==== 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/HYDROLASE INHIBITOR 09-DEC-10 3ARU . COMPND 2 MOLECULE: CHITINASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO HARVEYI; . AUTHOR S.PANTOOM,I.R.VETTER,H.PRINZ,W.SUGINTA . 570 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22235.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 378 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 38 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 18.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.1 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 3 2 0 1 1 0 0 1 2 0 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 2 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 1 4 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 72 0, 0.0 51,-0.3 0, 0.0 99,-0.1 0.000 360.0 360.0 360.0 -5.1 69.9 -3.0 41.7 2 23 A P - 0 0 5 0, 0.0 2,-0.2 0, 0.0 51,-0.2 -0.282 360.0 -83.6 -60.7 171.6 66.7 -3.3 43.6 3 24 A T - 0 0 35 49,-2.9 98,-0.2 47,-0.2 100,-0.1 -0.568 51.2-107.8 -73.0 136.5 64.6 -6.3 42.7 4 25 A A - 0 0 40 -2,-0.2 98,-0.2 98,-0.1 89,-0.1 -0.512 42.8-104.7 -65.7 135.3 62.5 -5.5 39.6 5 26 A P - 0 0 6 0, 0.0 2,-0.4 0, 0.0 99,-0.3 -0.280 23.9-148.5 -57.4 145.0 58.7 -5.1 40.6 6 27 A S E -A 47 0A 58 41,-2.3 41,-2.6 97,-0.1 2,-0.3 -0.995 24.2-127.0-108.1 132.2 56.2 -8.0 39.8 7 28 A I E -A 46 0A 38 -2,-0.4 2,-1.0 39,-0.2 39,-0.3 -0.549 9.0-135.8 -83.0 133.4 52.8 -6.5 39.2 8 29 A D E -A 45 0A 48 37,-2.8 37,-0.5 -2,-0.3 4,-0.5 -0.796 21.9-171.4 -86.4 95.6 49.9 -8.0 41.3 9 30 A M S > >S+ 0 0 83 -2,-1.0 5,-2.0 1,-0.2 3,-1.3 0.947 80.5 42.8 -60.3 -46.9 47.3 -8.3 38.5 10 31 A Y G > 5S+ 0 0 186 1,-0.3 3,-0.9 3,-0.2 -1,-0.2 0.859 112.8 52.1 -73.9 -29.0 44.3 -9.3 40.8 11 32 A G G 3 5S+ 0 0 27 1,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.536 106.0 56.7 -79.6 -4.2 45.2 -6.7 43.4 12 33 A S G X 5S- 0 0 2 -3,-1.3 3,-2.2 -4,-0.5 4,-0.3 -0.180 124.0 -97.0-119.2 35.4 45.3 -4.0 40.7 13 34 A N G X 5S- 0 0 86 -3,-0.9 3,-1.9 1,-0.3 -3,-0.2 0.827 74.4 -66.0 55.6 38.1 41.7 -4.6 39.4 14 35 A N G 3 > - 0 0 0 -2,-0.2 4,-2.0 1,-0.1 3,-0.7 -0.344 55.1-118.0 -65.7 150.7 20.2 7.4 41.3 30 51 A Y H 3> S+ 0 0 17 165,-2.9 4,-2.0 1,-0.3 -1,-0.1 0.850 113.4 49.8 -58.7 -44.1 22.0 8.5 38.1 31 52 A N H 34 S+ 0 0 58 166,-0.3 -1,-0.3 164,-0.3 167,-0.1 0.761 113.0 49.2 -68.7 -25.3 24.4 10.9 39.9 32 53 A D H <4 S+ 0 0 109 -3,-0.7 -1,-0.2 165,-0.3 -2,-0.2 0.804 116.6 40.4 -74.9 -32.9 25.3 8.2 42.3 33 54 A M H < S+ 0 0 5 -4,-2.0 -10,-2.3 