==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-DEC-08 3FLD . COMPND 2 MOLECULE: PROTEIN TRAI; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12; . AUTHOR L.M.GUOGAS,S.A.KENNEDY,M.R.REDINBO . 305 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15662.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 23.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 21 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 4 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1476 A R > 0 0 222 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -36.5 -16.4 -1.4 30.4 2 1477 A E H > + 0 0 56 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.864 360.0 48.1 -58.4 -39.0 -13.0 -2.4 31.8 3 1478 A V H > S+ 0 0 44 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.885 109.8 51.8 -70.0 -40.0 -13.2 0.3 34.4 4 1479 A M H > S+ 0 0 135 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.912 112.7 46.4 -62.2 -41.5 -16.8 -0.7 35.4 5 1480 A N H X S+ 0 0 43 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.837 111.1 50.5 -71.4 -33.7 -15.6 -4.3 35.8 6 1481 A A H X S+ 0 0 1 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.940 113.1 47.0 -68.0 -45.1 -12.5 -3.3 37.8 7 1482 A E H X S+ 0 0 67 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.784 110.1 53.4 -66.2 -28.4 -14.7 -1.2 40.1 8 1483 A R H X S+ 0 0 163 -4,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.818 109.5 47.8 -76.1 -30.8 -17.2 -4.0 40.4 9 1484 A L H X S+ 0 0 69 -4,-1.5 4,-0.7 -3,-0.2 -2,-0.2 0.867 110.2 53.3 -74.7 -37.2 -14.4 -6.4 41.5 10 1485 A F H >< S+ 0 0 25 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.920 105.1 54.1 -62.6 -46.2 -13.2 -3.8 44.0 11 1486 A S H 3< S+ 0 0 73 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.902 109.4 46.0 -56.6 -46.7 -16.6 -3.4 45.6 12 1487 A T H 3< S+ 0 0 107 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.624 99.3 97.0 -74.0 -12.1 -17.0 -7.1 46.3 13 1488 A A S << S- 0 0 23 -3,-0.9 2,-0.2 -4,-0.7 28,-0.1 -0.319 73.4-122.8 -78.8 160.6 -13.5 -7.3 47.7 14 1489 A R - 0 0 158 26,-0.1 26,-0.8 1,-0.1 2,-0.1 -0.664 34.0 -99.9 -97.0 154.9 -12.4 -7.2 51.3 15 1490 A E B > -A 39 0A 51 -2,-0.2 3,-1.4 24,-0.2 4,-0.3 -0.487 28.2-121.2 -73.0 148.4 -9.9 -4.6 52.5 16 1491 A L G > S+ 0 0 0 22,-2.7 3,-1.3 1,-0.3 7,-0.6 0.796 110.8 67.1 -59.7 -26.8 -6.3 -5.9 52.9 17 1492 A R G 3 S+ 0 0 85 21,-0.4 -1,-0.3 19,-0.3 6,-0.1 0.792 94.6 54.8 -65.3 -28.7 -6.5 -4.9 56.5 18 1493 A D G < S+ 0 0 85 -3,-1.4 2,-0.4 4,-0.0 -1,-0.3 0.471 105.0 64.1 -84.1 -1.2 -9.2 -7.5 57.3 19 1494 A V S <> S- 0 0 37 -3,-1.3 4,-2.6 -4,-0.3 5,-0.2 -0.972 75.8-133.9-130.5 141.3 -7.0 -10.4 55.9 20 1495 A A H > S+ 0 0 70 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 0.886 109.7 52.4 -52.4 -44.0 -3.7 -11.9 57.0 21 1496 A A H > S+ 0 0 62 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.904 110.8 47.0 -61.0 -43.3 -2.5 -11.8 53.4 22 1497 A G H > S+ 0 0 0 -6,-0.3 4,-2.7 2,-0.2 5,-0.2 0.906 110.3 51.0 -66.9 -42.8 -3.3 -8.2 53.0 23 1498 A R H X S+ 0 0 109 -4,-2.6 4,-2.9 -7,-0.6 -1,-0.2 0.898 109.0 53.1 -61.9 -39.1 -1.7 -7.1 56.3 24 1499 A A H X S+ 0 0 57 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.927 111.8 44.9 -60.3 -45.7 1.4 -9.0 55.2 25 1500 A V H X S+ 0 0 4 -4,-1.9 4,-1.0 2,-0.2 209,-0.4 0.868 114.5 47.7 -68.1 -37.5 1.5 -7.1 51.9 26 1501 A L H X>S+ 0 0 1 -4,-2.7 5,-3.1 1,-0.2 4,-0.5 0.908 111.9 52.4 -67.6 -39.8 0.8 -3.7 53.6 27 1502 A R H ><5S+ 0 0 158 -4,-2.9 3,-0.5 4,-0.3 -2,-0.2 0.821 101.8 58.0 -64.3 -33.9 3.5 -4.6 56.1 28 1503 A Q H 3<5S+ 0 0 49 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.843 111.8 43.1 -64.8 -32.9 6.1 -5.3 53.4 29 1504 A A H 3<5S- 0 0 2 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.501 118.5-111.7 -90.5 -7.1 5.5 -1.8 52.2 30 1505 A G T <<5S+ 0 0 38 -3,-0.5 3,-0.2 -4,-0.5 -3,-0.2 0.651 89.3 110.6 84.3 18.5 5.5 -0.2 55.7 31 1506 A L > < + 0 0 4 -5,-3.1 3,-1.2 -6,-0.2 -4,-0.3 0.399 36.5 98.1-107.1 2.2 1.8 0.6 55.5 32 1507 A A T 3 S+ 0 0 27 -6,-0.5 -1,-0.2 1,-0.3 -5,-0.1 0.682 79.7 63.3 -64.2 -16.9 0.2 -1.8 58.0 33 1508 A G T 3 S+ 0 0 45 -3,-0.2 -1,-0.3 -7,-0.2 2,-0.1 0.768 94.9 70.5 -79.9 -25.6 0.3 1.0 60.5 34 1509 A G S < S- 0 0 1 -3,-1.2 2,-1.7 -4,-0.1 244,-0.1 -0.414 95.5 -98.8 -92.0 168.5 -2.1 3.3 58.6 35 1510 A D B -I 254 0B 53 219,-0.7 219,-3.5 242,-0.5 -3,-0.1 -0.611 52.2-169.4 -85.7 81.6 -5.8 3.0 57.9 36 1511 A S - 0 0 3 -2,-1.7 -19,-0.3 217,-0.2 217,-0.2 -0.505 27.5-165.1 -79.4 138.1 -5.5 1.6 54.4 37 1512 A P + 0 0 23 0, 0.0 -1,-0.1 0, 0.0 216,-0.1 0.255 48.7 133.7-100.0 7.1 -8.4 1.3 52.0 38 1513 A A + 0 0 0 214,-0.3 -22,-2.7 169,-0.1 -21,-0.4 -0.220 31.0 179.7 -61.5 148.8 -6.4 -1.0 49.8 39 1514 A R E -AB 15 206A 55 167,-1.8 167,-2.9 -24,-0.3 2,-0.4 -0.917 27.5-107.5-142.9 167.3 -8.1 -4.2 48.5 40 1515 A F E + B 0 205A 52 -26,-0.8 2,-0.3 -2,-0.3 165,-0.2 -0.826 38.4 164.9-101.4 137.7 -7.2 -7.2 46.3 41 1516 A I E - B 0 204A 9 163,-1.9 163,-2.6 -2,-0.4 -35,-0.1 -0.982 26.6-159.8-146.1 156.0 -8.5 -7.7 42.8 42 1517 A A + 0 0 38 -2,-0.3 -2,-0.0 161,-0.2 163,-0.0 -0.700 22.0 164.1-138.1 80.5 -7.7 -9.9 39.8 43 1518 A P - 0 0 36 0, 0.0 -1,-0.1 0, 0.0 -38,-0.0 0.687 39.6-133.1 -71.6 -24.6 -9.3 -8.2 36.7 44 1519 A G - 0 0 28 158,-0.4 2,-0.1 3,-0.0 153,-0.0 -0.040 38.2 -56.3 84.5 163.1 -7.3 -10.0 34.1 45 1520 A R - 0 0 100 1,-0.1 153,-0.0 2,-0.0 0, 0.0 -0.453 37.7-139.2 -75.9 149.8 -5.6 -8.3 31.1 46 1521 A K S S+ 0 0 116 1,-0.3 -1,-0.1 -2,-0.1 -44,-0.0 0.846 102.0 37.0 -77.2 -34.9 -7.7 -6.2 28.8 47 1522 A Y S S- 0 0 188 3,-0.0 -1,-0.3 -3,-0.0 -3,-0.0 -0.754 90.4-158.0-117.8 81.5 -6.0 -7.5 25.7 48 1523 A P - 0 0 42 0, 0.0 -2,-0.0 0, 0.0 -4,-0.0 -0.147 28.0 -91.8 -59.1 153.4 -5.3 -11.2 26.5 49 1524 A Q - 0 0 65 1,-0.1 148,-0.4 21,-0.0 2,-0.1 -0.440 43.1-117.8 -68.3 133.0 -2.6 -13.1 24.7 50 1525 A P - 0 0 55 0, 0.0 21,-2.5 0, 0.0 2,-0.3 -0.437 28.4-161.4 -74.9 148.0 -3.7 -15.0 21.5 51 1526 A Y E -JK 70 194C 52 143,-3.0 143,-2.0 19,-0.2 2,-0.6 -0.941 19.6-126.2-127.2 148.7 -3.5 -18.8 21.3 52 1527 A V E -JK 69 193C 0 17,-3.0 17,-1.0 -2,-0.3 2,-0.4 -0.854 36.3-164.7 -93.2 125.4 -3.5 -21.2 18.4 53 1528 A A E -JK 68 192C 0 139,-3.2 139,-2.0 -2,-0.6 15,-0.2 -0.921 15.7-175.1-120.6 142.2 -6.2 -23.7 19.0 54 1529 A L E -J 67 0C 0 13,-2.2 13,-2.9 -2,-0.4 2,-0.1 -0.928 34.0-102.7-126.1 151.8 -7.0 -27.1 17.5 55 1530 A P E -J 66 0C 26 0, 0.0 43,-2.7 0, 0.0 2,-0.3 -0.478 32.5-150.6 -78.0 147.2 -10.0 -29.4 18.1 56 1531 A A E -JL 65 97C 2 9,-2.0 8,-2.1 41,-0.2 9,-0.9 -0.846 12.4-172.3-115.8 152.9 -9.7 -32.5 20.4 57 1532 A F E -JL 63 96C 22 39,-2.8 39,-2.2 -2,-0.3 38,-1.4 -0.954 22.2-118.1-141.3 159.7 -11.5 -35.8 20.3 58 1533 A D > - 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