==== 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 3ARR . 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) . 22441.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 381 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 12.5 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 . 72 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 18.5 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 3 3 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 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 68 0, 0.0 51,-0.3 0, 0.0 99,-0.1 0.000 360.0 360.0 360.0 -5.3 61.0 -35.8 29.0 2 23 A P - 0 0 3 0, 0.0 51,-0.2 0, 0.0 2,-0.2 -0.386 360.0 -83.4 -66.8 168.7 57.7 -37.7 29.1 3 24 A T - 0 0 30 49,-3.6 98,-0.2 47,-0.2 48,-0.0 -0.485 50.1-106.4 -63.8 135.4 56.6 -38.9 25.8 4 25 A A - 0 0 41 -2,-0.2 98,-0.2 98,-0.1 89,-0.1 -0.429 42.3-110.0 -65.3 133.2 54.6 -36.1 23.9 5 26 A P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 99,-0.4 -0.221 21.8-145.2 -62.6 150.5 50.9 -36.9 23.8 6 27 A S E -A 47 0A 72 41,-2.4 41,-2.6 97,-0.1 2,-0.3 -0.976 21.7-123.5-114.3 127.9 49.1 -38.0 20.6 7 28 A I E -A 46 0A 34 -2,-0.4 2,-1.2 39,-0.2 39,-0.2 -0.621 9.5-142.9 -83.4 128.2 45.5 -36.8 20.3 8 29 A D > - 0 0 57 37,-2.6 4,-0.7 -2,-0.3 37,-0.5 -0.747 16.6-169.2 -88.3 83.2 42.8 -39.5 19.7 9 30 A M T >4>S+ 0 0 84 -2,-1.2 5,-2.4 1,-0.2 3,-0.9 0.834 79.4 49.1 -38.0 -55.0 40.5 -37.6 17.3 10 31 A Y G >45S+ 0 0 196 1,-0.2 3,-1.1 3,-0.2 -1,-0.2 0.873 110.5 46.7 -65.7 -40.7 37.6 -40.1 17.5 11 32 A G G 345S+ 0 0 20 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.480 109.9 58.8 -77.5 2.0 37.3 -40.4 21.3 12 33 A S G X<5S- 0 0 2 -3,-0.9 3,-2.3 -4,-0.7 4,-0.3 -0.034 120.7-108.6-115.8 25.8 37.4 -36.6 21.4 13 34 A N G X 5 - 0 0 93 -3,-1.1 3,-2.0 1,-0.3 -3,-0.2 0.845 69.6 -64.4 54.1 38.4 34.4 -36.3 19.2 14 35 A N G 3 > - 0 0 0 -2,-0.2 4,-1.5 1,-0.1 3,-0.9 -0.278 59.6-112.6 -70.3 155.2 9.7 -30.6 21.8 30 51 A Y H 3> S+ 0 0 23 165,-2.7 4,-2.0 1,-0.3 3,-0.3 0.849 117.4 51.4 -56.0 -42.3 11.9 -27.5 21.5 31 52 A N H 34 S+ 0 0 53 166,-0.4 -1,-0.3 164,-0.3 167,-0.1 0.711 112.5 49.0 -73.4 -20.5 13.0 -27.5 25.2 32 53 A D H <4 S+ 0 0 102 -3,-0.9 -1,-0.2 165,-0.3 -2,-0.2 0.784 117.0 39.7 -81.3 -27.2 14.1 -31.2 24.7 33 54 A M H < S+ 0 0 4 -4,-1.5 -10,-2.1 -3,-0.3 2,-0.4 0.702 115.2 48.3 -96.0 -25.0 16.0 -30.6 21.5 34 55 A V E < +H 22 0C 11 -4,-2.0 2,-0.4 -12,-0.2 -12,-0.2 -0.978 54.2 164.2-128.3 120.8 17.8 -27.2 22.3 35 56 A K E -H 21 0C 81 -14,-2.2 -14,-3.4 -2,-0.4 2,-0.5 -0.970 20.4-156.6-139.6 110.9 19.7 -26.6 25.6 36 57 A Y E -H 20 0C 44 -2,-0.4 2,-0.4 -16,-0.2 -16,-0.2 -0.811 12.4-164.5 -89.7 133.6 22.1 -23.5 25.7 37 58 A H - 0 0 79 -18,-3.2 -2,-0.0 -2,-0.5 3,-0.0 -0.935 25.2-140.0-118.1 146.4 24.9 -23.8 28.3 38 59 A E S S+ 0 0 125 -2,-0.4 2,-0.4 1,-0.1 -1,-0.1 0.812 95.6 40.4 -68.9 -24.1 27.1 -21.0 29.6 39 60 A L S S- 0 0 81 -20,-0.1 2,-0.3 -21,-0.1 44,-0.2 -0.977 79.7-138.2-127.4 131.1 30.1 -23.4 29.5 40 61 A A E - B 0 82A 1 42,-2.9 42,-2.0 -2,-0.4 2,-0.5 -0.685 22.4-126.6 -77.7 146.0 30.9 -26.0 26.9 41 62 A K E - B 0 81A 161 -23,-0.5 2,-0.4 -2,-0.3 -23,-0.4 -0.801 26.4-164.5 -95.4 126.9 32.0 -29.4 28.1 42 63 A I E + B 0 80A 3 38,-3.2 38,-2.1 -2,-0.5 2,-0.4 -0.929 12.7 175.8-116.4 130.6 35.3 -30.4 26.5 43 64 A K E + B 0 79A 114 -2,-0.4 2,-0.4 36,-0.2 36,-0.2 -0.917 4.2 179.4-138.8 112.9 36.6 -33.9 26.7 44 65 A V E - B 0 78A 0 34,-2.7 34,-3.2 -2,-0.4 2,-0.5 -0.959 13.2-153.9-120.9 126.3 39.8 -34.8 24.8 45 66 A K E + B 0 77A 72 -37,-0.5 -37,-2.6 -2,-0.4 2,-0.3 -0.860 19.7 173.2-100.2 135.9 41.3 -38.2 24.8 46 67 A F E -AB 7 76A 2 30,-2.6 30,-2.4 -2,-0.5 2,-0.3 -0.927 13.9-150.2-138.0 160.9 45.0 -38.6 24.2 47 68 A N E -AB 6 75A 21 -41,-2.6 -41,-2.4 -2,-0.3 28,-0.2 -0.928 16.2-168.5-136.7 160.6 47.6 -41.4 24.4 48 69 A Q + 0 0 7 26,-2.6 -45,-0.1 -2,-0.3 5,-0.1 -0.691 20.3 163.5-143.7 78.9 51.2 -42.1 25.1 49 70 A W + 0 0 209 -2,-0.2 2,-0.2 3,-0.0 -1,-0.1 0.755 60.1 54.0 -79.8 -21.7 52.0 -45.6 23.9 50 71 A S S S- 0 0 78 2,-0.1 -47,-0.2 24,-0.1 0, 0.0 -0.619 105.0 -8.7-109.4 164.5 55.8 -45.3 23.9 51 72 A G S S- 0 0 72 -2,-0.2 2,-0.4 -49,-0.1 -3,-0.1 -0.051 107.4 -25.5 52.9-143.9 58.3 -44.2 26.5 52 73 A T - 0 0 88 -51,-0.3 -49,-3.6 1,-0.1 -2,-0.1 -0.857 44.1-150.2-112.8 146.0 57.1 -42.8 29.7 53 74 A S - 0 0 29 -2,-0.4 -1,-0.1 -51,-0.2 42,-0.1 0.719 32.2-145.2 -86.0 -18.7 53.8 -40.9 30.3 54 75 A G - 0 0 15 1,-0.1 19,-0.3 40,-0.1 42,-0.2 -0.361 23.6 -86.0 76.2-170.9 54.7 -38.5 33.1 