Secondary structure calculation program - copyright by David Keith Smith, 1989
1tpg-.pdb
1TPG PLASMINOGEN ACTIVATION MOL_ID: 1; MOL_ID: 1;
Sequence length - 91
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 SER S 0 0 999.9 -61.6 180.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 6
2 2 TYR Y - 0 0 -71.1 -175.4 -179.2 -132.1 999.9 90.8 0 0.0 0 0.0 0 0.0 0 0.0 3 10
3 3 GLN Q + 0 0 -147.8 124.5 -179.8 153.8 35.0 161.4 0 0.0 0 0.0 0 0.0 0 0.0 6 17
4 4 VAL V + 0 0 -150.8 88.7 -176.4 161.3 22.1 134.6 0 0.0 0 0.0 0 0.0 0 0.0 8 22
5 5 ILE I + 0 0 -111.2 172.7 179.0 67.1 29.0 129.0 0 0.0 0 0.0 0 0.0 0 0.0 10 26
6 6 CYS C + 0 0 83.0 97.8 178.0 174.5 46.9 29.2 0 0.0 15 -1.5 0 0.0 0 0.0 12 32
7 7 ARG R B B A - 14 0 -119.9 172.1 -179.1 -134.4 19.4 134.4 0 0.0 0 0.0 0 0.0 0 0.0 8 30
8 8 ASP D + 0 0 -136.9 144.2 179.5 172.5 26.1 171.3 13 -0.8 0 0.0 0 0.0 0 0.0 9 30
9 9 GLU E S S S+ 0 0 -116.0 -32.2 179.5 56.8 82.1 48.2 0 0.0 0 0.0 0 0.0 0 0.0 6 15
10 10 LYS K S S S+ 0 0 -65.1 -55.5 179.3 24.9 124.4 9.2 0 0.0 0 0.0 0 0.0 0 0.0 4 23
11 11 THR T S S S- 0 0 -81.0 -19.3 -179.9 -131.4 105.9 44.7 0 0.0 0 0.0 0 0.0 0 0.0 5 34
12 12 GLN Q + 0 0 68.8 51.2 179.5 122.4 63.4 15.2 0 0.0 0 0.0 0 0.0 0 0.0 6 24
13 13 MET M - 0 0 -144.4 145.2 -179.4 -134.1 54.0 177.5 0 0.0 8 -0.8 0 0.0 0 0.0 7 27
14 14 ILE I B B A - 7 0 -99.4 153.0 179.0 -163.9 14.6 135.1 0 0.0 0 0.0 0 0.0 0 0.0 7 25
15 15 TYR Y - 0 0 -137.1 130.1 -178.3 -146.9 8.8 174.4 6 -1.5 0 0.0 0 0.0 0 0.0 13 30
16 16 GLN Q - 0 0 -85.3 -171.5 -178.7 -40.5 51.1 96.1 0 0.0 0 0.0 0 0.0 0 0.0 10 25
17 17 GLN Q S S S+ 0 0 -50.0 143.1 178.8 7.4 126.4 97.0 0 0.0 0 0.0 0 0.0 0 0.0 11 25
18 18 HIS H S S S+ 0 0 47.1 59.2 178.2 137.1 97.3 20.2 0 0.0 0 0.0 0 0.0 0 0.0 8 25
19 19 GLN Q e - 0 0 -119.9 -176.7 -179.9 -147.4 38.2 126.7 0 0.0 36 -1.0 0 0.0 0 0.0 10 29
20 20 SER S E E AA + 35 0 -154.9 150.9 179.5 161.3 18.9 176.2 0 0.0 0 0.0 0 0.0 0 0.0 9 39
21 21 TRP W E E AA - 34 0 -156.5 178.3 -179.1 -99.3 35.8 157.3 34 -1.7 34 -1.5 0 0.0 0 0.0 9 46
22 22 LEU L E E AA - 33 0 -113.5 145.4 179.1 -166.9 18.0 151.4 0 0.0 0 0.0 0 0.0 0 0.0 11 50
23 23 ARG R E E AA - 32 0 -130.0 84.7 -178.5 -148.6 20.0 139.1 32 -2.0 32 -1.1 0 0.0 0 0.0 8 46
24 24 PRO P E E AA - 31 0 -52.5 144.8 -179.7 -126.5 16.0 97.7 0 0.0 0 0.0 0 0.0 0 0.0 7 41
