==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-DEC-08 2W5E . COMPND 2 MOLECULE: PUTATIVE SERINE PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN ASTROVIRUS 1; . AUTHOR S.SPERONI,J.ROHAYEM,S.NENCI,D.BONIVENTO,I.ROBEL,J.BARTHEL, . 972 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39874.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 628 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 416 42.8 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 . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 35 3.6 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 . 85 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 1.2 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+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 6 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 RESIDUES PER ALPHA HELIX . 6 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 12 22 5 15 15 0 6 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 . 0 0 0 0 0 6 0 0 0 0 0 0 0 0 3 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 -7 A K 0 0 203 0, 0.0 2,-0.3 0, 0.0 210,-0.0 0.000 360.0 360.0 360.0 128.6 83.3 15.3 15.3 2 -6 A H - 0 0 37 2,-0.0 2,-1.2 176,-0.0 262,-0.2 -0.957 360.0-107.3-138.3 154.1 82.1 14.3 11.8 3 -5 A H + 0 0 32 260,-2.9 2,-1.0 -2,-0.3 262,-0.2 -0.726 36.7 179.6 -83.6 96.5 83.5 13.4 8.4 4 -4 A H - 0 0 19 -2,-1.2 2,-0.1 260,-0.1 -1,-0.1 -0.767 16.0-178.9-100.1 86.2 82.7 16.5 6.4 5 -3 A H - 0 0 13 -2,-1.0 2,-0.3 87,-0.1 130,-0.2 -0.383 10.1-143.7 -92.5 167.4 84.2 15.5 3.0 6 -2 A H + 0 0 40 128,-3.0 3,-0.1 1,-0.2 -1,-0.0 -0.816 61.7 27.4-134.4 163.0 84.4 17.4 -0.3 7 -1 A H + 0 0 123 -2,-0.3 2,-0.6 1,-0.2 -1,-0.2 0.889 63.8 176.6 51.7 47.7 84.3 17.2 -4.1 8 432 A I - 0 0 25 -3,-0.2 -1,-0.2 163,-0.1 3,-0.1 -0.752 7.6-170.3 -82.2 117.8 82.2 14.0 -4.1 9 433 A K > + 0 0 60 -2,-0.6 3,-1.8 1,-0.1 70,-0.1 -0.744 22.8 168.3-122.0 82.6 81.5 13.3 -7.8 10 434 A P G > S+ 0 0 20 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.737 77.6 71.8 -65.2 -22.5 78.9 10.5 -8.4 11 435 A G G 3 S+ 0 0 17 1,-0.3 68,-0.7 -3,-0.1 67,-0.5 0.556 86.2 66.7 -65.9 -10.1 78.9 11.6 -12.1 12 436 A A G < S+ 0 0 0 -3,-1.8 15,-2.2 66,-0.2 2,-0.3 0.344 88.6 92.1 -90.6 4.5 82.4 10.1 -12.3 13 437 A L E < +A 26 0A 1 -3,-1.7 2,-0.3 13,-0.2 13,-0.2 -0.726 47.6 172.4-100.8 148.7 80.8 6.6 -11.8 14 438 A C E -A 25 0A 0 11,-2.3 11,-2.6 -2,-0.3 2,-0.5 -0.906 30.8-112.6-139.4 173.0 79.6 4.0 -14.3 15 439 A V E -AB 24 48A 4 33,-2.1 33,-2.8 -2,-0.3 2,-0.5 -0.933 20.2-149.2-110.1 131.0 78.4 0.4 -14.2 16 440 A I E -AB 23 47A 1 7,-2.5 7,-2.3 -2,-0.5 2,-0.4 -0.893 15.3-164.5 -98.6 126.4 80.5 -2.4 -15.7 17 441 A D E +AB 22 46A 31 29,-2.9 29,-2.4 -2,-0.5 5,-0.2 -0.949 17.2 156.7-117.7 127.1 78.4 -5.3 -17.0 18 442 A T E > -A 21 0A 12 3,-2.5 3,-1.1 -2,-0.4 27,-0.1 -0.870 56.8 -98.0-134.6 170.1 79.7 -8.8 -17.9 19 443 A P T 3 S+ 0 0 110 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.756 123.5 55.5 -61.6 -22.1 78.1 -12.3 -18.2 20 444 A E T 3 S- 0 0 139 1,-0.2 2,-0.3 18,-0.1 19,-0.0 0.625 122.7 -84.1 -84.9 -15.4 79.5 -13.0 -14.7 21 445 A G E < -A 18 0A 35 -3,-1.1 -3,-2.5 17,-0.1 2,-0.3 -0.978 52.1 -55.7 146.3-158.5 77.8 -10.0 -13.1 22 446 A K E +A 17 0A 133 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.913 38.5 170.2-128.4 149.2 78.1 -6.3 -12.4 23 447 A G E -A 16 0A 9 -7,-2.3 -7,-2.5 -2,-0.3 2,-0.4 -0.857 34.8 -93.6-142.3 179.1 80.6 -3.9 -10.8 24 448 A T E -A 15 0A 0 103,-2.8 11,-0.4 -2,-0.3 2,-0.3 -0.790 35.4-176.8 -98.7 141.0 81.4 -0.3 -10.4 25 449 A G E -A 14 0A 0 -11,-2.6 -11,-2.3 -2,-0.4 2,-0.3 -0.875 7.9-153.9-125.2 165.4 83.8 1.6 -12.7 26 450 A F E -AC 13 33A 0 7,-2.0 7,-3.3 -2,-0.3 2,-0.3 -1.000 18.4-116.0-144.5 147.2 85.1 5.2 -12.6 27 451 A F E + C 0 32A 1 -15,-2.2 54,-3.0 -2,-0.3 2,-0.3 -0.605 37.2 161.4 -83.0 131.0 86.4 7.7 -15.1 28 452 A S E > - C 0 31A 8 3,-2.1 3,-2.4 -2,-0.3 2,-0.1 -0.921 64.8 -38.0-151.4 124.3 90.0 8.9 -14.8 29 453 A G T 3 S- 0 0 50 -2,-0.3 52,-0.0 1,-0.3 546,-0.0 -0.424 124.3 -28.8 56.0-128.1 91.9 10.5 -17.6 30 454 A N T 3 S+ 0 0 61 -2,-0.1 41,-2.3 -3,-0.1 -1,-0.3 0.183 125.2 88.0 -97.6 15.1 90.8 8.8 -20.8 31 455 A D E < -CD 28 70A 11 -3,-2.4 -3,-2.1 39,-0.2 2,-0.5 -0.652 68.1-138.1-112.4 163.3 90.1 5.5 -18.9 32 456 A I E -CD 27 69A 0 37,-2.8 37,-2.9 -5,-0.2 2,-0.4 -1.000 31.5-155.8-112.2 123.2 87.5 3.7 -17.0 33 457 A V E +CD 26 68A 0 -7,-3.3 -7,-2.0 -2,-0.5 2,-0.3 -0.820 25.1 145.7-103.6 138.2 89.1 2.1 -13.9 34 458 A T E - D 0 67A 0 33,-2.0 33,-2.7 -2,-0.4 2,-0.3 -0.878 50.4 -71.1-151.0-176.4 87.7 -0.9 -12.0 35 459 A A E >> - D 0 66A 0 -11,-0.4 3,-1.4 31,-0.3 4,-1.1 -0.630 42.3-120.2 -82.7 146.1 88.8 -4.0 -10.1 36 460 A A H >> S+ 0 0 20 29,-1.7 4,-2.4 1,-0.3 3,-0.5 0.877 111.7 55.0 -52.7 -42.8 90.4 -6.9 -12.0 37 461 A H H 34 S+ 0 0 108 28,-0.3 -1,-0.3 1,-0.2 4,-0.1 0.660 99.0 61.8 -72.1 -14.9 87.7 -9.4 -11.0 38 462 A V H <4 S+ 0 0 12 -3,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.871 112.4 37.6 -71.8 -38.7 84.9 -7.1 -12.3 39 463 A V H X< S+ 0 0 3 -4,-1.1 3,-1.4 -3,-0.5 -2,-0.2 0.869 88.1 165.0 -77.6 -40.6 86.4 -7.4 -15.8 40 464 A G T 3< S- 0 0 30 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.1 -0.358 70.1 -24.0 59.7-131.0 87.4 -11.1 -15.4 41 465 A N T 3 S+ 0 0 170 -4,-0.1 2,-0.7 -2,-0.1 -1,-0.2 -0.109 105.4 116.0-104.6 32.7 88.2 -12.8 -18.7 42 466 A N < - 0 0 32 -3,-1.4 16,-0.1 1,-0.2 3,-0.0 -0.897 41.0-175.1-107.0 103.7 86.2 -10.4 -20.9 43 467 A T S S+ 0 0 84 -2,-0.7 15,-2.9 1,-0.1 2,-0.4 0.834 83.2 44.3 -59.1 -37.9 88.3 -8.3 -23.2 44 468 A F E S+ E 0 57A 105 13,-0.2 2,-0.3 -3,-0.1 13,-0.2 -0.956 77.2 