==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-JUN-09 2WM0 . COMPND 2 MOLECULE: CHITINASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: SERRATIA MARCESCENS; . AUTHOR E.J.TAYLOR,R.J.DENNIS,J.M.MACDONALD,C.A.TARLING,S.KNAPP, . 538 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21664.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 366 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 0 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 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 . 5 2 3 2 2 2 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 24 A A 0 0 114 0, 0.0 94,-0.3 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0 151.3 98.5 60.2 0.0 2 25 A A - 0 0 42 93,-0.3 47,-0.3 1,-0.1 95,-0.1 -0.246 360.0 -80.5 -62.6 162.1 94.7 60.6 0.7 3 26 A P - 0 0 6 0, 0.0 47,-0.2 0, 0.0 -1,-0.1 -0.156 50.9 -91.4 -65.3 162.0 92.4 59.6 -2.3 4 27 A G - 0 0 15 45,-2.4 87,-0.2 1,-0.1 94,-0.2 -0.223 49.8 -94.3 -62.6 163.7 91.7 61.7 -5.3 5 28 A K - 0 0 107 42,-0.2 41,-0.4 85,-0.1 42,-0.2 -0.714 43.5-136.6 -86.5 115.7 88.6 64.0 -5.2 6 29 A P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 95,-0.4 -0.369 4.5-137.5 -74.5 157.2 85.6 62.3 -6.7 7 30 A T E -A 44 0A 71 37,-2.6 37,-2.5 93,-0.1 2,-0.3 -0.950 22.4-123.0-108.1 127.4 83.1 63.9 -9.1 8 31 A I E -A 43 0A 24 -2,-0.4 35,-0.3 35,-0.2 2,-0.1 -0.556 30.0-118.3 -71.0 134.1 79.5 63.1 -8.6 9 32 A A - 0 0 30 33,-2.5 33,-0.3 -2,-0.3 2,-0.1 -0.440 28.3-106.4 -70.5 143.7 77.9 61.7 -11.7 10 33 A W + 0 0 264 -2,-0.1 2,-0.3 31,-0.1 -1,-0.1 -0.449 68.9 115.7 -60.9 138.3 75.0 63.6 -13.4 11 34 A G - 0 0 54 -2,-0.1 30,-0.0 -3,-0.1 -3,-0.0 -0.978 67.7 -35.8 175.9-176.9 71.7 61.8 -12.7 12 35 A N + 0 0 84 -2,-0.3 28,-0.2 1,-0.1 3,-0.0 -0.318 43.2 179.3 -62.3 143.6 68.4 62.1 -10.9 13 36 A T + 0 0 44 1,-0.1 93,-3.2 26,-0.1 2,-0.5 0.303 54.7 84.4-125.8 6.6 68.6 64.0 -7.6 14 37 A K E +c 106 0B 39 91,-0.2 2,-0.3 93,-0.1 93,-0.2 -0.963 50.5 165.7-117.3 125.4 64.9 63.9 -6.5 15 38 A F E -c 107 0B 24 91,-2.7 93,-3.0 -2,-0.5 2,-0.4 -0.814 20.1-139.8-133.9 164.5 63.6 60.9 -4.6 16 39 A A E -c 108 0B 11 -2,-0.3 22,-0.4 91,-0.2 3,-0.2 -0.993 20.9-161.6-140.0 139.8 60.4 60.3 -2.5 17 40 A I S S+ 0 0 9 91,-2.8 17,-2.0 -2,-0.4 2,-0.6 0.905 105.0 37.0 -78.9 -44.5 59.4 58.5 0.7 18 41 A V E S-H 33 0C 3 90,-0.5 2,-0.4 15,-0.2 -1,-0.3 -0.957 94.1-155.5-104.6 114.5 55.8 58.5 -0.6 19 42 A E E -H 32 0C 59 13,-3.0 13,-3.0 -2,-0.6 2,-0.6 -0.742 9.1-150.2 -96.9 138.5 56.1 58.0 -4.3 20 43 A V E -H 31 0C 16 -2,-0.4 2,-0.4 11,-0.2 11,-0.2 -0.930 18.2-134.3-106.8 118.8 53.5 59.1 -6.9 21 44 A D > - 0 0 81 9,-2.3 3,-0.5 -2,-0.6 8,-0.0 -0.591 11.4-149.9 -71.1 123.2 53.4 56.8 -9.9 22 45 A Q T 3 S+ 0 0 106 -2,-0.4 -1,-0.1 1,-0.3 2,-0.1 0.585 88.2 45.4 -77.9 -7.2 53.3 59.1 -12.9 23 46 A A T 3 S+ 0 0 92 7,-0.0 2,-0.3 0, 0.0 -1,-0.3 -0.515 90.5 95.1-131.8 66.4 51.3 56.7 -15.2 24 47 A A < - 0 0 22 -3,-0.5 3,-0.0 -2,-0.1 0, 0.0 -0.971 42.2-173.3-150.3 140.3 48.5 55.4 -13.0 25 48 A T + 0 0 87 -2,-0.3 2,-0.4 168,-0.1 171,-0.1 0.573 64.8 88.1-109.3 -12.0 44.9 56.6 -12.5 26 49 A A S >> S- 0 0 6 1,-0.1 4,-3.0 169,-0.1 3,-1.2 -0.766 75.5-136.1 -91.0 129.6 43.8 54.3 -9.6 27 50 A Y H 3> S+ 0 0 12 167,-3.2 4,-1.7 -2,-0.4 -1,-0.1 0.865 103.4 58.8 -51.4 -44.0 44.5 55.8 -6.2 28 51 A N H 34 S+ 0 0 67 166,-0.5 -1,-0.3 168,-0.4 169,-0.1 0.825 116.9 32.7 -58.6 -31.6 45.9 52.4 -4.9 29 52 A N H <4 S+ 0 0 105 -3,-1.2 -8,-0.3 1,-0.1 -2,-0.2 0.779 112.0 63.5 -92.5 -30.6 48.6 52.4 -7.7 30 53 A L H < S+ 0 0 1 -4,-3.0 -9,-2.3 164,-0.2 2,-0.6 0.818 103.1 50.1 -58.2 -38.0 49.1 56.1 -7.8 31 54 A V E < -H 20 0C 19 -4,-1.7 2,-0.6 -11,-0.2 -11,-0.2 -0.922 60.6-178.5-116.7 119.8 50.4 56.4 -4.2 32 55 A K E -H 19 0C 115 -13,-3.0 -13,-3.0 -2,-0.6 2,-0.5 -0.932 11.6-159.2-119.5 111.9 53.1 54.2 -2.9 33 56 A V E +H 18 0C 85 -2,-0.6 2,-0.3 -15,-0.2 -15,-0.2 -0.748 16.5 180.0 -87.1 122.1 54.0 54.8 0.8 34 57 A K - 0 0 38 -17,-2.0 3,-0.1 -2,-0.5 -2,-0.0 -0.819 38.3-123.6-115.6 162.6 57.5 53.5 1.7 35 58 A N S S+ 0 0 163 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.734 95.9 1.7 -72.6 -19.0 59.3 53.5 5.0 36 59 A A S S- 0 0 12 -19,-0.2 44,-0.3 -20,-0.1 -1,-0.2 -0.984 82.3 -98.1-162.9 153.3 62.2 55.4 3.3 37 60 A A E - B 0 79A 0 42,-2.7 42,-2.0 -2,-0.3 2,-0.7 -0.531 32.5-128.2 -74.1 146.9 63.2 56.8 -0.1 38 61 A D E - B 0 78A 66 -22,-0.4 2,-0.3 40,-0.2 40,-0.2 -0.873 34.8-172.3 -96.9 115.1 65.4 54.7 -2.3 39 62 A V E - B 0 77A 1 38,-3.6 38,-2.4 -2,-0.7 2,-0.4 -0.825 9.9-165.1-113.7 147.6 68.2 57.0 -3.3 40 63 A