==== 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 3ART . 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) . 22506.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 379 66.5 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 . 70 12.3 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 . 43 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 18.6 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 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 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 2 4 1 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 71 0, 0.0 51,-0.3 0, 0.0 99,-0.1 0.000 360.0 360.0 360.0 -4.9 69.8 -3.0 41.9 2 23 A P - 0 0 4 0, 0.0 51,-0.2 0, 0.0 2,-0.2 -0.389 360.0 -81.8 -65.7 161.1 66.6 -3.4 43.8 3 24 A T - 0 0 37 49,-2.6 98,-0.2 47,-0.2 91,-0.0 -0.471 53.1-103.3 -56.3 135.8 64.6 -6.5 42.8 4 25 A A - 0 0 43 -2,-0.2 98,-0.2 98,-0.1 89,-0.1 -0.486 43.4-108.7 -61.7 129.2 62.5 -5.8 39.7 5 26 A P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 99,-0.2 -0.325 24.3-149.8 -57.4 138.7 58.7 -5.2 40.7 6 27 A S E -A 47 0A 57 41,-2.3 41,-2.5 97,-0.1 2,-0.3 -0.979 22.3-122.8-101.4 136.4 56.1 -7.9 39.8 7 28 A I E -A 46 0A 36 -2,-0.4 2,-1.1 39,-0.2 39,-0.3 -0.565 10.0-138.6 -77.8 131.7 52.7 -6.5 39.2 8 29 A D - 0 0 46 37,-2.7 37,-0.5 -2,-0.3 4,-0.3 -0.782 22.9-172.1 -86.1 96.5 49.9 -7.9 41.4 9 30 A M S > >S+ 0 0 73 -2,-1.1 5,-2.4 1,-0.2 3,-1.0 0.909 79.5 42.2 -58.2 -51.7 47.2 -8.3 38.7 10 31 A Y G > 5S+ 0 0 189 1,-0.3 3,-0.8 3,-0.2 -1,-0.2 0.800 113.3 53.6 -72.6 -27.9 44.2 -9.2 40.9 11 32 A G G 3 5S+ 0 0 26 1,-0.2 -1,-0.3 34,-0.1 -2,-0.2 0.492 105.8 56.2 -82.1 -0.8 45.2 -6.6 43.5 12 33 A S G X 5S- 0 0 3 -3,-1.0 3,-2.6 -4,-0.3 4,-0.4 -0.118 123.1-101.0-117.1 36.7 45.2 -4.0 40.7 13 34 A N G X 5S- 0 0 92 -3,-0.8 3,-1.9 1,-0.3 -3,-0.2 0.847 73.7 -66.0 46.6 40.4 41.7 -4.6 39.5 14 35 A N G 3 > - 0 0 1 -2,-0.2 4,-2.2 1,-0.1 3,-0.6 -0.293 55.2-119.1 -67.3 146.5 20.3 7.5 41.2 30 51 A Y H 3> S+ 0 0 17 165,-3.4 4,-2.3 1,-0.2 166,-0.1 0.887 110.6 53.7 -57.9 -45.2 22.1 8.6 38.1 31 52 A N H 34 S+ 0 0 56 166,-0.3 -1,-0.2 164,-0.3 167,-0.1 0.802 112.0 46.3 -63.0 -30.2 24.5 11.0 39.8 32 53 A D H <4 S+ 0 0 108 -3,-0.6 -2,-0.2 