1,-0.2 2,-0.5 0.714 114.8 46.9 -92.7 -23.6 25.9 5.5 39.6 34 55 A V E < +H 22 0C 12 -4,-2.0 2,-0.4 -5,-0.2 -12,-0.2 -0.968 54.4 163.4-128.8 120.5 27.8 7.5 36.9 35 56 A K E -H 21 0C 90 -14,-2.4 -14,-3.3 -2,-0.5 2,-0.4 -0.980 19.8-156.5-138.1 121.9 30.7 9.9 37.5 36 57 A Y E -H 20 0C 36 -2,-0.4 2,-0.4 -16,-0.2 -16,-0.2 -0.826 11.2-164.3 -98.7 132.0 33.0 11.0 34.6 37 58 A H - 0 0 45 -18,-3.1 -2,-0.0 -2,-0.4 3,-0.0 -0.974 24.3-141.7-119.8 136.4 36.5 12.1 35.6 38 59 A E S S+ 0 0 127 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.787 98.3 41.1 -66.0 -26.7 38.9 14.1 33.3 39 60 A L S S- 0 0 78 -20,-0.1 44,-0.3 -21,-0.1 2,-0.2 -0.986 87.0-132.4-122.0 130.7 41.7 12.0 34.8 40 61 A A E - B 0 82A 0 42,-3.0 42,-1.8 -2,-0.4 2,-0.6 -0.561 23.4-123.7 -74.9 140.3 41.3 8.2 35.4 41 62 A K E - B 0 81A 122 -23,-0.5 2,-0.4 -2,-0.2 -23,-0.4 -0.783 28.9-164.1 -86.3 121.8 42.5 7.1 38.8 42 63 A I E + B 0 80A 2 38,-3.4 38,-2.1 -2,-0.6 2,-0.4 -0.876 12.1 177.4-108.3 135.0 45.1 4.4 38.4 43 64 A K E + B 0 79A 106 -2,-0.4 2,-0.5 36,-0.2 36,-0.2 -0.946 4.4 176.4-138.2 119.6 46.1 2.1 41.3 44 65 A V E - B 0 78A 0 34,-2.8 34,-3.4 -2,-0.4 2,-0.4 -0.982 14.3-155.1-128.7 122.4 48.7 -0.7 40.7 45 66 A K E +AB 8 77A 82 -37,-0.5 -37,-2.8 -2,-0.5 2,-0.3 -0.763 17.6 177.4 -96.1 142.5 50.0 -2.9 43.4 46 67 A F E -AB 7 76A 0 30,-2.5 30,-2.7 -2,-0.4 2,-0.3 -0.963 14.1-146.7-143.0 158.2 53.4 -4.5 42.9 47 68 A N E -AB 6 75A 6 -41,-2.6 -41,-2.3 -2,-0.3 2,-0.3 -0.926 14.4-168.6-128.1 149.5 55.6 -6.8 45.0 48 69 A Q + 0 0 3 26,-2.6 -45,-0.1 -2,-0.3 -2,-0.0 -0.820 21.2 171.2-132.2 85.7 59.4 -7.2 45.4 49 70 A W + 0 0 175 -2,-0.3 2,-0.3 4,-0.0 -1,-0.1 0.815 60.2 36.6 -74.6 -31.9 59.4 -10.5 47.4 50 71 A S S S+ 0 0 79 2,-0.1 -47,-0.2 -3,-0.1 0, 0.0 -0.789 106.6 7.2-116.6 166.2 63.1 -11.2 47.3 51 72 A G S S- 0 0 68 -2,-0.3 2,-0.3 -49,-0.1 -3,-0.1 -0.148 104.9 -25.6 67.4-157.5 66.2 -8.9 47.5 52 73 A T - 0 0 88 -51,-0.3 -49,-2.9 1,-0.1 -2,-0.1 -0.650 43.9-149.3-101.4 149.8 66.0 -5.2 48.2 53 74 A S - 0 0 32 -2,-0.3 -1,-0.1 -51,-0.2 3,-0.1 0.777 32.7-148.3 -84.9 -32.4 63.0 -3.0 47.5 54 75 A G - 0 0 16 1,-0.1 42,-0.3 40,-0.1 -1,-0.2 -0.331 22.8 -89.0 84.3-169.6 64.9 0.3 46.7 55 76 A D S S+ 0 0 84 40,-2.6 16,-2.2 1,-0.2 2,-0.3 0.665 92.4 30.3-123.1 -13.7 63.5 3.7 47.5 56 77 A T E -DE 70 95B 44 39,-1.8 39,-3.0 14,-0.3 2,-0.3 -0.986 55.9-152.4-143.3 152.9 61.5 5.0 44.5 57 78 A Y E -DE 69 94B 16 12,-2.7 12,-1.9 -2,-0.3 2,-0.4 -0.908 3.6-163.6-119.1 152.4 59.4 3.8 41.7 58 79 A N E -DE 68 93B 