S E + B 0 76A 55 -2,-0.3 2,-0.3 36,-0.2 36,-0.2 -1.000 7.9 177.1-134.1 137.8 71.0 56.4 -5.8 41 64 A V E - B 0 75A 9 34,-2.0 34,-3.0 -2,-0.4 2,-0.3 -0.990 5.2-171.9-138.0 138.3 74.3 58.3 -6.3 42 65 A S E - B 0 74A 41 -33,-0.3 -33,-2.5 -2,-0.3 2,-0.3 -0.872 6.4-176.1-125.8 162.6 77.1 57.5 -8.8 43 66 A W E -AB 8 73A 10 30,-2.0 30,-2.0 -2,-0.3 2,-0.3 -0.981 14.7-149.7-152.7 162.3 80.6 59.0 -9.1 44 67 A N E -AB 7 72A 43 -37,-2.5 -37,-2.6 -2,-0.3 2,-0.5 -0.962 11.0-144.8-129.6 151.1 83.8 58.9 -11.2 45 68 A L + 0 0 13 26,-2.7 3,-0.1 -2,-0.3 5,-0.1 -0.966 18.4 175.3-117.6 116.9 87.4 59.6 -10.2 46 69 A W + 0 0 180 -2,-0.5 2,-0.3 -41,-0.4 -1,-0.1 0.558 67.0 36.3 -95.1 -14.4 89.3 61.3 -12.9 47 70 A N S S- 0 0 130 -42,-0.2 -1,-0.2 2,-0.1 -42,-0.2 -0.942 101.0 -13.8-142.9 127.0 92.6 61.9 -10.9 48 71 A G S S- 0 0 69 -2,-0.3 2,-0.3 -44,-0.1 -3,-0.1 -0.421 93.7 -13.8 100.7-161.8 94.5 59.9 -8.3 49 72 A D - 0 0 94 -47,-0.3 -45,-2.4 -2,-0.1 3,-0.1 -0.574 50.1-140.6 -87.9 135.4 94.0 56.9 -6.1 50 73 A T - 0 0 28 -2,-0.3 42,-0.2 1,-0.2 20,-0.2 0.465 39.4-135.1 -79.1 1.8 90.3 55.7 -5.6 51 74 A G - 0 0 5 40,-0.2 42,-0.3 1,-0.1 -1,-0.2 -0.118 18.5 -92.4 75.9-177.5 90.8 55.1 -1.9 52 75 A T S S+ 0 0 89 40,-2.7 16,-2.1 1,-0.3 2,-0.4 0.667 103.5 39.4-113.9 -17.2 89.6 51.9 -0.1 53 76 A T E -DE 67 92B 48 39,-2.4 39,-3.0 14,-0.3 2,-0.4 -0.991 63.5-158.6-129.4 140.7 86.2 53.0 1.2 54 77 A A E -DE 66 91B 0 12,-2.9 12,-2.1 -2,-0.4 2,-0.3 -0.918 15.8-172.9-110.7 141.8 83.6 55.1 -0.6 55 78 A K E -DE 65 90B 60 35,-2.4 35,-2.4 -2,-0.4 2,-0.5 -0.966 21.7-142.2-130.9 146.0 80.9 56.9 1.5 56 79 A I E -DE 64 89B 0 8,-2.4 7,-3.2 -2,-0.3 8,-1.1 -0.974 24.9-163.7-103.8 123.6 77.8 58.9 0.7 57 80 A L E -DE 62 88B 29 31,-2.6 31,-2.4 -2,-0.5 2,-0.5 -0.920 12.8-163.2-105.7 137.0 77.4 61.8 3.2 58 81 A L E > S-DE 61 87B 17 3,-2.7 3,-2.0 -2,-0.4 29,-0.2 -0.981 88.2 -21.1-116.4 112.7 74.2 63.8 3.7 59 82 A N T 3 S- 0 0 104 27,-2.6 -1,-0.2 -2,-0.5 28,-0.1 0.882 131.7 -50.8 48.9 40.3 75.1 67.1 5.5 60 83 A G T 3 S+ 0 0 50 26,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.233 115.4 117.0 91.6 -16.1 78.3 65.3 6.6 61 84 A K E < -D 58 0B 159 -3,-2.0 -3,-2.7 1,-0.1 -1,-0.2 -0.772 69.9-113.9 -97.7 128.8 76.5 62.2 7.9 62 85 A E E +D 57 0B 91 