==== 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 3ARZ . COMPND 2 MOLECULE: CHITINASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO HARVEYI; . AUTHOR S.PANTOOM,I.R.VETTER,H.PRINZ,W.SUGINTA . 567 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22469.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 378 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 12.7 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 . 34 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 18.7 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 2 2 0 1 0 1 1 1 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 4 2 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 73 0, 0.0 51,-0.3 0, 0.0 99,-0.1 0.000 360.0 360.0 360.0 49.5 61.0 -35.7 29.4 2 23 A P - 0 0 4 0, 0.0 2,-0.2 0, 0.0 51,-0.2 -0.203 360.0 -84.0 -63.8 165.3 57.7 -37.7 29.2 3 24 A T - 0 0 33 49,-3.1 98,-0.2 47,-0.2 48,-0.0 -0.556 51.8-104.9 -63.2 133.3 56.6 -38.9 25.8 4 25 A A - 0 0 44 -2,-0.2 98,-0.2 98,-0.1 89,-0.1 -0.363 42.9-110.0 -56.4 132.2 54.6 -36.1 23.9 5 26 A P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 99,-0.3 -0.344 24.1-146.6 -65.6 152.9 50.9 -36.9 24.0 6 27 A S E -A 47 0A 71 41,-2.3 41,-3.0 97,-0.1 2,-0.4 -0.972 22.4-117.5-117.3 129.0 49.1 -38.0 20.8 7 28 A I E -A 46 0A 35 -2,-0.4 2,-1.4 39,-0.2 39,-0.3 -0.481 9.6-146.3 -72.3 123.2 45.4 -36.9 20.3 8 29 A D E > -A 45 0A 50 37,-2.9 4,-0.7 -2,-0.4 37,-0.5 -0.640 19.4-174.8 -83.8 90.0 42.7 -39.6 20.0 9 30 A M T >4>S+ 0 0 83 -2,-1.4 5,-2.6 1,-0.2 3,-1.7 0.916 77.6 50.7 -43.7 -58.2 40.2 -37.7 17.6 10 31 A Y G >45S+ 0 0 199 1,-0.3 3,-1.0 3,-0.2 -1,-0.2 0.887 113.9 44.6 -58.6 -38.6 37.4 -40.3 17.6 11 32 A G G 345S+ 0 0 21 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.2 0.555 109.7 57.5 -78.5 -8.4 37.3 -40.4 21.4 12 33 A S G X<5S- 0 0 1 -3,-1.7 3,-2.3 -4,-0.7 4,-0.4 -0.020 119.6-109.2-108.8 22.8 37.5 -36.6 21.5 13 34 A N G X 5S- 0 0 88 -3,-1.0 3,-1.8 1,-0.3 -3,-0.2 0.865 70.7 -63.1 50.6 39.7 34.4 -36.2 19.3 14 35 A N G 3 > - 0 0 0 -2,-0.2 4,-1.5 1,-0.1 3,-1.1 -0.323 61.4-112.4 -65.5 155.4 9.8 -30.6 21.9 30 51 A Y H 3> S+ 0 0 23 165,-2.8 4,-1.7 1,-0.3 3,-0.3 0.876 118.0 50.8 -60.5 -42.3 12.0 -27.4 21.5 31 52 A N H 34 S+ 0 0 61 166,-0.4 -1,-0.3 164,-0.3 167,-0.1 0.683 111.5 50.2 -73.2 -18.3 13.2 -27.6 25.2 32 53 A D H <4 S+ 0 0 100 -3,-1.1 -1,-0.2 165,-0.3 -2,-0.2 0.725 116.4 40.3 -80.1 -26.5 14.2 -31.3 24.6 33 54 A M H < S+ 0 0 3 -4,-1.5 -10,-2.0 -3,-0.3 2,-0.4 0.631 115.5 47.8 -96.3 -21.9 16.1 -30.6 21.5 