179.9-109.9 128.3 85.2 -6.4 -24.2 45 469 A V E - E 0 56A 3 11,-2.7 11,-2.6 -2,-0.4 2,-0.4 -0.829 28.7-113.9-121.1 160.8 82.8 -5.3 -21.4 46 470 A N E -BE 17 55A 61 -29,-2.4 -29,-2.9 -2,-0.3 2,-0.4 -0.799 27.1-162.9 -90.1 139.1 79.5 -3.4 -21.3 47 471 A V E -BE 16 54A 0 7,-3.1 7,-3.1 -2,-0.4 2,-0.5 -0.993 2.0-158.4-122.1 129.1 79.6 0.1 -19.7 48 472 A C E +BE 15 53A 18 -33,-2.8 -33,-2.1 -2,-0.4 2,-0.4 -0.946 18.3 165.9-111.1 125.6 76.3 1.7 -18.6 49 473 A Y E > - E 0 52A 21 3,-2.3 3,-2.1 -2,-0.5 -35,-0.1 -0.981 69.2 -14.5-143.1 126.7 76.3 5.5 -18.1 50 474 A E T 3 S- 0 0 39 -2,-0.4 352,-0.1 1,-0.3 3,-0.1 0.819 128.9 -53.2 48.6 36.7 73.2 7.8 -17.8 51 475 A G T 3 S+ 0 0 41 1,-0.2 2,-0.5 350,-0.1 -1,-0.3 0.344 114.3 112.2 88.3 -6.4 71.0 4.9 -19.0 52 476 A L E < -E 49 0A 32 -3,-2.1 -3,-2.3 326,-0.1 2,-0.4 -0.875 58.2-141.0-103.8 130.9 73.0 4.2 -22.2 53 477 A M E -E 48 0A 93 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.749 21.1-174.8 -89.7 133.3 75.0 0.9 -22.7 54 478 A Y E -E 47 0A 19 -7,-3.1 -7,-3.1 -2,-0.4 2,-0.4 -0.945 24.0-129.3-123.8 146.7 78.3 1.1 -24.5 55 479 A E E +E 46 0A 136 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.816 35.2 179.2 -89.3 136.9 80.8 -1.6 -25.5 56 480 A A E -E 45 0A 5 -11,-2.6 -11,-2.7 -2,-0.4 2,-0.4 -0.984 21.9-127.5-141.8 150.4 84.3 -0.9 -24.3 57 481 A K E -E 44 0A 114 13,-0.4 13,-2.2 -2,-0.3 -13,-0.2 -0.847 22.8-117.6-107.1 130.9 87.6 -2.6 -24.6 58 482 A V E -F 69 0A 24 -15,-2.9 11,-0.3 -2,-0.4 3,-0.1 -0.412 29.4-175.0 -57.8 131.1 90.0 -3.5 -21.8 59 483 A R E + 0 0 79 9,-3.3 2,-0.3 1,-0.3 10,-0.2 0.842 58.1 3.3 -96.6 -46.8 93.3 -1.6 -22.3 60 484 A Y E -F 68 0A 57 8,-1.7 8,-2.4 101,-0.0 -1,-0.3 -0.993 44.1-165.0-156.1 133.8 95.7 -2.8 -19.6 61 485 A M - 0 0 85 -2,-0.3 6,-0.1 6,-0.2 4,-0.1 -0.859 23.7-169.2-122.4 92.2 95.8 -5.4 -16.7 62 486 A P - 0 0 20 0, 0.0 4,-0.2 0, 0.0 97,-0.1 -0.025 42.3 -92.0 -71.1-178.8 98.8 -4.6 -14.4 63 487 A E S S+ 0 0 197 2,-0.1 96,-0.0 96,-0.0 2,-0.0 0.877 107.6 83.1 -61.4 -40.5 100.1 -6.8 -11.6 64 488 A K S S- 0 0 35 1,-0.1 2,-2.7 95,-0.1 91,-0.0 -0.324 102.5-104.1 -60.6 148.2 97.8 -5.0 -9.1 65 489 A D S S+ 0 0 95 76,-0.1 -29,-1.7 -30,-0.1 2,-0.3 -0.252 87.3 109.9 -75.0 54.0 94.2 -6.3 -9.1 66 490 A I E -D 35 0A 0 -2,-2.7 2,-0.4 -31,-0.3 -31,-0.3 -0.931 54.0-150.0-129.2 149.8 93.0 -3.3 -11.1 67 491 A A E -D 34 0A 0 -33,-2.7 -33,-2.0 -2,-0.3 2,-0.5 -0.974 2.2-152.2-124.6 138.8 91.8 -3.0 -14.7 68 492 A F E -DF 33 60A 0 -8,-2.4 -9,-3.3 -2,-0.4 -8,-1.7 -0.951 13.6-171.0-112.3 122.9 92.0 -0.1 -17.2 69 493 A I E -DF 32 58A 0 -37,-2.9 -37,-2.8 -2,-0.5 2,-0.3 -0.925 27.8-116.4-113.9 132.2 89.3 0.2 -19.8 70 494 A T E -D 31 0A 55 -13,-2.2 -13,-0.4 -2,-0.4 -39,-0.2 -0.527 35.1-119.5 -65.4 123.5 89.5 2.7 -22.8 71 495 A C - 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