165,-0.3 -1,-0.2 0.882 117.0 43.1 -72.0 -41.9 25.7 8.2 42.2 33 54 A M H < S+ 0 0 3 -4,-2.2 -10,-1.7 1,-0.2 2,-0.5 0.781 114.0 47.7 -75.2 -31.1 26.0 5.5 39.4 34 55 A V E < +H 22 0C 11 -4,-2.3 2,-0.4 -12,-0.2 -12,-0.2 -0.946 57.2 161.6-124.3 110.0 27.8 7.6 36.7 35 56 A K E -H 21 0C 90 -14,-2.3 -14,-3.4 -2,-0.5 2,-0.4 -0.967 20.1-158.0-130.8 118.5 30.8 9.9 37.3 36 57 A Y E -H 20 0C 39 -2,-0.4 2,-0.4 -16,-0.2 -16,-0.2 -0.767 11.4-163.1 -88.6 134.8 33.0 11.0 34.5 37 58 A H - 0 0 49 -18,-3.1 -2,-0.0 -2,-0.4 3,-0.0 -0.980 23.5-141.6-122.6 133.2 36.6 12.1 35.5 38 59 A E S S+ 0 0 132 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.803 98.1 37.1 -54.9 -32.4 39.0 14.2 33.4 39 60 A L S S- 0 0 76 -20,-0.1 44,-0.2 -21,-0.1 2,-0.2 -0.996 88.5-128.0-126.4 123.8 41.8 12.0 34.7 40 61 A A E - B 0 82A 0 42,-2.5 42,-1.7 -2,-0.4 2,-0.6 -0.520 23.7-124.1 -65.2 134.4 41.4 8.3 35.3 41 62 A K E - B 0 81A 123 -23,-0.5 2,-0.4 -2,-0.2 -23,-0.4 -0.771 29.7-163.1 -80.6 121.4 42.5 7.1 38.8 42 63 A I E - B 0 80A 2 38,-3.3 38,-2.1 -2,-0.6 2,-0.4 -0.917 10.9-179.1-108.6 136.2 45.1 4.4 38.3 43 64 A K E + B 0 79A 113 -2,-0.4 2,-0.5 36,-0.2 36,-0.2 -0.941 3.9 174.4-139.0 115.5 46.0 2.1 41.2 44 65 A V E - B 0 78A 0 34,-2.8 34,-3.3 -2,-0.4 2,-0.4 -0.962 13.4-160.5-131.5 116.2 48.7 -0.6 40.8 45 66 A K E + B 0 77A 82 -2,-0.5 -37,-2.7 -37,-0.5 2,-0.3 -0.804 15.9 178.7 -92.1 143.2 50.0 -2.8 43.5 46 67 A F E -AB 7 76A 1 30,-2.3 30,-2.5 -2,-0.4 2,-0.3 -0.944 14.6-142.9-142.7 154.5 53.4 -4.6 43.0 47 68 A N E -AB 6 75A 9 -41,-2.5 -41,-2.3 -2,-0.3 28,-0.2 -0.851 14.8-171.2-117.8 153.1 55.5 -6.9 45.0 48 69 A Q + 0 0 3 26,-2.6 -45,-0.1 -2,-0.3 27,-0.0 -0.733 20.2 169.5-138.4 78.0 59.3 -7.3 45.5 49 70 A W + 0 0 186 -2,-0.2 2,-0.3 4,-0.0 -1,-0.1 0.864 58.9 43.1 -63.6 -40.5 59.3 -10.6 47.5 50 71 A S S S- 0 0 84 2,-0.1 -47,-0.2 24,-0.1 0, 0.0 -0.742 105.9 -1.0-109.5 159.1 63.1 -11.2 47.4 51 72 A G S S- 0 0 72 -2,-0.3 2,-0.3 -49,-0.1 -3,-0.1 -0.287 105.6 -23.4 70.0-152.6 66.2 -9.1 47.8 52 73 A T - 0 0 87 -51,-0.3 -49,-2.6 1,-0.1 -2,-0.1 -0.657 42.7-145.8-102.7 154.7 65.9 -5.4 48.5 53 74 A S - 0 0 31 -2,-0.3 3,-0.1 1,-0.2 20,-0.1 0.729 32.8-148.6 -87.9 -27.3 63.0 -3.1 47.6 54 75 A G - 0 0 18 1,-0.1 42,-0.3 