==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-DEC-10 3ARO . COMPND 2 MOLECULE: CHITINASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO HARVEYI; . AUTHOR S.PANTOOM,I.R.VETTER,H.PRINZ,W.SUGINTA . 576 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22595.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 379 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 41 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.9 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 3 1 0 1 1 1 1 0 1 0 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 3 3 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 PARALLEL BRIDGES PER LADDER . 3 2 3 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 1 1 0 1 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 22 A A 0 0 88 0, 0.0 2,-0.1 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0 112.2 -51.4 -7.4 51.6 2 23 A P - 0 0 0 0, 0.0 51,-0.2 0, 0.0 92,-0.1 0.632 360.0-120.3 -65.6 158.1 -49.1 -8.8 51.6 3 24 A T - 0 0 36 49,-2.2 98,-0.2 47,-0.2 3,-0.1 -0.403 36.6 -98.2 -63.2 144.0 -47.1 -5.5 52.1 4 25 A A - 0 0 49 98,-0.1 98,-0.2 1,-0.1 -1,-0.1 -0.501 39.5-107.1 -64.0 127.0 -44.7 -4.9 49.3 5 26 A P - 0 0 3 0, 0.0 2,-0.6 0, 0.0 99,-0.2 -0.277 28.0-150.7 -46.6 131.2 -41.1 -5.9 49.9 6 27 A S E -A 47 0A 63 41,-2.3 41,-2.2 97,-0.1 2,-0.2 -0.974 16.9-132.0-115.7 121.9 -38.9 -2.9 50.5 7 28 A I E -A 46 0A 36 -2,-0.6 2,-0.9 39,-0.2 39,-0.3 -0.498 4.5-136.4 -78.9 131.1 -35.4 -3.6 49.3 8 29 A D - 0 0 60 37,-3.6 37,-0.4 -2,-0.2 -1,-0.1 -0.796 18.7-170.6 -87.0 105.0 -32.4 -2.8 51.6 9 30 A M > + 0 0 81 -2,-0.9 3,-0.6 35,-0.1 5,-0.4 0.572 51.6 97.6 -70.0 -10.4 -30.0 -1.2 49.1 10 31 A Y T 3 S+ 0 0 173 1,-0.2 35,-0.1 4,-0.1 -2,-0.1 -0.622 72.7 24.0-100.7 139.1 -27.0 -1.1 51.6 11 32 A G T 3 S+ 0 0 89 -2,-0.3 -1,-0.2 0, 0.0 -2,-0.1 0.509 95.6 88.7 97.4 4.7 -24.1 -3.4 52.1 12 33 A S S <> S- 0 0 23 -3,-0.6 4,-2.4 5,-0.0 3,-0.1 -0.116 104.5-100.6-126.4 41.0 -24.0 -4.9 48.6 13 34 A N T 4 S- 0 0 59 1,-0.3 -3,-0.1 2,-0.2 -4,-0.0 0.884 89.7 -49.2 47.2 43.4 -21.7 -2.5 46.6 14 35 A N T 4 S- 0 0 110 -5,-0.4 -1,-0.3 1,-0.2 95,-0.2 0.919 107.9 -52.2 57.5 52.6 -24.9 -0.9 45.2 15 36 A L T 4 S+ 0 0 2 -6,-0.3 94,-2.9 1,-0.2 2,-0.5 0.950 99.2 147.1 49.7 50.2 -26.4 -4.3 44.2 16 37 A Q E < -c 109 0B 48 -4,-2.4 2,-0.4 92,-0.2 -1,-0.2 -0.991 23.4-178.2-112.5 