34 55 A V E < +H 22 0C 11 -4,-1.7 2,-0.4 -12,-0.2 -12,-0.2 -0.985 53.8 164.5-131.5 119.7 17.9 -27.3 22.4 35 56 A K E -H 21 0C 83 -14,-2.1 -14,-2.8 -2,-0.4 2,-0.5 -0.965 20.3-156.0-138.1 117.0 19.8 -26.6 25.6 36 57 A Y E -H 20 0C 45 -2,-0.4 2,-0.4 -16,-0.2 -16,-0.2 -0.838 11.5-162.4 -95.7 127.0 22.2 -23.6 25.8 37 58 A H - 0 0 81 -18,-3.1 -2,-0.0 -2,-0.5 3,-0.0 -0.916 23.2-140.9-110.0 142.7 25.0 -24.0 28.4 38 59 A E S S+ 0 0 131 -2,-0.4 2,-0.4 1,-0.1 -1,-0.1 0.808 95.7 40.4 -68.0 -27.7 27.1 -21.1 29.8 39 60 A L S S- 0 0 76 -20,-0.1 2,-0.4 -21,-0.1 44,-0.2 -0.974 80.9-135.6-123.5 135.5 30.1 -23.5 29.6 40 61 A A E - B 0 82A 0 42,-3.0 42,-2.0 -2,-0.4 2,-0.5 -0.716 22.3-128.7 -79.4 137.5 31.0 -26.0 26.9 41 62 A K E - B 0 81A 165 -23,-0.5 2,-0.5 -2,-0.4 -23,-0.3 -0.765 25.3-163.3 -86.9 123.6 32.1 -29.4 28.3 42 63 A I E + B 0 80A 2 38,-3.2 38,-2.2 -2,-0.5 2,-0.4 -0.930 13.0 176.6-110.1 135.5 35.4 -30.4 26.6 43 64 A K E + B 0 79A 122 -2,-0.5 2,-0.5 36,-0.2 36,-0.2 -0.955 4.4 177.4-139.5 109.0 36.6 -34.0 26.7 44 65 A V E - B 0 78A 0 34,-2.9 34,-3.0 -2,-0.4 2,-0.4 -0.967 13.2-155.5-117.4 130.8 39.8 -34.7 24.9 45 66 A K E +AB 8 77A 73 -37,-0.5 -37,-2.9 -2,-0.5 2,-0.3 -0.806 18.6 172.0-105.1 136.8 41.4 -38.2 24.9 46 67 A F E -AB 7 76A 1 30,-2.5 30,-2.4 -2,-0.4 2,-0.3 -0.974 14.9-147.5-137.1 161.2 45.1 -38.6 24.3 47 68 A N E -AB 6 75A 16 -41,-3.0 -41,-2.3 -2,-0.3 28,-0.2 -0.892 16.8-168.3-134.0 161.7 47.6 -41.5 24.5 48 69 A Q + 0 0 7 26,-2.3 -45,-0.1 -2,-0.3 27,-0.1 -0.697 20.9 163.8-140.4 81.8 51.2 -42.1 25.2 49 70 A W + 0 0 206 -2,-0.2 2,-0.2 3,-0.0 25,-0.1 0.693 60.9 51.7 -79.8 -18.1 51.9 -45.6 24.1 50 71 A S S S- 0 0 79 2,-0.1 -47,-0.2 24,-0.1 0, 0.0 -0.710 105.0 -5.2-116.9 163.2 55.8 -45.4 24.0 51 72 A G S S- 0 0 73 -2,-0.2 2,-0.4 -49,-0.1 -3,-0.1 -0.106 108.1 -27.6 52.5-140.1 58.3 -44.2 26.7 52 73 A T - 0 0 89 -51,-0.3 -49,-3.1 1,-0.1 -2,-0.1 -0.869 44.9-150.1-116.3 143.1 57.1 -42.8 30.0 53 74 A S - 0 0 27 -2,-0.4 -1,-0.1 -51,-0.2 42,-0.1 0.742 32.6-144.7 -89.1 -19.7 53.8 -41.0 30.4 54 75 A G - 0 0 16 1,-0.1 19,-0.3 40,-0.1 42,-0.3 -0.310 22.3 -88.2 80.8-176.3 54.7 -38.6 33.2 55 76 A D S S+ 0 0 103 40,-2.3 16,-1.9 1,-0.2 2,-0.3 0.696 94.9 31.1-110.7 -30.4 52.5 -37.4 36.1 56 77 A T E -DE 70 95B 61 39,-2.3 39,-3.0 14,-0.3 2,-0.3 -0.972 56.5-156.6-137.2 152.7 50.6 -34.3 35.0 57 78 A Y E -DE 69 94B 16 12,-2.2 12,-1.5 -2,-0.3 2,-0.4 -0.879 3.6-160.9-118.4 156.5 49.2 -32.9 31.8 58 79 A N E -DE 68 93B 14 35,-2.1 35,-2.8 -2,-0.3 2,-0.4 -0.996 10.6-146.7-128.9 146.3 