Secondary structure calculation program - copyright by David Keith Smith, 1989
1cf4B.pdb
1CF4 TRANSFERASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 44
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 502 GLY G 0 0 999.9 171.3 -180.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 13
2 B 503 SER S - 0 0 -64.1 -78.8 -179.9 -166.5 999.9 5.6 0 0.0 0 0.0 0 0.0 0 0.0 7 13
3 B 504 GLY G + 0 0 87.8 109.7 -179.3 149.5 26.6 45.1 9 -0.5 0 0.0 0 0.0 0 0.0 9 12
4 B 505 LEU L S S S- 0 0 -167.2 55.1 -179.8 -71.2 76.8 97.6 0 0.0 0 0.0 0 0.0 0 0.0 7 11
5 B 506 SER S S S S+ 0 0 48.5 66.4 -179.3 97.3 108.7 15.4 0 0.0 0 0.0 0 0.0 0 0.0 5 10
6 B 507 ALA A S t > TS- 0 0 -175.5 53.4 -178.7 -63.7 115.1 92.5 0 0.0 9 -1.1 0 0.0 0 0.0 6 10
7 B 508 GLN Q T T 3 TS- 0 0 68.9 5.3 -179.4 -93.2 81.1 55.4 0 0.0 0 0.0 0 0.0 0 0.0 6 10
8 B 509 ASP D T T 3 TS+ 0 0 51.5 47.1 179.4 173.8 70.4 25.3 0 0.0 0 0.0 0 0.0 0 0.0 9 12
9 B 510 ILE I t < T - 0 0 -87.5 138.3 -179.6 -116.3 34.3 131.6 6 -1.1 3 -0.5 0 0.0 0 0.0 9 13
10 B 511 SER S - 0 0 -78.3 122.2 179.3 -124.8 30.5 129.0 0 0.0 0 0.0 0 0.0 0 0.0 8 15
11 B 512 GLN Q - 0 0 -50.6 179.6 179.6 -35.7 68.4 80.9 0 0.0 13 -0.6 0 0.0 0 0.0 5 15
12 B 513 PRO P S S S- 0 0 -46.1 92.6 -179.0 -159.0 81.4 100.2 0 0.0 0 0.0 0 0.0 0 0.0 5 14
13 B 514 LEU L - 0 0 -62.8 -168.3 -180.0 -77.8 21.9 77.5 11 -0.6 0 0.0 0 0.0 0 0.0 6 13
14 B 515 GLN Q S S S+ 0 0 -89.0 178.6 -179.7 49.6 106.0 105.5 0 0.0 0 0.0 0 0.0 0 0.0 5 12
15 B 516 ASN N S S S+ 0 0 66.6 11.2 179.9 125.4 75.5 52.0 0 0.0 17 -0.9 0 0.0 0 0.0 4 9
16 B 517 SER S + 0 0 -100.9 65.5 179.8 93.7 39.9 121.9 0 0.0 0 0.0 0 0.0 0 0.0 6 10
17 B 518 PHE F + 0 0 -158.1 91.9 -179.6 146.6 25.6 129.7 15 -0.9 0 0.0 0 0.0 0 0.0 5 9
18 B 519 ILE I - 0 0 -100.5 -19.0 -179.7 -123.8 56.4 51.6 0 0.0 0 0.0 0 0.0 0 0.0 4 10
19 B 520 HIS H + 0 0 72.9 103.1 180.0 167.5 41.0 29.6 0 0.0 0 0.0 0 0.0 0 0.0 4 10
20 B 521 THR T + 0 0 -143.9 57.6 179.9 91.5 40.2 110.7 0 0.0 0 0.0 0 0.0 0 0.0 4 8
21 B 522 GLY G - 0 0 -149.5 159.9 -180.0 -154.6 49.7 168.5 0 0.0 0 0.0 0 0.0 0 0.0 4 8
22 B 523 HIS H + 0 0 -98.7 -91.3 179.9 104.3 53.6 39.4 0 0.0 0 0.0 0 0.0 0 0.0 4 9
23 B 524 GLY G + 0 0 45.5 -132.0 179.9 163.6 32.0 97.1 0 0.0 0 0.0 0 0.0 0 0.0 4 13