121.5 -23.3 -5.3 42.4 17 38 A F E -c 110 0B 23 92,-3.5 94,-3.2 -2,-0.5 2,-0.4 -0.966 9.6-156.2-117.8 133.5 -22.6 -9.0 42.5 18 39 A S E -c 111 0B 32 -2,-0.4 23,-0.3 92,-0.2 94,-0.2 -0.885 23.1-151.3-118.9 139.4 -19.5 -10.4 40.9 19 40 A K S S+ 0 0 4 92,-3.1 18,-2.6 -2,-0.4 2,-0.4 0.572 90.2 59.9 -74.2 -9.5 -18.8 -13.9 39.6 20 41 A I E S-H 36 0C 4 91,-0.3 2,-0.6 16,-0.2 16,-0.2 -0.979 70.8-151.9-128.0 125.8 -15.1 -13.1 40.4 21 42 A E E -H 35 0C 91 14,-3.1 14,-1.9 -2,-0.4 2,-0.5 -0.874 19.0-176.8 -92.0 123.6 -13.6 -12.2 43.7 22 43 A L E -H 34 0C 17 -2,-0.6 12,-0.2 12,-0.2 2,-0.2 -0.987 26.6-123.2-125.3 116.9 -10.5 -10.0 43.2 23 44 A A - 0 0 27 10,-2.2 2,-0.3 -2,-0.5 3,-0.3 -0.416 31.1-161.8 -55.9 129.9 -8.3 -8.9 46.2 24 45 A M + 0 0 55 -2,-0.2 3,-0.1 1,-0.2 186,-0.0 -0.782 62.8 18.9-114.6 157.1 -8.0 -5.2 46.4 25 46 A E S S+ 0 0 149 -2,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.836 113.2 73.1 51.7 36.9 -5.5 -3.0 48.3 26 47 A T - 0 0 71 -3,-0.3 2,-0.4 2,-0.0 -1,-0.1 -0.966 66.7-143.1-162.8 158.4 -3.1 -5.8 48.6 27 48 A T + 0 0 82 -2,-0.3 2,-0.2 -3,-0.1 -3,-0.1 -0.989 41.6 136.0-130.5 130.6 -0.7 -7.9 46.5 28 49 A S - 0 0 18 -2,-0.4 5,-0.1 1,-0.1 -2,-0.0 -0.792 55.8 -37.7-154.3-174.0 -0.4 -11.5 47.2 29 50 A G >> - 0 0 0 -2,-0.2 4,-2.1 1,-0.1 3,-0.8 -0.242 56.0-116.0 -62.4 146.9 -0.3 -14.9 45.5 30 51 A Y H 3> S+ 0 0 20 165,-3.3 4,-2.4 1,-0.2 166,-0.1 0.868 115.0 51.0 -53.7 -41.1 -2.5 -15.4 42.4 31 52 A N H 34 S+ 0 0 54 166,-0.4 -1,-0.2 164,-0.3 167,-0.1 0.731 112.2 47.9 -71.3 -26.5 -4.7 -18.1 44.1 32 53 A D H <4 S+ 0 0 108 -3,-0.8 -1,-0.2 165,-0.3 -2,-0.2 0.764 116.1 43.5 -71.6 -35.4 -5.2 -15.8 47.1 33 54 A M H < S+ 0 0 2 -4,-2.1 -10,-2.2 1,-0.2 2,-0.5 0.821 113.0 47.7 -86.1 -32.7 -6.1 -12.8 44.9 34 55 A V E < +H 22 0C 12 -4,-2.4 2,-0.4 -5,-0.2 -12,-0.2 -0.947 52.4 164.1-124.2 127.2 -8.4 -14.4 42.3 35 56 A K E -H 21 0C 102 -14,-1.9 -14,-3.1 -2,-0.5 2,-0.4 -0.986 16.7-161.8-138.4 119.9 -11.4 -16.8 42.8 36 57 A Y E -H 20 0C 38 -2,-0.4 2,-0.4 -16,-0.2 -16,-0.2 -0.825 1.0-162.2-107.6 146.3 -14.0 -17.4 40.0 37 58 A H - 0 0 75 -18,-2.6 -2,-0.0 -2,-0.4 3,-0.0 -0.998 20.2-145.6-130.7 132.5 -17.4 -18.9 40.5 38 59 A E S S+ 0 0 109 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.782 96.0 38.5 -60.0 -30.6 -19.7 -20.4 37.8 39 60 A L S S- 0 0 78 -20,-0.1 2,-0.3 -3,-0.1 44,-0.2 -0.988 