48.4 -29.2 30.8 59 80 A V E -DE 67 92B 0 8,-3.1 7,-2.8 -2,-0.4 8,-1.3 -0.914 15.1-165.1-112.4 133.6 46.2 -28.2 28.0 60 81 A Y E -DE 65 91B 28 31,-2.9 31,-1.9 -2,-0.4 2,-0.5 -0.969 12.6-163.6-117.7 137.6 46.9 -25.0 26.0 61 82 A F E > S-DE 64 90B 4 3,-2.8 3,-2.5 -2,-0.4 29,-0.2 -0.990 87.3 -19.2-114.9 128.7 44.7 -23.0 23.6 62 83 A D T 3 S- 0 0 95 27,-2.2 -1,-0.1 -2,-0.5 28,-0.1 0.826 130.5 -52.1 37.9 42.5 46.8 -20.6 21.5 63 84 A G T 3 S+ 0 0 49 26,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.395 113.8 116.1 84.5 1.5 49.6 -20.9 24.1 64 85 A V E < -D 61 0B 91 -3,-2.5 -3,-2.8 2,-0.0 2,-0.3 -0.877 69.9-120.7-106.2 132.2 47.5 -20.1 27.1 65 86 A K E +D 60 0B 113 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.568 39.3 164.4 -77.3 126.7 47.0 -22.8 29.7 66 87 A V E + 0 0 35 -7,-2.8 2,-0.3 -2,-0.3 -6,-0.2 0.487 60.0 14.6-117.8 -10.4 43.3 -23.7 30.1 67 88 A A E -D 59 0B 13 -8,-1.3 -8,-3.1 13,-0.1 -1,-0.3 -0.990 52.6-178.4-164.1 157.7 43.3 -27.0 32.0 68 89 A T E +D 58 0B 89 -2,-0.3 2,-0.3 -10,-0.3 -10,-0.2 -0.960 17.4 136.5-154.7 156.7 45.5 -29.4 34.0 69 90 A G E -D 57 0B 24 -12,-1.5 -12,-2.2 -2,-0.3 2,-0.3 -0.979 50.4 -49.0 178.4-170.5 45.1 -32.8 35.6 70 91 A A E -D 56 0B 68 -2,-0.3 -14,-0.3 -14,-0.2 2,-0.2 -0.655 43.0-129.2 -89.6 137.7 46.6 -36.2 36.3 71 92 A I - 0 0 17 -16,-1.9 2,-0.4 -2,-0.3 3,-0.1 -0.559 19.6-155.7 -74.9 138.9 48.1 -38.4 33.6 72 93 A T > - 0 0 85 1,-0.3 3,-1.0 -2,-0.2 2,-0.1 -0.609 42.2 -80.2-123.4 73.7 46.7 -41.9 33.8 73 94 A G T 3 S- 0 0 41 -2,-0.4 -1,-0.3 -19,-0.3 3,-0.1 -0.439 98.2 -17.9 73.8-141.2 49.0 -44.4 32.3 74 95 A S T 3 S+ 0 0 67 1,-0.2 -26,-2.3 -2,-0.1 2,-0.3 0.466 134.5 37.8 -89.0 -7.3 49.1 -44.9 28.5 75 96 A Q E < +B 47 0A 114 -3,-1.0 2,-0.3 -28,-0.2 -28,-0.2 -0.960 66.4 177.3-148.8 137.7 45.7 -43.2 27.9 76 97 A T E -B 46 0A 2 -30,-2.4 -30,-2.5 -2,-0.3 2,-0.5 -0.967 20.1-145.2-142.2 145.2 44.2 -40.2 29.6 77 98 A T E -B 45 0A 59 -2,-0.3 2,-0.6 -32,-0.2 -32,-0.2 -0.965 10.3-157.2-116.9 123.2 41.0 -38.1 29.3 78 99 A A E -B 44 0A 0 -34,-3.0 -34,-2.9 -2,-0.5 2,-0.4 -0.955 15.1-176.9 -99.3 119.8 41.2 -34.4 30.0 79 100 A S E +B 43 0A 76 -2,-0.6 2,-0.3 -36,-0.2 -36,-0.2 -0.973 17.9 138.5-115.6 128.7 37.8 -33.0 31.0 80 101 A F E -B 42 0A 27 -38,-2.2 -38,-3.2 -2,-0.4 2,-0.3 -0.938 43.7-112.5-159.7 173.3 37.3 -29.3 31.6 81 102 A E E -B 41 0A 100 -2,-0.3 2,-0.4 -40,-0.2 -40,-0.2 -0.867 23.9-169.0-119.3 146.6 34.8 -26.5 30.9 82 103 A Y E -B 40 0A 56 -42,-2.0 -42,-3.0 -2,-0.3 -2,-0.0 -0.976 13.2-165.9-142.7 137.0 35.3 -23.5 28.7 