24 B 525 ASP D - 0 0 82.1 79.2 179.6 -178.0 10.9 17.9 0 0.0 26 -0.7 0 0.0 0 0.0 4 14
25 B 526 SER S - 0 0 -113.8 99.4 -179.7 -132.2 23.6 151.3 0 0.0 0 0.0 0 0.0 0 0.0 5 14
26 B 527 ASP D - 0 0 -40.1 163.6 179.6 -56.1 52.8 80.9 24 -0.7 0 0.0 0 0.0 0 0.0 4 11
27 B 528 PRO P + 0 0 -51.1 112.0 -179.4 161.4 66.4 105.2 0 0.0 0 0.0 0 0.0 0 0.0 5 12
28 B 529 ARG R S S S- 0 0 -100.7 -54.1 180.0 -16.1 78.6 32.1 0 0.0 0 0.0 0 0.0 0 0.0 6 14
29 B 530 HIS H S S S- 0 0 -137.7 10.3 179.9 -151.0 83.8 77.1 0 0.0 0 0.0 0 0.0 0 0.0 5 17
30 B 531 CYS C - 0 0 45.0 -161.0 180.0 -71.1 37.6 86.2 0 0.0 0 0.0 0 0.0 0 0.0 5 16
31 B 532 TRP W + 0 0 -132.3 92.3 -179.9 143.8 66.0 143.9 0 0.0 0 0.0 0 0.0 0 0.0 5 15
32 B 533 GLY G + 0 0 -92.8 -48.9 -179.9 39.7 67.8 27.6 0 0.0 0 0.0 0 0.0 0 0.0 4 12
33 B 534 PHE F S S S- 0 0 -106.9 140.2 179.9 -121.9 83.5 148.2 0 0.0 0 0.0 0 0.0 0 0.0 4 10
34 B 535 PRO P S S S+ 0 0 -56.2 -158.2 179.9 95.3 71.9 66.8 0 0.0 0 0.0 0 0.0 0 0.0 5 12
35 B 536 ASP D - 0 0 69.2 61.4 179.9 -142.0 69.0 9.5 0 0.0 0 0.0 0 0.0 0 0.0 4 15
36 B 537 ARG R - 0 0 -48.7 159.6 179.6 -94.0 24.2 89.5 0 0.0 0 0.0 0 0.0 0 0.0 5 15
37 B 538 ILE I - 0 0 -81.7 141.3 -179.6 -92.5 49.0 125.5 0 0.0 0 0.0 0 0.0 0 0.0 8 16
38 B 539 ASP D t > > T - 0 0 -45.5 161.2 -179.9 -100.3 41.1 86.3 0 0.0 42 -2.9 0 0.0 41 -1.7 6 10
39 B 540 GLU E T T 4 3 TS+ 0 0 -61.6 -14.9 179.7 74.6 119.1 48.6 0 0.0 0 0.0 0 0.0 0 0.0 5 9
40 B 541 LEU L T T 4 3 TS+ 0 0 -66.2 -32.8 -179.7 16.0 116.7 32.7 0 0.0 0 0.0 0 0.0 0 0.0 5 9
41 B 542 TYR Y T T 4 < TS+ 0 0 -104.9 -50.8 -179.7 172.7 76.4 36.7 38 -1.7 43 -2.8 0 0.0 0 0.0 7 13
42 B 543 LEU L t < T + 0 0 72.4 -68.0 179.9 33.9 67.9 112.5 38 -2.9 0 0.0 0 0.0 0 0.0 8 18
43 B 544 GLY G 0 0 -117.4 164.0 180.0 999.9 999.9 140.0 41 -2.8 0 0.0 0 0.0 0 0.0 4 22
44 B 545 ASN N 0 0 -65.2 999.9 999.9 999.9 999.9 102.2 0 0.0 0 0.0 0 0.0 0 0.0 5 21
1cf4B.pdb
1CF4 TRANSFERASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SSSTT S SS SS SS TTT Kabs/Sand
chirality -+-+--+-----++++-++-++---+---++-+----++++ chirality
bends SSSSS S SS SS SS SSS bends
turns TTTT TTTTT turns
5-turns 5-turns
3-turns >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >444< 4-turns
summary SStTTt S SS SS SS tTTTt summary
sequence GSGLSAQDISQPLQNSFIHTGHGDSDPRHCWGFPDRIDELYLGN sequence
10 20 30 40