40,-0.1 -1,-0.2 -0.379 24.5 -92.9 76.2-162.8 65.0 0.1 46.9 55 76 A D S S+ 0 0 79 40,-3.0 16,-2.1 1,-0.2 2,-0.3 0.583 91.3 39.3-129.2 -17.0 63.6 3.5 47.6 56 77 A T E -DE 70 95B 48 39,-2.4 39,-3.2 14,-0.3 2,-0.3 -0.997 55.1-157.5-140.8 147.2 61.8 4.9 44.5 57 78 A Y E -DE 69 94B 17 12,-2.4 12,-1.4 -2,-0.3 2,-0.4 -0.916 2.4-163.0-118.1 149.2 59.5 3.7 41.7 58 79 A N E -DE 68 93B 17 35,-1.6 35,-2.6 -2,-0.3 2,-0.5 -0.997 11.2-147.0-125.8 137.0 58.8 5.1 38.2 59 80 A V E -DE 67 92B 0 8,-2.5 7,-3.1 -2,-0.4 8,-1.2 -0.879 14.1-165.2-104.4 131.7 55.8 4.0 36.1 60 81 A Y E -DE 65 91B 32 31,-3.2 31,-2.1 -2,-0.5 2,-0.5 -0.941 12.0-165.1-115.3 139.8 56.1 3.9 32.3 61 82 A F E > S-DE 64 90B 3 3,-2.9 3,-2.2 -2,-0.4 29,-0.2 -0.988 85.3 -18.3-115.3 121.3 53.4 3.7 29.6 62 83 A D T 3 S- 0 0 92 27,-2.8 -1,-0.1 -2,-0.5 28,-0.1 0.879 131.0 -51.1 54.8 37.2 54.8 2.7 26.1 63 84 A G T 3 S+ 0 0 52 26,-0.5 2,-0.4 1,-0.2 -1,-0.3 0.433 116.1 117.2 81.0 -1.3 58.3 3.8 27.3 64 85 A V E < -D 61 0B 97 -3,-2.2 -3,-2.9 2,-0.0 2,-0.3 -0.834 68.8-117.7-105.1 132.7 57.1 7.2 28.6 65 86 A K E +D 60 0B 123 -2,-0.4 -5,-0.2 -5,-0.3 3,-0.1 -0.574 41.3 159.5 -69.3 128.4 57.3 8.2 32.3 66 87 A V E + 0 0 37 -7,-3.1 2,-0.3 -2,-0.3 15,-0.2 0.465 58.1 16.2-126.7 -13.0 53.9 8.8 33.9 67 88 A A E -D 59 0B 12 -8,-1.2 -8,-2.5 13,-0.1 -1,-0.3 -0.991 48.7-176.9-158.3 157.0 54.3 8.5 37.6 68 89 A T E +D 58 0B 70 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.942 17.2 143.3-146.6 165.9 56.8 8.3 40.5 69 90 A G E -D 57 0B 26 -12,-1.4 -12,-2.4 -2,-0.3 2,-0.3 -0.953 46.1 -62.7 179.6-173.9 56.6 7.8 44.2 70 91 A A E -D 56 0B 73 -2,-0.3 2,-0.5 -14,-0.2 -14,-0.3 -0.592 28.2-153.9 -95.8 141.8 58.3 6.2 47.2 71 92 A I + 0 0 7 -16,-2.1 5,-0.1 -2,-0.3 3,-0.1 -0.964 23.4 161.7-107.8 137.8 58.9 2.6 47.9 72 93 A T + 0 0 145 -2,-0.5 2,-0.2 3,-0.2 -1,-0.1 0.440 58.3 5.0-137.7 1.9 59.2 1.8 51.5 73 94 A G S S- 0 0 27 -20,-0.1 -1,-0.1 -21,-0.0 3,-0.0 -0.863 89.7 -70.0-161.2-162.8 58.7 -2.0 51.7 74 95 A S S S+ 0 0 61 -2,-0.2 -26,-2.6 1,-0.1 2,-0.4 0.583 117.2 46.6 -81.3 -5.1 58.2 -5.4 50.0 75 96 A Q E -B 47 0A 142 -28,-0.2 2,-0.4 -26,-0.0 -28,-0.2 -0.995 69.5-179.9-136.3 125.3 54.7 -4.3 48.8 76 97 A T E -B 46 0A 13 -30,-2.5 -30,-2.3 -2,-0.4 2,-0.6 -0.986 19.9-151.3-130.7 142.4 53.8 -1.0 47.2 77 98 A T E -B 45 0A 66 -2,-0.4 2,-0.7 -32,-0.2 -32,-0.3 -0.943 14.9-157.2-108.1 116.7 50.6 0.6 45.9 78 99 A A E -B 44 0A 0 -34,-3.3 -34,-2.8 -2,-0.6 2,-0.4 -0.861 13.6-178.0 -91.7 114.9 51.2 3.1 43.1 79 100 A S E +B 43 0A 76 -2,-0.7 2,-0.3 -36,-0.2 -36,-0.2 -0.952 18.8 133.1-114.5 133.8 48.4 5.6 42.7 80 101 A F E -B 42 0A 27 -38,-2.1 -38,-3.3 -2,-0.4 2,-0.3 -0.928 45.2-107.9-161.6 179.2 48.4 8.3 40.0 81 102 A E E -B 41 0A 112 -2,-0.3 2,-0.3 -40,-0.2 -40,-0.2 -0.905 21.5-171.9-124.2 148.1 46.2 9.9 37.4 82 103 A Y E -B 40 0A 61 -42,-1.7 -42,-2.5 -2,-0.3 -2,-0.0 -0.989 11.5-156.5-142.9 134.0 46.2 9.6 33.6 83 104 A G + 0 0 27 -2,-0.3 2,-0.5 -44,-0.2 -1,-0.1 0.543 63.6 76.0 -89.2 -7.8 44.1 11.6 31.1 84 105 A Q - 0 0 110 -44,-0.1 2,-0.0 28,-0.0 28,-0.0 -0.888 68.2-130.4-122.0 129.7 44.0 9.6 27.9 85 106 A G + 0 0 5 -2,-0.5 2,-0.3 24,-0.0 26,-0.2 -0.365 56.7 78.0 -68.6 151.2 42.0 6.5 27.0 86 107 A G E S- F 0 110B 7 24,-2.4 24,-3.0 2,-0.1 2,-0.4 -0.913 75.4 -66.4 148.9-170.7 43.7 3.5 25.4 87 108 A L E + F 0 109B 67 -2,-0.3 2,-0.3 29,-0.3 22,-0.2 -0.960 49.1 179.0-115.8 138.9 45.8 0.4 25.9 88 109 A Y E - F 0 108B 23 20,-2.0 20,-3.4 -2,-0.4 2,-0.7 -0.977 34.1-115.9-142.8 156.4 49.4 0.8 27.0 89 110 A Q E - F 0 107B 78 -2,-0.3 -27,-2.8 18,-0.2 -26,-0.5 -0.772 38.8-154.9 -91.6 112.2 52.4 -1.3 27.8 90 111 A M E +EF 61 106B 0 16,-3.9 16,-1.8 -2,-0.7 2,-0.4 -0.821 17.8 176.3-100.8 133.5 53.1 -0.7 31.4 91 112 A E E -E 60 0B 42 -31,-2.1 -31,-3.2 -2,-0.5 2,-0.4 -0.978 9.9-162.8-124.4 141.5 56.5 -1.1 33.0 92 113 A I E -E 59 0B 0 -2,-0.4 11,-2.9 12,-0.2 2,-0.4 -0.997 8.8-163.2-124.0 129.6 57.3 -0.3 36.7 93 114 A E E -EG 58 102B 14 -35,-2.6 -35,-1.6 -2,-0.4 2,-0.4 -0.865 9.8-147.3-112.2 145.0 60.9 0.2 37.9 94 115 A A E -EG 57 101B 0 7,-2.0 7,-2.0 -2,-0.4 2,-0.4 -0.949 21.4-168.3-105.7 134.5 62.4 0.2 41.3 95 116 A a E +EG 56 100B 11 -39,-3.2 -40,-3.0 -2,-0.4 -39,-2.4 -0.950 16.7 172.6-125.4 142.2 65.4 2.4 42.1 96 117 A D E > - G 0 99B 40 3,-2.3 3,-1.0 -2,-0.4 -2,-0.0 -0.687 60.5 -77.9-124.3-172.8 68.0 2.9 44.8 97 118 A A T 3 S+ 0 0 107 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.599 129.0 50.4 -67.1 -7.7 71.1 