25 25 VAL V e - 0 0 -82.1 -170.3 -178.8 -119.6 16.4 92.8 30 -1.7 0 0.0 0 0.0 0 0.0 9 29
26 26 LEU L S S S- 0 0 -100.5 -91.3 -177.1 -15.4 81.5 40.1 0 0.0 0 0.0 0 0.0 0 0.0 5 18
27 27 ARG R S S S+ 0 0 -89.6 -28.7 -178.7 79.8 116.9 38.6 0 0.0 0 0.0 0 0.0 0 0.0 4 12
28 28 SER S S S S- 0 0 -40.8 -80.5 179.8 -126.6 91.8 22.4 0 0.0 0 0.0 0 0.0 0 0.0 5 15
29 29 ASN N S S S+ 0 0 148.8 -18.8 -178.1 86.9 73.4 83.6 0 0.0 0 0.0 0 0.0 0 0.0 8 23
30 30 ARG R e - 0 0 -97.6 -175.2 178.7 -144.9 59.0 109.8 0 0.0 25 -1.7 0 0.0 0 0.0 10 30
31 31 VAL V E E AAB - 24 46 -141.2 170.7 -179.9 -117.5 15.1 152.8 46 -1.7 46 -1.8 0 0.0 0 0.0 13 40
32 32 GLU E E E AAB - 23 45 -117.4 146.6 179.0 -136.8 11.5 154.4 23 -1.1 23 -2.0 0 0.0 34 -1.0 12 40
33 33 TYR Y E E AA - 22 0 -99.6 95.9 -177.5 -166.4 23.3 142.3 44 -1.5 35 -1.0 0 0.0 0 0.0 13 40
34 34 CYS C E E AA + 21 0 -88.4 103.9 178.6 179.0 8.9 134.2 21 -1.5 21 -1.7 32 -1.0 36 -0.7 12 42
35 35 TRP W E E AAB - 20 42 -106.2 109.4 -178.7 -120.9 31.9 150.8 42 -1.6 42 -1.6 33 -1.0 0 0.0 11 36
36 36 CYS C e + 0 0 -44.8 143.1 178.6 179.1 31.9 93.9 19 -1.0 0 0.0 34 -0.7 0 0.0 16 29
37 37 ASN N S S S- 0 0 -149.9 73.0 -179.6 -46.3 72.5 119.7 0 0.0 0 0.0 0 0.0 0 0.0 10 23
38 38 SER S S S S- 0 0 69.0 31.6 179.8 -47.5 117.5 31.6 0 0.0 0 0.0 0 0.0 0 0.0 10 22
39 39 GLY G S S S+ 0 0 82.6 17.5 -179.9 110.2 119.9 45.7 0 0.0 0 0.0 0 0.0 0 0.0 7 24
40 40 ARG R - 0 0 -95.3 -26.9 -179.0 -146.5 66.9 41.3 0 0.0 0 0.0 0 0.0 0 0.0 6 25
41 41 ALA A - 0 0 58.8 95.6 -179.1 -144.0 5.3 24.5 0 0.0 43 -1.3 0 0.0 0 0.0 10 28
42 42 GLN Q B B B + 35 0 -93.0 85.3 -179.7 161.2 35.7 132.1 35 -1.6 35 -1.6 0 0.0 0 0.0 9 28
43 43 CYS C + 0 0 -101.7 170.0 179.5 165.8 10.5 124.4 41 -1.3 0 0.0 0 0.0 0 0.0 8 31
44 44 HIS H e - 0 0 -178.4 140.0 -177.8 -93.5 40.5 148.9 0 0.0 33 -1.5 0 0.0 0 0.0 8 29
45 45 SER S E E AB + 32 0 -63.8 148.0 178.6 174.1 42.9 107.0 0 0.0 0 0.0 0 0.0 0 0.0 8 30
46 46 VAL V E E AB - 31 0 -153.8 141.1 179.9 -102.9 36.1 168.1 31 -1.8 31 -1.7 0 0.0 0 0.0 10 32
47 47 PRO P e - 0 0 -62.8 148.3 -179.7 -172.0 44.5 106.3 0 0.0 66 -1.7 0 0.0 0 0.0 9 30
48 48 VAL V E E BC - 65 0 -138.1 172.7 179.7 -172.7 12.9 151.2 0 0.0 0 0.0 0 0.0 0 0.0 11 34
49 49 LYS K E E BC - 64 0 -150.3 -173.4 179.9 -67.6 41.2 147.2 64 -2.0 64 -1.6 0 0.0 0 0.0 8 34