55 76 A D S S+ 0 0 102 40,-2.3 16,-2.2 1,-0.2 2,-0.3 0.747 95.6 26.4-110.6 -41.4 52.6 -37.3 36.0 56 77 A T E -DE 70 95B 59 39,-2.2 39,-2.9 14,-0.3 2,-0.3 -0.938 56.9-152.8-134.6 153.7 50.6 -34.3 34.9 57 78 A Y E -DE 69 94B 17 12,-2.6 12,-1.8 -2,-0.3 2,-0.4 -0.891 4.5-161.7-119.1 156.8 49.2 -32.9 31.6 58 79 A N E -DE 68 93B 12 35,-2.0 35,-2.9 -2,-0.3 2,-0.4 -0.996 10.6-147.3-129.3 143.8 48.4 -29.2 30.7 59 80 A V E -DE 67 92B 0 8,-3.1 7,-3.3 -2,-0.4 8,-1.3 -0.925 14.8-164.1-113.0 136.8 46.1 -28.3 27.8 60 81 A Y E -DE 65 91B 32 31,-3.0 31,-1.8 -2,-0.4 2,-0.5 -0.925 12.0-163.3-122.4 136.9 46.9 -25.0 25.9 61 82 A F E > S-DE 64 90B 4 3,-2.6 3,-2.2 -2,-0.4 29,-0.2 -0.998 87.1 -19.7-114.8 120.1 44.6 -23.0 23.5 62 83 A D T 3 S- 0 0 95 27,-2.3 28,-0.1 -2,-0.5 -1,-0.1 0.877 130.6 -50.7 46.5 43.5 46.7 -20.6 21.4 63 84 A G T 3 S+ 0 0 53 26,-0.5 2,-0.4 1,-0.2 -1,-0.3 0.452 114.1 115.7 81.1 -0.5 49.6 -20.9 24.0 64 85 A V E < S-D 61 0B 90 -3,-2.2 -3,-2.6 2,-0.0 2,-0.3 -0.882 70.2-120.7-105.6 131.1 47.4 -20.1 27.0 65 86 A K E +D 60 0B 117 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.548 38.9 164.9 -76.9 126.9 47.0 -22.9 29.6 66 87 A V E + 0 0 34 -7,-3.3 2,-0.3 1,-0.3 15,-0.2 0.452 59.8 15.0-118.9 -8.6 43.2 -23.8 30.0 67 88 A A E -D 59 0B 14 -8,-1.3 -8,-3.1 13,-0.1 -1,-0.3 -0.979 53.9-175.5-163.5 156.5 43.3 -27.1 31.8 68 89 A T E +D 58 0B 89 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.964 18.8 132.4-150.6 157.2 45.5 -29.3 33.9 69 90 A G E -D 57 0B 24 -12,-1.8 -12,-2.6 -2,-0.3 2,-0.3 -0.979 50.4 -50.1 178.8-169.5 45.2 -32.8 35.5 70 91 A A E -D 56 0B 64 -2,-0.3 -14,-0.3 -14,-0.2 2,-0.2 -0.684 41.9-126.0 -93.5 138.7 46.8 -36.2 36.1 71 92 A I - 0 0 17 -16,-2.2 2,-0.4 -2,-0.3 3,-0.1 -0.569 20.9-155.5 -70.6 134.8 48.2 -38.5 33.4 72 93 A T > - 0 0 87 -2,-0.2 3,-1.1 1,-0.2 2,-0.1 -0.657 45.4 -80.8-117.4 75.3 46.6 -41.9 33.7 73 94 A G T 3 S- 0 0 43 -2,-0.4 -1,-0.2 -19,-0.3 3,-0.1 -0.444 98.1 -17.2 70.2-138.5 49.0 -44.4 32.2 74 95 A S T 3 S+ 0 0 63 1,-0.2 -26,-2.6 -2,-0.1 2,-0.4 0.514 134.7 38.1 -89.1 -6.2 49.1 -44.8 28.4 75 96 A Q E < +B 47 0A 130 -3,-1.1 2,-0.4 -28,-0.2 -28,-0.2 -0.964 67.0 178.6-150.3 132.3 45.7 -43.2 27.7 76 97 A T E -B 46 0A 3 -30,-2.4 -30,-2.6 -2,-0.4 2,-0.5 -0.960 19.3-145.6-135.2 145.6 44.3 -40.2 29.5 77 98 A T E -B 45 0A 57 -2,-0.4 2,-0.6 -32,-0.2 -32,-0.2 -0.945 10.7-157.8-114.5 124.5 41.0 -38.2 29.2 78 99 A A E -B 44 0A 0 -34,-3.2 -34,-2.7 -2,-0.5 2,-0.4 -0.931 14.6-176.8-102.4 120.4 41.2 -34.5 29.9 79 100 A S E +B 43 0A 79 -2,-0.6 2,-0.3 -36,-0.2 -36,-0.2 -0.958 17.9 135.0-116.2 133.9 37.8 -33.1 30.8 80 101 A F E -B 42 0A 30 -38,-2.1 -38,-3.2 -2,-0.4 2,-0.3 -0.933 44.1-110.2-164.7 177.5 37.2 -29.4 31.5 81 102 A E E -B 41 0A 99 -2,-0.3 2,-0.4 -40,-0.2 -40,-0.2 -0.893 23.3-168.7-123.2 150.7 34.7 -26.6 30.7 82 103 A Y E -B 40 0A 57 -42,-2.0 -42,-2.9 -2,-0.3 -2,-0.0 -0.992 12.6-164.2-149.1 134.8 35.2 -23.5 28.5 83 104 A G + 0 0 33 -2,-0.4 2,-0.6 -44,-0.2 -1,-0.1 0.476 63.8 78.1 -98.8 -8.2 33.1 -20.4 28.1 84 105 A Q - 0 0 109 -44,-0.1 -1,-0.1 28,-0.0 28,-0.0 -0.909 68.3-136.2-117.5 123.5 34.3 -18.8 24.9 85 106 A G + 0 0 2 -2,-0.6 2,-0.3 24,-0.1 26,-0.2 -0.313 51.1 97.2 -67.0 152.5 33.4 -19.9 21.4 86 107 A G E S- F 0 110B 6 24,-2.1 24,-2.7 2,-0.0 2,-0.5 -0.930 71.0 -80.4 159.8-177.7 36.1 -20.0 18.8 87 108 A L E - F 0 109B 47 29,-0.4 2,-0.3 -2,-0.3 22,-0.2 -0.984 49.7-178.2-112.9 128.7 38.6 -22.0 16.8 88 109 A Y E - F 0 108B 28 20,-2.3 20,-2.5 -2,-0.5 2,-0.8 -0.905 34.0-123.7-131.5 151.1 41.8 -22.6 18.8 89 110 A Q E - F 0 107B 79 -2,-0.3 -27,-2.3 18,-0.2 -26,-0.5 -0.878 40.3-158.5 -92.1 115.0 45.1 -24.3 18.1 90 111 A M E -EF 61 106B 0 16,-3.5 16,-2.1 -2,-0.8 2,-0.4 -0.795 16.0-178.7-100.0 134.0 45.3 -26.9 21.0 91 112 A E E -E 60 0B 48 -31,-1.8 -31,-3.0 -2,-0.4 2,-0.5 -0.976 13.3-153.3-118.4 147.8 48.4 -28.5 22.4 92 113 A I E -E 59 0B 0 -2,-0.4 11,-3.1 12,-0.2 2,-0.4 -0.979 13.2-162.6-117.9 128.9 48.5 -31.0 25.2 93 114 A E E -EG 58 102B 17 -35,-2.9 -35,-2.0 -2,-0.5 2,-0.4 -0.854 6.8-152.8-110.1 138.6 51.7 -31.2 27.3 94 115 A A E -EG 57 101B 0 7,-2.6 7,-2.7 -2,-0.4 2,-0.4 -0.960 21.4-171.6-109.8 135.4 52.8 -34.1 29.5 95 116 A a E +EG 56 100B 11 -39,-2.9 -40,-2.3 -2,-0.4 -39,-2.2 -0.959 18.2 150.9-126.8 146.8 55.1 -33.2 32.5 96 117 A D E > - G 0 99B 39 3,-2.9 3,-1.2 -2,-0.4 -2,-0.0 -0.775 63.8 -69.6-140.9-158.4 57.1 -34.8 35.1 97 118 A A T 3 S+ 0 0 103 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.848 127.9 53.6 -59.4 -39.6 60.3 -34.1 37.2 98 119 A T T 3 S- 0 0 98 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.346 122.8 -75.9 -85.1 5.7 62.6 -34.5 34.1 99 120 A G E < -G 96 0B 27 -3,-1.2 -3,-2.9 -98,-0.1 2,-0.3 -0.809 45.3 -81.3 133.9-175.7 60.7 -32.0 32.0 100 121 A a E -G 95 0B 66 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.3 -0.964 27.4-161.7-130.4 149.1 57.5 -31.4 29.9 101 122 A S E -G 94 0B 29 -7,-2.7 -7,-2.6 -2,-0.3 2,-0.3 -0.993 10.8-145.7-134.5 134.9 56.7 -32.4 26.2 102 123 A K E -G 93 0B 88 -2,-0.4 -9,-0.3 -9,-0.3 -98,-0.1 -0.716 12.6-125.0-102.9 141.0 54.0 -30.9 24.0 103 124 A S - 0 0 9 -11,-3.1 -97,-0.1 -2,-0.3 -1,-0.1 -0.227 41.7 -90.0 -59.5 161.4 51.8 -32.6 21.4 104 125 A A - 0 0 80 -99,-0.4 -12,-0.2 1,-0.1 -97,-0.1 -0.492 58.9 -94.1 -65.3 148.1 51.7 -31.2 17.9 105 126 A P - 0 0 74 0, 0.0 2,-0.3 0, 0.0 -14,-0.2 -0.416 43.4-174.2 -71.6 148.8 48.9 -28.5 17.6 106 127 A V E - 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0 0 39 -3,-2.3 3,-0.1 118,-0.1 -31,-0.1 -0.841 69.5-132.6-112.6 136.1 33.0 -20.3 11.9 119 140 A K - 0 0 146 -2,-0.4 122,-0.2 1,-0.1 121,-0.1 -0.456 54.2 -76.5 -69.6 150.4 34.9 -19.0 8.9 120 141 A P - 0 0 75 0, 0.0 118,-0.2 0, 0.0 -1,-0.1 -0.189 61.0 -99.0 -47.5 136.7 33.0 -16.5 6.6 121 142 A L - 0 0 12 116,-1.6 2,-0.5 113,-0.2 99,-0.1 -0.345 29.8-122.5 -63.5 140.4 30.5 -18.4 4.5 122 143 A T - 0 0 107 97,-0.3 2,-0.2 -3,-0.1 -1,-0.1 -0.781 33.4-136.6 -84.3 124.2 31.4 -19.2 0.9 123 144 A M - 0 0 41 -2,-0.5 35,-0.2 35,-0.1 2,-0.1 -0.477 25.2-173.3 -89.7 152.6 28.9 -17.7 -1.4 124 145 A N + 0 0 108 33,-3.4 2,-0.4 -2,-0.2 -2,-0.0 -0.585 28.6 166.1-138.3 68.6 27.2 -19.1 -4.5 125 146 A V - 0 0 46 -2,-0.1 34,-0.1 34,-0.1 33,-0.1 -0.734 44.9-108.8 -96.1 133.7 25.3 -16.1 -5.8 126 147 A D > - 0 0 81 32,-0.5 3,-2.2 -2,-0.4 -1,-0.1 -0.424 28.2-136.2 -56.2 123.1 23.7 -15.8 -9.3 127 148 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.2 0, 0.0 429,-0.1 0.576 94.6 84.1 -73.0 -0.3 25.9 -13.2 -11.0 128 149 A N T 3 S+ 0 0 54 427,-0.2 2,-0.6 2,-0.1 428,-0.1 0.746 72.4 90.5 -63.0 -20.8 22.8 -11.4 -12.4 129 150 A N S < S- 0 0 26 -3,-2.2 2,-0.1 430,-0.0 428,-0.1 -0.689 75.7-155.5 -77.5 119.5 22.9 -9.7 -9.0 130 151 A K - 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