GGG EEEEEEEEE Kabs/Sand
chirality +--------+--++---------++--+++---------+-+---------++-+-----++++++------++-+------+-+-++++----+---- chirality
bends SS SSS SSSS SS SSS SSSSSS SSS S SSS S bends
turns TTTT TTTTT TTTTT TTTTTTTT TTTTTT TTTTT turns
5-turns >5555< 5-turns
3-turns >33< >>3<< >33X33< >>3<< >>3<< 3-turns
bridge-2 CCCCCC EEEEEE FFF GGGGGG HHH A bridge-2
bridge-1 AAAA bb AAAA DDDDDDDD EEE*EEE FFF GGGGGG CCCCCC DDDDDDDD bridge-1
sheets AAAA BB AAAAAAAA BBBBBBBB BBBBBBB BBB AAAAAA AAAAAA BBBBBBBBB sheets
4-turns >444< >44><44< 4-turns
summary EEEEe EEetTTt EEEEEEEESSgGGeEEEEEEEEeSS eEEEEEEEeTTTteEEEeTTTTTeEEEEEEGGGeEEEEEEeS gGGGgEEEEEEEEE summary
sequence EVQLQQSGAELVRPGASVKLSCTASGFNIKDDFMHWVKQRPEQGLEWIGRIDPANDNTKYAPKFQDKATIIADTSSNTAYLQLSSLTSEDTAVYYCARRE sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand SSS S B EEEE Kabs/Sand
chirality ++--+--++--------+ chirality
bends SSS S bends
turns turns
5-turns 5-turns
3-turns 3-turns
bridge-2 HHH bridge-2
bridge-1 A bb bridge-1
sheets BBBB sheets
4-turns 4-turns
summary eSSS S B EEEE summary
sequence VYSYYSPLDVWGAGTTVTVP sequence
110 120