50 50 SER S E E BC - 63 0 -87.3 140.6 -179.9 -103.6 57.4 131.7 0 0.0 0 0.0 0 0.0 0 0.0 7 30
51 51 CYS C e - 0 0 -52.2 168.2 179.5 -108.9 32.4 90.3 62 -1.2 0 0.0 0 0.0 0 0.0 10 32
52 52 SER S S S S+ 0 0 -70.8 -35.5 179.2 18.6 104.5 27.2 0 0.0 0 0.0 0 0.0 0 0.0 4 22
53 53 GLU E S S S- 0 0 -136.4 142.3 -179.4 -103.8 92.1 174.1 0 0.0 55 -1.3 0 0.0 0 0.0 5 23
54 54 PRO P + 0 0 -65.7 95.4 179.7 176.9 38.3 117.5 0 0.0 0 0.0 0 0.0 0 0.0 9 26
55 55 ARG R + 0 0 -72.3 -26.2 179.5 73.7 64.1 35.9 53 -1.3 0 0.0 0 0.0 0 0.0 10 29
56 56 CYS C S S S- 0 0 -89.1 132.4 -179.7 -171.4 70.2 136.7 0 0.0 0 0.0 0 0.0 0 0.0 14 31
57 57 PHE F t > T + 0 0 -112.4 -174.8 179.5 53.4 57.6 120.5 0 0.0 60 -1.7 0 0.0 0 0.0 11 28
58 58 ASN N T T 3 TS- 0 0 62.8 19.1 178.7 -43.2 139.6 44.5 0 0.0 0 0.0 0 0.0 0 0.0 9 28
59 59 GLY G T T 3 TS+ 0 0 114.4 -22.0 -179.6 132.4 105.0 82.2 0 0.0 0 0.0 0 0.0 0 0.0 8 26
60 60 GLY G t < T - 0 0 -57.1 165.1 179.7 -144.4 44.9 95.3 57 -1.7 0 0.0 0 0.0 0 0.0 13 31
61 61 THR T E E B D - 0 74 -138.5 129.7 -179.2 -138.9 3.3 171.7 74 -0.7 74 -1.9 0 0.0 0 0.0 11 33
62 62 CYS C E E B D - 0 73 -88.2 145.5 178.5 -172.1 16.7 129.2 0 0.0 51 -1.2 0 0.0 0 0.0 14 35
63 63 GLN Q E E BCD - 50 72 -136.4 131.2 -178.8 -167.3 1.9 175.7 72 -1.9 72 -1.9 0 0.0 0 0.0 11 42
64 64 GLN Q E E BCD - 49 71 -122.2 142.8 -179.8 -110.5 25.9 160.5 49 -1.6 49 -2.0 0 0.0 0 0.0 12 36
65 65 ALA A E E BC - 48 0 -65.7 156.8 -178.7 -127.4 22.8 103.8 70 -2.1 0 0.0 0 0.0 0 0.0 12 35
66 66 LEU L S e S+ 0 0 -76.4 -31.5 -175.3 25.3 100.9 39.1 47 -1.7 0 0.0 0 0.0 0 0.0 9 26
67 67 TYR Y S S S+ 0 0 -107.8 -33.6 179.9 42.0 120.8 39.2 0 0.0 0 0.0 0 0.0 0 0.0 4 23
68 68 PHE F S S S- 0 0 -101.3 -169.6 179.2 -118.2 79.1 108.8 0 0.0 0 0.0 0 0.0 0 0.0 5 29
69 69 SER S S S S+ 0 0 -112.4 9.5 179.7 124.1 70.1 75.2 0 0.0 0 0.0 0 0.0 0 0.0 7 28
70 70 ASP D e - 0 0 -71.8 136.3 -179.4 -178.3 38.7 120.3 0 0.0 65 -2.1 0 0.0 0 0.0 8 35
71 71 PHE F E E BD - 64 0 -138.8 147.5 178.9 -150.1 18.2 172.6 0 0.0 0 0.0 0 0.0 0 0.0 10 41
72 72 VAL V E E BD - 63 0 -114.0 150.9 -178.8 -144.2 12.0 147.7 63 -1.9 63 -1.9 0 0.0 74 -0.5 8 49
73 73 CYS C E E BD - 62 0 -120.6 122.8 178.7 -162.7 9.0 161.5 0 0.0 0 0.0 0 0.0 0 0.0 11 44
74 74 GLN Q E E BD + 61 0 -97.0 152.4 -179.2 165.5 15.7 133.4 61 -1.9 61 -0.7 72 -0.5 0 0.0 8 41