5.1 44.8 98 119 A T T 3 S- 0 0 116 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.640 121.1 -57.7-104.7 -17.4 73.0 2.5 42.6 99 120 A G E < -G 96 0B 29 -3,-1.0 -3,-2.3 2,-0.0 -1,-0.3 -0.969 50.0 -88.0 160.4-170.9 70.5 1.9 39.7 100 121 A a E -G 95 0B 65 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.886 17.0-154.1-134.0 154.3 66.9 0.8 38.7 101 122 A S E -G 94 0B 28 -7,-2.0 -7,-2.0 -2,-0.3 2,-0.3 -0.952 16.1-147.8-138.5 113.4 65.2 -2.5 37.8 102 123 A K E -G 93 0B 100 -2,-0.4 -9,-0.3 -9,-0.3 -98,-0.1 -0.618 13.9-124.4 -85.0 135.0 62.1 -2.6 35.4 103 124 A S - 0 0 7 -11,-2.9 -97,-0.1 -2,-0.3 3,-0.1 -0.341 43.5 -92.2 -57.3 148.9 59.3 -5.2 35.6 104 125 A A - 0 0 80 -99,-0.2 -12,-0.2 1,-0.1 -1,-0.1 -0.354 60.3 -89.9 -52.9 153.4 58.6 -7.0 32.4 105 126 A P - 0 0 75 0, 0.0 2,-0.3 0, 0.0 -14,-0.2 -0.374 47.3-175.6 -75.0 154.3 56.0 -5.1 30.4 106 127 A V E - 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0 0 39 -3,-2.0 3,-0.1 118,-0.1 -31,-0.1 -0.759 68.1-129.8-112.0 148.1 38.2 -1.2 22.2 119 140 A K - 0 0 168 -2,-0.3 121,-0.2 1,-0.1 122,-0.2 -0.519 52.4 -77.9 -79.4 155.3 38.5 -3.5 19.1 120 141 A P - 0 0 74 0, 0.0 118,-0.2 0, 0.0 -1,-0.1 -0.353 64.0 -98.4 -51.4 134.1 36.1 -3.1 16.2 121 142 A L - 0 0 10 116,-1.8 2,-0.5 113,-0.2 99,-0.1 -0.337 29.7-123.8 -57.7 137.5 32.9 -5.0 17.3 122 143 A T - 0 0 106 97,-0.3 2,-0.2 -3,-0.1 -1,-0.1 -0.776 33.2-141.2 -84.0 121.7 32.4 -8.5 16.0 123 144 A M - 0 0 43 -2,-0.5 35,-0.2 35,-0.1 34,-0.1 -0.512 26.6-176.9 -87.8 153.5 29.0 -8.7 14.2 124 145 A N + 0 0 111 33,-2.6 2,-0.3 -2,-0.2 -2,-0.0 -0.526 25.9 166.4-145.5 68.4 26.3 -11.4 14.1 125 146 A V - 0 0 45 1,-0.1 34,-0.1 34,-0.1 33,-0.1 -0.703 46.8-103.4 -91.3 134.0 23.7 -10.0 11.6 126 147 A D > - 0 0 81 32,-0.4 3,-1.9 -2,-0.3 -1,-0.1 -0.336 30.8-137.2 -48.4 123.2 20.9 -12.1 10.0 127 148 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.2 0, 0.0 429,-0.1 0.623 95.6 83.1 -71.8 -10.9 22.2 -12.7 6.4 128 149 A N T 3 S+ 0 0 63 427,-0.2 2,-0.6 2,-0.1 428,-0.1 0.740 73.0 91.4 -54.0 -23.0 18.7 -12.0 5.0 129 150 A N S < S- 0 0 26 -3,-1.9 428,-0.1 426,-0.1 427,-0.1 -0.680 78.9-146.3 -70.2 118.5 20.0 -8.4 5.3 130 151 A K - 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