18 35,-2.1 35,-2.6 -2,-0.3 2,-0.4 -0.995 10.7-148.3-125.5 143.6 58.7 5.2 38.2 59 80 A V E -DE 67 92B 0 8,-3.1 7,-3.3 -2,-0.4 8,-1.3 -0.917 12.2-165.8-113.7 135.7 55.8 4.0 36.0 60 81 A Y E -DE 65 91B 32 31,-2.6 31,-2.1 -2,-0.4 2,-0.5 -0.966 11.3-160.7-115.8 137.4 56.1 4.1 32.2 61 82 A F E > S-DE 64 90B 5 3,-2.7 3,-2.1 -2,-0.4 29,-0.2 -0.991 87.0 -19.9-112.4 122.0 53.3 3.8 29.6 62 83 A D T 3 S- 0 0 94 27,-2.9 -1,-0.2 -2,-0.5 28,-0.1 0.887 131.9 -48.9 46.6 40.0 54.8 2.7 26.2 63 84 A G T 3 S+ 0 0 51 26,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.378 114.9 115.1 90.6 -4.3 58.2 3.9 27.4 64 85 A V E < -D 61 0B 95 -3,-2.1 -3,-2.7 1,-0.0 -1,-0.2 -0.850 69.5-118.0-107.6 131.4 57.0 7.3 28.6 65 86 A K E +D 60 0B 116 -2,-0.5 -5,-0.3 -5,-0.3 3,-0.1 -0.448 39.9 162.5 -66.0 129.9 57.2 8.2 32.3 66 87 A V E + 0 0 37 -7,-3.3 2,-0.3 1,-0.4 15,-0.2 0.510 58.3 11.0-126.4 -16.8 53.8 8.8 33.8 67 88 A A E -D 59 0B 13 -8,-1.3 -8,-3.1 13,-0.1 -1,-0.4 -0.977 52.3-171.9-159.7 157.6 54.2 8.6 37.6 68 89 A T E +D 58 0B 71 -2,-0.3 2,-0.3 -10,-0.3 -10,-0.2 -0.951 17.1 143.5-148.4 159.5 56.7 8.3 40.3 69 90 A G E -D 57 0B 24 -12,-1.9 -12,-2.7 -2,-0.3 2,-0.2 -0.981 43.5 -60.3-174.8-172.3 56.7 7.7 44.1 70 91 A A E -D 56 0B 67 -2,-0.3 2,-0.5 -14,-0.2 -14,-0.3 -0.546 27.5-158.9 -90.0 146.5 58.2 6.2 47.2 71 92 A I + 0 0 7 -16,-2.2 5,-0.1 -2,-0.2 3,-0.1 -0.990 20.5 163.2-114.0 133.3 58.9 2.6 47.8 72 93 A T + 0 0 132 -2,-0.5 2,-0.2 3,-0.2 -1,-0.1 0.366 60.3 2.4-133.8 10.4 59.2 1.9 51.5 73 94 A G S S- 0 0 30 -20,-0.1 -1,-0.1 -19,-0.0 -21,-0.0 -0.935 91.3 -66.5-169.4-161.0 58.8 -1.9 51.7 74 95 A S S S+ 0 0 67 -2,-0.2 -26,-2.6 1,-0.1 2,-0.4 0.520 115.5 45.0 -87.7 -2.1 58.3 -5.2 49.9 75 96 A Q E -B 47 0A 133 -28,-0.2 2,-0.4 -70,-0.0 -28,-0.2 -0.997 69.5-178.2-137.3 128.9 54.7 -4.4 48.6 76 97 A T E -B 46 0A 13 -30,-2.7 -30,-2.5 -2,-0.4 2,-0.6 -0.989 20.2-150.2-130.4 142.7 53.9 -1.0 47.1 77 98 A T E -B 45 0A 56 -2,-0.4 2,-0.7 -32,-0.2 -32,-0.3 -0.953 15.5-155.6-107.7 114.4 50.6 0.5 45.8 78 99 A A E -B 44 0A 0 -34,-3.4 -34,-2.8 -2,-0.6 2,-0.5 -0.850 14.2-175.8 -88.3 117.1 51.3 3.1 43.0 79 100 A S E +B 43 0A 79 -2,-0.7 2,-0.3 -36,-0.2 -36,-0.2 -0.966 19.1 136.3-113.9 125.5 48.4 5.6 42.8 80 101 A F E -B 42 0A 27 -38,-2.1 -38,-3.4 -2,-0.5 2,-0.3 -0.898 44.0-111.6-154.4 179.1 48.4 8.2 40.0 81 102 A E E -B 41 0A 108 -2,-0.3 2,-0.3 -40,-0.2 -40,-0.2 -0.909 22.6-174.4-119.7 149.2 46.0 9.9 37.5 82 103 A Y E -B 40 0A 58 -42,-1.8 -42,-3.0 -2,-0.3 -2,-0.0 -0.992 12.5-158.2-145.5 