==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-APR-07 2PNM . COMPND 2 MOLECULE: PROTEASE VP4; . SOURCE 2 ORGANISM_SCIENTIFIC: INFECTIOUS PANCREATIC NECROSIS VIRUS - . AUTHOR M.PAETZEL,J.LEE,A.R.FELDMAN,B.DELMAS . 181 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8710.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 17.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 1 0.6 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 . 15 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 0 1 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 . 1 1 3 0 1 1 0 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 1 0 0 0 0 1 0 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 1 524 A L 0 0 224 0, 0.0 2,-0.2 0, 0.0 47,-0.0 0.000 360.0 360.0 360.0 -14.3 25.4 -17.0 -3.2 2 525 A E - 0 0 109 43,-0.0 2,-0.4 0, 0.0 41,-0.2 -0.579 360.0-144.1-106.7 164.1 23.6 -13.5 -3.6 3 526 A S - 0 0 34 -2,-0.2 39,-0.2 39,-0.1 38,-0.1 -0.991 28.3-129.9-125.3 113.1 20.2 -12.0 -3.1 4 527 A A - 0 0 26 37,-3.1 2,-0.9 -2,-0.4 0, 0.0 -0.341 19.2-128.8 -56.8 138.5 19.3 -9.3 -5.7 5 528 A N + 0 0 141 89,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.843 55.5 130.2 -94.7 110.9 18.1 -6.2 -4.0 6 529 A Y - 0 0 37 -2,-0.9 88,-0.3 1,-0.1 3,-0.1 -0.916 55.5-138.0-146.4 162.4 14.8 -5.3 -5.7 7 530 A E S S- 0 0 161 1,-0.4 87,-0.4 -2,-0.3 2,-0.3 0.814 83.2 -22.0 -95.4 -48.3 11.3 -4.4 -4.6 8 531 A E - 0 0 87 85,-0.1 -1,-0.4 2,-0.0 2,-0.4 -0.954 55.9-154.3-154.8 161.1 9.4 -6.5 -7.2 9 532 A V E -A 92 0A 43 83,-2.2 83,-2.8 -2,-0.3 2,-0.6 -0.999 10.4-144.7-137.9 134.6 10.0 -8.0 -10.5 10 533 A E E -A 91 0A 92 -2,-0.4 81,-0.2 81,-0.2 79,-0.0 -0.919 23.7-172.7-100.0 119.5 7.5 -8.8 -13.2 11 534 A L E -A 90 0A 39 79,-3.2 79,-1.8 -2,-0.6 -2,-0.0 -0.746 26.8-103.8-107.8 157.5 8.5 -12.0 -15.1 12 535 A P - 0 0 93 0, 0.0 78,-0.2 0, 0.0 -1,-0.1 -0.287 60.1 -68.1 -69.1 169.0 6.9 -13.5 -18.2 13 536 A P - 0 0 74 0, 0.0 76,-0.1 0, 0.0 2,-0.1 -0.335 57.1-117.3 -57.0 134.7 4.6 -16.5 -17.9 14 537 A P - 0 0 19 0, 0.0 105,-0.3 0, 0.0 3,-0.1 -0.421 21.2-114.4 -68.1 150.0 6.6 -19.6 -16.8 15 538 A S S S- 0 0 77 1,-0.2 104,-2.5 21,-0.1 2,-0.3 0.896 98.6 -18.3 -53.7 -40.1 6.7 -22.5 -19.3 16 539 A K B S+c 119 0B 9 102,-0.3 2,-0.3 20,-0.1 104,-0.3 -0.968 76.9 