83 104 A G + 0 0 32 -2,-0.4 2,-0.5 -44,-0.2 -1,-0.1 0.517 63.7 78.1 -99.4 -9.7 33.2 -20.4 28.2 84 105 A Q - 0 0 112 -44,-0.1 -1,-0.1 28,-0.0 28,-0.0 -0.902 68.7-137.3-113.0 121.3 34.4 -18.7 25.1 85 106 A G + 0 0 1 -2,-0.5 2,-0.3 24,-0.0 26,-0.2 -0.375 49.9 104.9 -69.6 150.6 33.4 -19.9 21.5 86 107 A G E - F 0 110B 7 24,-2.1 24,-2.9 2,-0.1 2,-0.5 -0.941 69.4 -86.9 164.5 177.9 36.2 -20.0 19.0 87 108 A L E - F 0 109B 46 29,-0.4 2,-0.3 -2,-0.3 22,-0.2 -0.987 50.8-178.4-115.0 124.8 38.6 -22.0 16.9 88 109 A Y E - F 0 108B 27 20,-2.6 20,-2.5 -2,-0.5 2,-0.7 -0.931 34.7-123.0-128.2 151.5 41.8 -22.6 18.8 89 110 A Q E - F 0 107B 78 -2,-0.3 -27,-2.2 18,-0.2 -26,-0.4 -0.840 39.8-161.7 -87.7 116.3 45.2 -24.3 18.3 90 111 A M E -EF 61 106B 0 16,-3.4 16,-2.1 -2,-0.7 2,-0.4 -0.832 14.8-179.4-105.2 141.4 45.3 -26.8 21.2 91 112 A E E -E 60 0B 45 -31,-1.9 -31,-2.9 -2,-0.4 2,-0.5 -0.970 14.5-150.8-129.2 148.7 48.5 -28.5 22.5 92 113 A I E -E 59 0B 0 -2,-0.4 11,-2.4 -33,-0.2 2,-0.4 -0.989 12.3-161.9-120.9 126.3 48.6 -31.1 25.3 93 114 A E E -EG 58 102B 24 -35,-2.8 -35,-2.1 -2,-0.5 2,-0.4 -0.884 5.5-154.5-108.5 137.5 51.8 -31.2 27.4 94 115 A A E -EG 57 101B 0 7,-2.4 7,-2.9 -2,-0.4 2,-0.3 -0.936 20.8-175.7-108.2 137.0 52.8 -34.2 29.7 95 116 A a E +EG 56 100B 11 -39,-3.0 -39,-2.3 -2,-0.4 -40,-2.3 -0.943 15.4 157.4-132.1 149.0 55.2 -33.3 32.6 96 117 A D E > - G 0 99B 37 3,-2.3 3,-1.2 -2,-0.3 -2,-0.0 -0.807 63.1 -66.2-142.0-165.5 57.1 -35.1 35.4 97 118 A A T 3 S+ 0 0 103 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.904 129.3 50.2 -44.9 -49.3 60.2 -34.4 37.6 98 119 A T T 3 S- 0 0 100 1,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.359 121.7 -63.6 -85.2 3.9 62.5 -34.5 34.5 99 120 A G E < -G 96 0B 29 -3,-1.2 -3,-2.3 -98,-0.1 2,-0.3 -0.856 47.0 -90.7 144.2-179.2 60.8 -32.2 32.1 100 121 A a E -G 95 0B 65 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.3 -0.966 25.3-160.4-128.0 150.9 57.6 -31.5 30.0 101 122 A S E -G 94 0B 28 -7,-2.9 -7,-2.4 -2,-0.3 2,-0.3 -0.983 9.1-144.6-137.0 137.3 56.8 -32.4 26.4 102 123 A K E -G 93 0B 82 -2,-0.4 -9,-0.3 -9,-0.2 -98,-0.1 -0.623 12.6-127.2-101.6 141.2 54.1 -30.9 24.1 103 124 A S - 0 0 8 -11,-2.4 -97,-0.1 -2,-0.3 -1,-0.1 -0.323 41.0 -91.4 -63.5 162.8 51.9 -32.5 21.5 104 125 A A - 0 0 82 -99,-0.3 -12,-0.2 1,-0.1 -97,-0.1 -0.501 58.9 -94.7 -67.4 149.2 51.8 -31.2 17.9 105 126 A P - 0 0 74 0, 0.0 2,-0.3 0, 0.0 -14,-0.2 -0.373 42.6-174.6 -74.2 155.2 49.0 -28.6 17.7 106 127 A V E - 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