142.4 46.1 9.6 33.7 83 104 A G + 0 0 26 -2,-0.3 2,-0.5 -44,-0.3 -42,-0.0 0.523 63.4 77.8-104.4 -4.2 43.9 11.5 31.2 84 105 A Q - 0 0 124 -44,-0.1 2,-0.0 28,-0.0 28,-0.0 -0.888 67.3-135.6-117.3 125.6 43.9 9.6 28.0 85 106 A G + 0 0 5 -2,-0.5 2,-0.3 24,-0.0 26,-0.2 -0.396 54.8 89.7 -70.6 153.7 41.9 6.4 27.2 86 107 A G E S- F 0 110B 8 24,-2.2 24,-2.9 2,-0.1 2,-0.4 -0.904 75.8 -73.5 153.7-177.6 43.6 3.5 25.4 87 108 A L E - F 0 109B 67 29,-0.3 2,-0.3 -2,-0.3 22,-0.2 -0.965 50.8-178.0-108.4 137.9 45.6 0.3 25.9 88 109 A Y E - F 0 108B 25 20,-2.4 20,-3.1 -2,-0.4 2,-0.7 -0.961 33.3-119.2-136.6 153.4 49.2 0.9 27.0 89 110 A Q E - F 0 107B 78 -2,-0.3 -27,-2.9 18,-0.2 -26,-0.5 -0.825 40.1-159.2 -90.9 113.1 52.3 -1.3 27.7 90 111 A M E +EF 61 106B 0 16,-3.3 16,-1.5 -2,-0.7 2,-0.4 -0.819 16.1 178.1-100.5 136.6 53.0 -0.5 31.4 91 112 A E E -E 60 0B 42 -31,-2.1 -31,-2.6 -2,-0.4 2,-0.4 -0.974 12.4-156.1-128.9 150.1 56.4 -1.1 33.1 92 113 A I E -E 59 0B 0 -2,-0.4 11,-2.9 12,-0.3 2,-0.4 -0.996 9.5-162.1-126.0 130.4 57.2 -0.2 36.7 93 114 A E E -EG 58 102B 15 -35,-2.6 -35,-2.1 -2,-0.4 2,-0.4 -0.882 7.3-151.0-111.4 140.3 60.8 0.4 37.7 94 115 A A E -EG 57 101B 0 7,-2.3 7,-2.7 -2,-0.4 2,-0.4 -0.943 20.2-167.3-108.9 142.0 62.2 0.4 41.2 95 116 A a E +EG 56 100B 11 -39,-3.0 -40,-2.6 -2,-0.4 -39,-1.8 -0.921 16.9 171.7-131.7 144.4 65.3 2.6 41.9 96 117 A D E > - G 0 99B 40 3,-2.5 3,-0.8 -2,-0.4 -2,-0.0 -0.686 58.8 -79.7-132.7-173.1 67.9 3.0 44.6 97 118 A A T 3 S+ 0 0 106 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.695 128.4 49.2 -63.0 -19.3 71.1 5.2 44.6 98 119 A T T 3 S- 0 0 112 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.595 121.5 -53.8 -97.5 -14.8 72.9 2.5 42.5 99 120 A G E < -G 96 0B 27 -3,-0.8 -3,-2.5 2,-0.0 2,-0.3 -0.977 49.9 -90.1 161.9-179.9 70.4 1.9 39.7 100 121 A a E -G 95 0B 67 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.918 18.1-156.5-126.3 150.7 66.9 0.9 38.5 101 122 A S E -G 94 0B 27 -7,-2.7 -7,-2.3 -2,-0.3 2,-0.3 -0.980 15.3-150.2-130.5 119.3 65.3 -2.4 37.7 102 123 A K E -G 93 0B 99 -2,-0.4 -9,-0.3 -9,-0.2 -98,-0.1 -0.678 12.4-126.7 -93.7 140.5 62.2 -2.4 35.4 103 124 A S - 0 0 7 -11,-2.9 -97,-0.1 -2,-0.3 -1,-0.1 -0.274 40.4 -89.6 -66.3 163.3 59.4 -5.0 35.5 104 125 A A - 0 0 79 -99,-0.3 -12,-0.3 1,-0.1 -97,-0.2 -0.452 57.3 -96.4 -64.2 151.2 58.4 -6.9 32.4 105 126 A P - 0 0 71 0, 0.0 2,-0.3 0, 0.0 -14,-0.2 -0.471 42.7-175.7 -74.5 148.2 55.7 -4.9 30.4 106 127 A V E - 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