160.9-153.3 168.9 4.8 -24.2 -16.5 17 540 A G - 0 0 0 102,-1.9 2,-0.3 -2,-0.3 18,-0.2 -0.985 24.4-134.4-175.7 169.8 4.3 -23.7 -12.8 18 541 A V E -D 34 0C 0 16,-1.4 16,-2.8 -2,-0.3 2,-0.5 -0.998 15.9-137.0-140.2 141.5 2.2 -24.5 -9.7 19 542 A I E +De 33 124C 0 104,-0.6 106,-2.6 -2,-0.3 14,-0.2 -0.861 24.3 175.3-101.8 132.0 0.8 -22.3 -7.0 20 543 A V E -D 32 0C 0 12,-2.8 12,-2.9 -2,-0.5 2,-0.3 -0.936 27.1-119.6-128.8 154.3 0.9 -23.3 -3.3 21 544 A P E -D 31 0C 1 0, 0.0 2,-0.5 0, 0.0 10,-0.2 -0.674 18.1-152.5 -91.7 150.9 -0.0 -21.6 -0.1 22 545 A V E -D 30 0C 19 8,-3.2 8,-2.1 -2,-0.3 2,-0.6 -0.989 3.8-154.8-121.9 120.7 2.5 -20.9 2.7 23 546 A V E D 29 0C 62 -2,-0.5 6,-0.2 6,-0.2 117,-0.0 -0.871 360.0 360.0 -97.2 121.8 1.3 -20.6 6.3 24 547 A H 0 0 83 4,-3.7 4,-1.0 -2,-0.6 73,-0.0 -0.665 360.0 360.0 -98.0 360.0 3.6 -18.5 8.4 25 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 26 555 A E 0 0 153 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 7.7 -1.7 -13.0 14.0 27 556 A A - 0 0 66 1,-0.1 2,-0.4 -4,-0.0 -4,-0.0 0.047 360.0-148.3 -47.6 156.7 -1.1 -15.8 11.5 28 557 A F - 0 0 122 -4,-1.0 -4,-3.7 2,-0.0 2,-0.4 -0.995 10.2-165.6-140.3 127.1 0.1 -14.9 8.0 29 558 A G E +D 23 0C 17 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.938 12.0 167.1-118.8 143.8 -0.5 -16.6 4.6 30 559 A S E -D 22 0C 23 -8,-2.1 -8,-3.2 -2,-0.4 2,-0.4 -0.849 28.6-117.8-138.1 173.1 1.2 -16.1 1.3 31 560 A L E -D 21 0C 3 50,-0.5 50,-2.7 -2,-0.3 2,-0.4 -0.904 18.5-163.2-114.8 145.8 1.4 -17.8 -2.1 32 561 A A E -DF 20 80C 5 -12,-2.9 -12,-2.8 -2,-0.4 2,-0.5 -0.966 7.3-151.3-121.3 145.1 4.4 -19.3 -3.7 33 562 A I E -DF 19 79C 0 46,-3.0 46,-3.3 -2,-0.4 2,-0.6 -0.975 9.8-148.7-114.6 132.8 4.7 -20.2 -7.4 34 563 A I E +DF 18 78C 0 -16,-2.8 -16,-1.4 -2,-0.5 44,-0.2 -0.921 26.5 169.8-107.1 118.9 7.0 -23.0 -8.3 35 564 A I E - F 0 77C 9 42,-2.0 42,-2.2 -2,-0.6 -18,-0.2 -0.849 37.6 -91.2-130.3 153.1 8.6 -22.5 -11.7 36 565 A P E S+ F 0 76C 18 0, 0.0 40,-0.3 0, 0.0 2,-0.1 -0.394 82.8 47.5 -66.8 146.4 11.4 -24.2 -13.7 37 566 A G S S- 0 0 23 38,-3.8 2,-0.6 -2,-0.1 -2,-0.1 -0.387 87.1 -77.9 112.6 169.9 14.8 -22.8 -13.4 38 567 A E + 0 0 104 -2,-0.1 3,-0.2 1,-0.1 39,-0.1 -0.898 51.3 151.3-114.7 102.5 17.2 -21.7 -10.7 39 568 A Y > + 0 0 89 -2,-0.6 3,-1.8 1,-0.1 4,-0.3 -0.349 