85.0-132.2-126.3 130.3 -22.7 -19.0 39.6 40 61 A A E - B 0 82A 1 42,-3.1 42,-2.1 -2,-0.4 2,-0.7 -0.593 22.7-126.3 -75.7 134.8 -22.8 -15.6 41.4 41 62 A K E - B 0 81A 148 -23,-0.3 2,-0.6 -2,-0.3 40,-0.2 -0.764 27.5-163.1 -82.7 114.1 -24.2 -15.7 44.9 42 63 A I E + B 0 80A 0 38,-3.1 38,-2.2 -2,-0.7 2,-0.5 -0.895 12.1 176.4-106.1 122.4 -27.0 -13.1 45.0 43 64 A K E + B 0 79A 98 -2,-0.6 2,-0.5 36,-0.2 36,-0.2 -0.980 0.2 175.7-126.5 119.8 -28.2 -12.0 48.5 44 65 A V E - B 0 78A 2 34,-2.7 34,-3.7 -2,-0.5 2,-0.4 -0.973 15.5-152.7-127.3 120.7 -30.8 -9.3 48.8 45 66 A K E + B 0 77A 127 -2,-0.5 -37,-3.6 -37,-0.4 2,-0.3 -0.720 21.6 168.0 -87.5 135.0 -32.4 -8.2 52.1 46 67 A F E -AB 7 76A 1 30,-2.7 30,-2.3 -2,-0.4 2,-0.3 -0.973 16.0-151.6-138.9 157.0 -35.9 -6.7 52.2 47 68 A N E -AB 6 75A 22 -41,-2.2 -41,-2.3 -2,-0.3 2,-0.3 -0.884 15.0-166.3-126.6 165.6 -38.3 -5.9 54.9 48 69 A Q + 0 0 7 26,-2.8 -45,-0.1 -2,-0.3 -2,-0.0 -0.852 20.8 163.6-147.5 95.0 -42.0 -5.7 55.4 49 70 A W + 0 0 177 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 0.839 59.2 55.8 -98.7 -35.0 -42.7 -3.9 58.6 50 71 A S S S- 0 0 96 2,-0.1 -47,-0.2 24,-0.1 -1,-0.1 -0.815 107.0 -18.5 -90.7 137.0 -46.4 -3.0 58.3 51 72 A G S S+ 0 0 71 -2,-0.4 2,-0.2 -49,-0.1 -3,-0.1 -0.244 104.3 1.3 80.2-155.0 -49.1 -5.6 57.6 52 73 A T - 0 0 69 1,-0.1 -49,-2.2 -2,-0.0 -2,-0.1 -0.471 44.8-158.8 -83.8 144.3 -48.9 -9.1 56.3 53 74 A S - 0 0 27 -51,-0.2 -1,-0.1 -2,-0.2 2,-0.1 0.838 29.0-147.3 -82.9 -39.6 -45.7 -10.8 55.4 54 75 A G - 0 0 14 1,-0.1 42,-0.3 40,-0.1 -1,-0.1 -0.253 19.8 -97.1 84.5 177.8 -46.9 -13.5 53.0 55 76 A D S S+ 0 0 105 40,-2.2 16,-2.6 1,-0.2 2,-0.3 0.706 91.5 28.1 -99.0 -40.7 -45.4 -17.0 52.5 56 77 A T E -DE 70 95B 54 39,-2.4 39,-3.3 14,-0.3 2,-0.3 -0.958 59.5-146.8-136.4 147.7 -43.2 -16.8 49.5 57 78 A Y E -DE 69 94B 12 12,-2.8 12,-1.6 -2,-0.3 2,-0.4 -0.830 6.7-161.2-110.3 158.0 -41.0 -14.4 47.6 58 79 A N E -DE 68 93B 16 35,-2.6 35,-3.5 -2,-0.3 2,-0.4 -0.997 6.7-152.2-131.7 131.9 -40.3 -14.1 43.9 59 80 A V E -DE 67 92B 0 8,-1.7 7,-3.2 -2,-0.4 8,-1.1 -0.892 13.2-164.6 -96.5 132.7 -37.3 -12.2 42.4 60 81 A Y E -DE 65 91B 39 31,-2.8 31,-1.8 -2,-0.4 2,-0.5 -0.949 11.3-161.8-114.6 136.4 -37.8 -10.9 38.8 61 82 A F E > S-DE 64 90B 5 3,-2.5 3,-2.3 -2,-0.4 29,-0.2 -0.995 87.0 -18.9-108.9 124.0 -35.0 -9.6 36.4 62 83 A D T 3 S- 0 0 91 27,-2.7 -1,-0.1 -2,-0.5 