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.347 36.3 168.5 -62.7 128.2 77.2 58.8 6.4 63 86 A A E S+ 0 0 35 -7,-3.2 2,-0.3 1,-0.4 15,-0.3 0.490 72.5 2.5-108.9 -15.4 74.1 57.3 4.6 64 87 A W E +D 56 0B 62 -8,-1.1 -8,-2.4 13,-0.1 -1,-0.4 -0.961 61.2 177.5-164.6 147.7 76.0 54.5 2.9 65 88 A S E +D 55 0B 51 -2,-0.3 -10,-0.2 -10,-0.2 -12,-0.0 -0.983 12.1 147.4-151.2 154.6 79.6 53.1 2.7 66 89 A G E -D 54 0B 15 -12,-2.1 -12,-2.9 -2,-0.3 2,-0.1 -0.974 53.1 -53.0-166.2-177.1 81.3 50.3 1.0 67 90 A P E -D 53 0B 103 0, 0.0 2,-0.8 0, 0.0 -14,-0.3 -0.363 45.2-130.7 -70.3 143.7 84.6 49.2 -0.6 68 91 A S + 0 0 15 -16,-2.1 -18,-0.1 24,-0.2 3,-0.1 -0.809 38.0 164.6 -93.8 108.1 86.0 51.5 -3.2 69 92 A T - 0 0 132 -2,-0.8 2,-0.3 3,-0.1 -1,-0.1 0.421 51.8 -4.5-112.7 0.8 86.8 49.1 -6.1 70 93 A G S S- 0 0 28 -20,-0.2 -1,-0.1 1,-0.0 0, 0.0 -0.979 82.8 -72.6-174.8-176.9 87.3 51.2 -9.2 71 94 A S S S+ 0 0 72 -2,-0.3 -26,-2.7 -27,-0.1 2,-0.3 0.594 113.8 36.7 -71.9 -18.0 87.3 54.5 -10.9 72 95 A S E +B 44 0A 76 -28,-0.2 2,-0.3 -66,-0.0 -28,-0.2 -0.987 69.3 173.6-132.0 151.8 83.5 54.7 -11.0 73 96 A G E -B 43 0A 18 -30,-2.0 -30,-2.0 -2,-0.3 2,-0.4 -0.956 19.9-148.1-153.0 161.9 80.9 53.6 -8.4 74 97 A T E -B 42 0A 79 -2,-0.3 2,-0.4 -32,-0.2 -32,-0.2 -0.994 8.7-161.9-131.3 138.5 77.2 53.5 -7.6 75 98 A A E -B 41 0A 0 -34,-3.0 -34,-2.0 -2,-0.4 2,-0.5 -0.988 2.0-169.2-117.2 126.7 75.6 53.6 -4.1 76 99 A N E +B 40 0A 109 -2,-0.4 2,-0.3 -36,-0.2 -36,-0.2 -0.980 27.7 146.3-113.7 125.8 71.9 52.5 -3.5 77 100 A F E -B 39 0A 17 -38,-2.4 -38,-3.6 -2,-0.5 2,-0.3 -0.948 42.3-106.5-154.0 170.8 70.6 53.4 -0.1 78 101 A K E -B 38 0A 137 -2,-0.3 2,-0.4 -15,-0.3 -40,-0.2 -0.815 17.5-167.5-110.1 142.5 67.6 54.4 1.9 79 102 A V E -B 37 0A 9 -42,-2.0 -42,-2.7 -2,-0.3 -16,-0.0 -0.988 0.6-172.4-129.4 121.9 66.8 57.8 3.5 80 103 A N + 0 0 128 -2,-0.4 2,-0.4 -44,-0.3 -1,-0.1 0.343 62.8 67.5-101.7 10.1 63.9 57.9 6.0 81 104 A K S S- 0 0 142 -44,-0.1 -1,-0.1 2,-0.0 28,-0.0 -0.989 77.4-124.9-133.2 127.5 63.6 61.6 6.6 82 105 A G + 0 0 5 -2,-0.4 2,-0.3 24,-0.0 26,-0.2 -0.259 54.2 96.8 -65.7 155.1 62.4 64.3 4.1 83 106 A G E S- F 0 107B 11 24,-2.6 24,-2.6 2,-0.1 2,-0.5 -0.887 73.4 -79.5 155.7 175.4 64.5 67.3 3.3 84 107 A R E - 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