13.5 140.9-123.6 49.6 16.5 -18.2 -9.2 40 569 A P G > + 0 0 20 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.834 69.1 69.8 -60.8 -25.9 17.8 -18.3 -5.6 41 570 A E G 3 S+ 0 0 64 1,-0.3 -37,-3.1 -3,-0.2 4,-0.1 0.666 92.3 57.6 -65.9 -18.8 19.0 -14.7 -6.2 42 571 A L G < S+ 0 0 25 -3,-1.8 2,-0.3 -39,-0.2 -1,-0.3 0.515 96.9 86.1 -83.9 -8.9 15.4 -13.6 -6.2 43 572 A L S < S- 0 0 0 -3,-1.9 51,-0.1 -4,-0.3 5,-0.1 -0.674 89.2-105.4 -93.7 145.2 14.9 -15.1 -2.8 44 573 A D >> - 0 0 27 51,-0.3 3,-2.3 -2,-0.3 4,-0.5 -0.401 43.6-107.8 -51.7 142.7 15.5 -13.6 0.6 45 574 A A G >4 S+ 0 0 63 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.840 119.7 62.6 -47.5 -37.2 18.7 -15.2 2.0 46 575 A N G 34 S+ 0 0 81 1,-0.3 -1,-0.3 52,-0.1 50,-0.1 0.683 103.8 47.4 -66.7 -20.6 16.4 -17.2 4.5 47 576 A Q G <4 S+ 0 0 11 -3,-2.3 2,-2.4 51,-0.2 15,-0.5 0.393 79.3 105.8 -97.7 -0.9 14.6 -18.9 1.6 48 577 A Q << + 0 0 47 -3,-1.4 2,-0.5 -4,-0.5 -1,-0.1 -0.333 48.0 129.9 -80.9 60.2 17.8 -19.9 -0.2 49 578 A V - 0 0 54 -2,-2.4 13,-2.0 16,-0.0 14,-1.0 -0.974 48.0-149.0-117.0 127.3 17.5 -23.5 0.8 50 579 A L E -G 61 0C 54 -2,-0.5 2,-0.3 11,-0.2 11,-0.2 -0.867 17.5-178.5-101.0 117.5 17.8 -26.2 -1.9 51 580 A S E -G 60 0C 6 9,-2.4 9,-3.0 -2,-0.6 2,-0.3 -0.829 14.6-135.2-114.8 160.7 15.8 -29.4 -1.3 52 581 A H E -G 59 0C 81 -2,-0.3 15,-2.9 7,-0.2 7,-0.2 -0.853 7.1-127.6-122.4 143.4 15.7 -32.5 -3.5 53 582 A F E >> -k 67 0D 4 5,-1.9 3,-0.7 -2,-0.3 4,-0.5 -0.460 56.9 -74.0 -72.0 161.2 13.2 -34.9 -4.9 54 583 A A E 34 S+k 70 0D 29 15,-2.1 17,-0.5 13,-0.9 3,-0.4 -0.166 108.2 11.6 -58.6 145.2 13.9 -38.6 -4.3 55 584 A N T 34 S- 0 0 124 1,-0.2 -1,-0.2 15,-0.1 15,-0.1 0.682 124.0 -62.5 68.0 29.3 16.7 -40.4 -6.2 56 585 A D T <4 S+ 0 0 157 -3,-0.7 -1,-0.2 2,-0.1 -2,-0.1 0.956 92.2 137.1 63.1 48.8 18.6 -37.6 -7.9 57 586 A T < - 0 0 11 -4,-0.5 16,-1.8 1,-0.5 17,-0.6 -0.022 69.6 -70.8-118.7 28.9 15.6 -36.5 -10.0 58 587 A G E - h 0 74C 18 15,-0.3 -5,-1.9 -5,-0.2 -1,-0.5 -0.486 49.3-117.8 115.2-179.9 16.0 -32.7 -9.6 59 588 A S E -Gh 52 75C 9 15,-1.0 17,-2.8 -7,-0.2 2,-0.4 -0.918 4.5-131.6-153.4 173.4 15.5 -30.1 -6.9 60 589 A V E > -Gh 51 76C 0 -9,-3.0 -9,-2.4 -2,-0.3 3,-0.9 -0.980 13.3-142.9-139.3 120.7 13.7 -27.0 -5.7 61 590 A W E 3 S+Gh 50 77C 47 15,-2.7 17,-3.3 -2,-0.4 -11,-0.2 -0.589 90.1 31.6 -72.2 140.7 15.0 -23.7 -4.3 62 591 A G T 3 S+ 0 0 1 -13,-2.0 38,-2.6 -15,-0.5 2,-0.5 0.478 90.7 113.3 90.0 1.8 12.9 -22.3 -1.5 63 592 A I B < -l 100 0E 7 -14,-1.0 -1,-0.3 -3,-0.9 38,-0.2 -0.939 51.5-160.1-109.3 130.4 11.7 -25.6 -0.3 64 593 A G + 0 0 19 36,-3.7 2,-0.3 -2,-0.5 37,-0.2 0.569 68.1 45.5 -90.0 -13.8 12.9 -26.6 3.3 65 594 A E S S- 0 0 93 35,-0.5 -14,-0.1 37,-0.2 35,-0.0 -0.977 89.2 -98.8-130.5 145.6 12.5 -30.4 3.3 66 595 A D - 0 0 108 -2,-0.3 -13,-0.2 -15,-0.1 -2,-0.1 -0.208 40.2-117.0 -53.4 148.0 13.4 -33.1 0.8 67 596 A I E -k 53 0D 5 -15,-2.9 -13,-0.9 2,-0.1 -1,-0.1 -0.845 15.1-140.7 -97.9 121.3 10.4 -34.3 -1.3 68 597 A P E S+ 0 0 80 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.255 79.2 53.6 -76.1 19.6 9.6 -38.0 -0.7 69 598 A F E S- 0 0 8 -15,-0.0 -15,-2.1 64,-0.0 -2,-0.1 -0.917 93.3 -83.7-138.3 169.9 8.9 -38.8 -4.4 70 599 A E E -k 54 0D 99 -2,-0.3 2,-0.1 -17,-0.2 -15,-0.1 -0.303 34.1-147.4 -72.0 154.7 10.7 -38.4 -7.7 71 600 A G - 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0 0 88 9,-2.6 2,-0.3 -2,-0.7 10,-0.2 0.844 68.5 -28.9 -77.5 -40.1 2.7 -11.1 -5.3 83 612 A E E -B 91 0A 77 8,-1.3 8,-3.0 2,-0.0 2,-0.5 -0.956 47.8-133.0-172.8 148.8 0.3 -11.2 -8.2 84 613 A I E -B 90 0A 53 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.988 31.8-134.2-113.1 129.4 -0.4 -12.8 -11.5 85 614 A K > - 0 0 63 4,-3.6 3,-1.8 -2,-0.5 -2,-0.0 -0.235 23.9-106.8 -74.6 171.4 -1.3 -10.4 -14.3 86 615 A R T 3 S+ 0 0 118 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.762 122.8 54.4 -69.0 -27.4 -4.2 -10.9 -16.8 87 616 A N T 3 S- 0 0 107 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.325 126.1-103.3 -84.1 2.0 -1.7 -11.7 -19.5 88 617 A G S < S+ 0 0 26 -3,-1.8 -2,-0.1 1,-0.3 2,-0.0 0.350 72.5 145.7 92.1 -6.2 -0.2 -14.4 -17.2 89 618 A N - 0 0 33 -76,-0.1 -4,-3.6 -5,-0.1 2,-0.4 -0.355 42.3-135.4 -56.6 141.1 3.0 -12.4 -16.2 90 619 A I E -AB 11 84A 2 -79,-1.8 -79,-3.2 -6,-0.2 2,-0.5 -0.862 7.2-149.3-107.4 139.5 4.0 -13.1 -12.6 91 620 A V E -AB 10 83A 0 -8,-3.0 -9,-2.6 -2,-0.4 -8,-1.3 -0.944 18.4-170.3-109.8 124.1 5.0 -10.5 -10.1 92 621 A V E +AB 9 81A 0 -83,-2.8 -83,-2.2 -2,-0.5 2,-0.3 -0.912 7.6 176.8-118.4 142.8 7.5 -11.7 -7.5 93 622 A E - 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