28,-0.1 0.860 131.1 -50.4 44.9 45.0 -36.6 -7.5 33.7 63 84 A G T 3 S+ 0 0 51 26,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.431 114.8 114.9 79.6 1.1 -39.9 -9.0 34.4 64 85 A V E < S-D 61 0B 95 -3,-2.3 -3,-2.5 2,-0.0 -1,-0.2 -0.906 70.6-117.2-108.6 129.9 -38.8 -12.6 34.3 65 86 A K E +D 60 0B 112 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.415 40.5 162.8 -64.0 127.2 -38.9 -14.8 37.4 66 87 A V E + 0 0 38 -7,-3.2 2,-0.3 1,-0.3 -6,-0.2 0.532 58.6 17.0-123.3 -14.0 -35.3 -15.9 38.4 67 88 A A E -D 59 0B 12 -8,-1.1 -8,-1.7 13,-0.1 -1,-0.3 -0.991 52.8-170.1-157.6 161.3 -35.7 -17.0 42.1 68 89 A T E +D 58 0B 83 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.993 17.9 136.5-152.7 154.0 -38.1 -18.1 44.8 69 90 A G E -D 57 0B 23 -12,-1.6 -12,-2.8 -2,-0.3 2,-0.3 -0.976 47.4 -56.5-177.6-173.3 -38.2 -18.8 48.5 70 91 A A E -D 56 0B 68 -2,-0.3 2,-0.4 -14,-0.3 -14,-0.3 -0.623 40.1-127.5 -91.8 138.2 -39.8 -18.5 51.8 71 92 A I - 0 0 17 -16,-2.6 3,-0.1 -2,-0.3 -17,-0.1 -0.712 20.8-158.1 -75.6 131.2 -40.7 -15.2 53.5 72 93 A T - 0 0 108 -2,-0.4 2,-0.2 1,-0.2 -1,-0.2 0.976 47.4 -77.7 -82.8 -55.1 -39.1 -15.3 56.9 73 94 A G S S- 0 0 30 -20,-0.1 -1,-0.2 -21,-0.0 3,-0.1 -0.576 93.0 -20.4-166.6-114.8 -41.1 -12.8 58.9 74 95 A S S S+ 0 0 52 1,-0.2 -26,-2.8 -2,-0.2 2,-0.4 0.556 134.9 37.1 -89.7 -3.6 -40.8 -9.0 58.7 75 96 A Q E S+B 47 0A 133 -28,-0.3 2,-0.3 -26,-0.1 -28,-0.2 -0.907 71.6 172.4-145.4 118.9 -37.2 -9.2 57.3 76 97 A T E -B 46 0A 3 -30,-2.3 -30,-2.7 -2,-0.4 2,-0.6 -0.870 26.2-135.7-124.1 156.7 -36.1 -11.7 54.8 77 98 A T E -B 45 0A 58 -2,-0.3 2,-0.4 -32,-0.2 -32,-0.3 -0.952 15.6-143.6-111.6 115.4 -33.0 -12.4 52.7 78 99 A A E -B 44 0A 0 -34,-3.7 -34,-2.7 -2,-0.6 2,-0.4 -0.655 27.5-177.3 -73.1 129.1 -33.5 -13.4 49.1 79 100 A S E +B 43 0A 65 -2,-0.4 2,-0.3 -36,-0.2 -36,-0.2 -0.968 18.0 120.5-140.4 115.9 -30.7 -15.9 48.4 80 101 A F E -B 42 0A 26 -38,-2.2 -38,-3.1 -2,-0.4 2,-0.3 -0.962 48.1-100.7-165.3 175.6 -30.0 -17.6 45.1 81 102 A E E -B 41 0A 119 -2,-0.3 2,-0.4 -40,-0.2 -40,-0.2 -0.875 23.9-173.1-119.3 146.9 -27.5 -18.1 42.3 82 103 A Y E -B 40 0A 51 -42,-2.1 -42,-3.1 -2,-0.3 -2,-0.0 -0.994 12.7-173.6-144.3 132.0 -27.1 -16.7 38.9 83 104 A G + 0 0 26 -2,-0.4 2,-0.6 -44,-0.2 -1,-0.1 0.755 62.1 81.5 -94.0 -27.9 -24.8 -17.5 36.0 84 105 A Q - 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