75 75 CYS C - 0 0 -170.9 85.5 178.8 -175.8 9.2 111.2 0 0.0 0 0.0 0 0.0 0 0.0 14 31
76 76 PRO P t > T + 0 0 -64.5 -161.3 179.8 77.0 56.6 73.9 0 0.0 78 -1.3 0 0.0 79 -0.6 7 30
77 77 GLU E T T 3 TS- 0 0 87.3 -54.6 179.7 -104.0 100.8 111.5 0 0.0 0 0.0 0 0.0 0 0.0 6 24
78 78 GLY G T T 3 TS+ 0 0 114.1 4.4 179.8 132.4 77.0 62.8 76 -1.3 0 0.0 0 0.0 0 0.0 6 26
79 79 PHE F t < T - 0 0 -65.2 -148.7 -179.3 -113.9 51.4 68.8 76 -0.6 0 0.0 0 0.0 0 0.0 11 24
80 80 ALA A B B C + 86 0 -151.4 160.0 179.6 53.6 61.9 172.2 86 -1.4 86 -1.8 0 0.0 0 0.0 10 27
81 81 GLY G S S S- 0 0 97.5 157.3 179.6 -83.2 86.3 93.4 0 0.0 0 0.0 0 0.0 0 0.0 7 29
82 82 LYS K S S S+ 0 0 -63.6 -44.3 179.2 35.9 136.4 18.7 0 0.0 0 0.0 0 0.0 0 0.0 9 31
83 83 SER S S S S- 0 0 -86.3 -0.7 179.7 -126.3 109.4 60.5 0 0.0 0 0.0 0 0.0 0 0.0 11 29
84 84 CYS C + 0 0 63.4 23.0 180.0 143.8 63.3 37.6 0 0.0 0 0.0 0 0.0 0 0.0 13 28
85 85 GLU E + 0 0 -69.8 -11.9 -179.8 80.5 50.4 47.8 0 0.0 87 -0.9 0 0.0 0 0.0 10 26
86 86 ILE I B B C - 80 0 -98.7 102.1 179.1 -179.8 62.6 140.7 80 -1.8 80 -1.4 0 0.0 88 -0.5 7 21
87 87 ASP D + 0 0 -101.9 128.7 179.8 158.8 16.9 148.2 85 -0.9 0 0.0 0 0.0 0 0.0 9 21
88 88 THR T S S S+ 0 0 -118.5 -23.5 179.7 58.1 71.5 53.1 86 -0.5 0 0.0 0 0.0 0 0.0 7 15
89 89 ARG R S S S+ 0 0 -72.9 -52.9 179.7 43.4 109.3 14.5 0 0.0 0 0.0 0 0.0 0 0.0 6 14
90 90 ALA A 0 0 -90.8 155.9 -179.5 999.9 999.9 125.5 0 0.0 0 0.0 0 0.0 0 0.0 4 14
91 91 THR T 0 0 -50.9 999.9 999.9 999.9 999.9 26.0 0 0.0 0 0.0 0 0.0 0 0.0 4 12
1tpg-.pdb
1TPG PLASMINOGEN ACTIVATION MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand B SSS B SS EEEEE SSSS EEEEE SSS B EE EEE SS S TT EEEEESSSS EEEE TT BSSS B SS Kabs/Sand
chirality -++++-+++-+----++-+------+-+----+-+--+--++-+------+-++-+-+------++-+----+-+-+-+-+-++-+++ chirality
bends SSS SS SSSS SSS SS S SS SSSS SS SSS SS bends
turns TTTT TTTT turns
5-turns 5-turns
3-turns >33< >33< 3-turns
bridge-2 BB B DDDD bridge-2
bridge-1 A A AAAAA AAAAA B BB CCC CCC DDDD C C bridge-1
sheets AAAAA AAAAA AA BBB BBBBB BBBB sheets
4-turns 4-turns
summary B SSS B SSeEEEEEeSSSSeEEEEEeSSS B eEEeEEEeSS StTTtEEEEEeSSSeEEEE tTTtBSSS B SS summary
sequence SYQVICRDEKTQMIYQQHQSWLRPVLRSNRVEYCWCNSGRAQCHSVPVKSCSEPRCFNGGTCQQALYFSDFVCQCPEGFAGKSCEIDTRAT sequence
10 20 30 40 50 60 70 80 90