==== 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 2WLZ . 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 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21638.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 364 67.7 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 . 72 13.4 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 . 3 0.6 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 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 11.2 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 . 4 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 2 0 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,-0.2 0.000 360.0 360.0 360.0 138.4 98.3 60.4 0.0 2 25 A A - 0 0 42 93,-0.3 47,-0.4 1,-0.1 95,-0.1 -0.231 360.0 -79.5 -65.4 163.2 94.6 60.8 0.7 3 26 A P - 0 0 5 0, 0.0 47,-0.2 0, 0.0 -1,-0.1 -0.222 53.4 -94.4 -62.7 162.3 92.3 59.6 -2.1 4 27 A G - 0 0 13 45,-2.7 87,-0.2 1,-0.1 94,-0.2 -0.214 49.0 -91.3 -69.4 165.5 91.6 61.9 -5.1 5 28 A K - 0 0 103 42,-0.2 41,-0.4 85,-0.1 42,-0.2 -0.712 44.2-135.6 -85.0 118.2 88.5 64.1 -5.0 6 29 A P - 0 0 3 0, 0.0 2,-0.5 0, 0.0 95,-0.4 -0.427 5.3-138.5 -76.0 157.7 85.5 62.3 -6.6 7 30 A T E -A 44 0A 71 37,-2.7 37,-2.5 93,-0.1 2,-0.2 -0.958 22.2-122.9-111.2 127.9 83.0 63.9 -9.0 8 31 A I E -A 43 0A 25 -2,-0.5 35,-0.3 35,-0.2 2,-0.2 -0.500 29.3-119.2 -69.2 132.2 79.3 63.2 -8.6 9 32 A A - 0 0 31 33,-2.8 33,-0.4 -2,-0.2 2,-0.1 -0.510 28.3-106.8 -71.5 141.6 77.8 61.7 -11.7 10 33 A W + 0 0 267 -2,-0.2 2,-0.3 31,-0.1 -1,-0.1 -0.476 69.0 114.5 -62.3 136.7 74.9 63.6 -13.3 11 34 A G - 0 0 57 -2,-0.1 30,-0.0 -3,-0.0 -3,-0.0 -0.970 68.3 -34.9 176.4-176.3 71.6 61.8 -12.6 12 35 A N + 0 0 80 -2,-0.3 28,-0.2 1,-0.1 3,-0.1 -0.355 42.8 179.6 -64.8 142.5 68.3 62.1 -10.9 13 36 A T + 0 0 44 1,-0.1 93,-2.9 26,-0.1 2,-0.6 0.327 55.7 83.4-121.0 -0.6 68.5 64.0 -7.6 14 37 A K E +c 106 0B 41 91,-0.2 2,-0.3 93,-0.1 93,-0.2 -0.943 50.6 165.6-114.4 122.3 64.9 63.9 -6.5 15 38 A F E -c 107 0B 26 91,-3.2 93,-3.2 -2,-0.6 2,-0.4 -0.803 20.6-139.9-128.4 166.0 63.5 60.8 -4.6 16 39 A A E -c 108 0B 6 -2,-0.3 22,-0.4 91,-0.2 3,-0.2 -0.991 20.7-162.3-137.6 138.8 60.3 60.2 -2.6 17 40 A I S S+ 0 0 9 91,-2.8 17,-1.8 -2,-0.4 2,-0.6 0.886 104.5 36.9 -79.4 -45.4 59.3 58.4 0.6 18 41 A V E S-H 33 0C 3 90,-0.5 2,-0.4 15,-0.2 -1,-0.3 -0.953 93.7-157.9-100.1 114.8 55.7 58.5 -0.7 19 42 A E E -H 32 0C 80 13,-2.7 13,-2.6 -2,-0.6 2,-0.6 -0.799 12.0-149.0 -99.6 140.8 55.9 58.0 -4.4 20 43 A V E -H 31 0C 14 -2,-0.4 2,-0.5 205,-0.2 11,-0.2 -0.907 19.2-134.0-103.5 121.6 53.3 59.1 -7.0 21 44 A D - 0 0 82 9,-2.4 3,-0.5 -2,-0.6 8,-0.0 -0.629 10.9-149.8 -73.9 123.3 53.2 56.8 -10.0 22 45 A Q S S+ 0 0 109 -2,-0.5 -1,-0.1 1,-0.2 2,-0.1 0.578 88.4 47.8 -77.1 -7.8 53.1 59.1 -13.0 23 46 A A S S+ 0 0 91 6,-0.1 2,-0.3 7,-0.0 -1,-0.2 -0.491 90.7 90.1-131.4 64.4 51.1 56.7 -15.2 24 47 A A - 0 0 23 -3,-0.5 3,-0.0 -2,-0.1 -3,-0.0 -0.966 41.9-173.2-156.0 140.0 48.2 55.4 -13.1 25 48 A T + 0 0 83 -2,-0.3 2,-0.5 168,-0.1 171,-0.1 0.470 64.6 90.6-114.0 -9.9 44.7 56.6 -12.5 26 49 A A S >> S- 0 0 9 1,-0.1 4,-2.7 169,-0.1 3,-1.3 -0.806 75.8-135.5 -87.1 129.2 43.6 54.3 -9.7 27 50 A Y H 3> S+ 0 0 10 167,-3.0 4,-1.8 -2,-0.5 -1,-0.1 0.869 103.4 58.6 -51.1 -42.7 44.3 55.7 -6.2 28 51 A N H 34 S+ 0 0 69 166,-0.5 -1,-0.3 168,-0.3 169,-0.1 0.796 116.2 33.5 -61.1 -31.2 45.8 52.4 -5.0 29 52 A N H <4 S+ 0 0 110 -3,-1.3 -8,-0.3 1,-0.1 -1,-0.2 0.727 112.1 63.6 -89.1 -29.8 48.4 52.3 -7.8 30 53 A L H < S+ 0 0 0 -4,-2.7 -9,-2.4 1,-0.2 2,-0.6 0.851 103.3 49.2 -59.8 -38.1 48.9 56.1 -7.9 31 54 A V E < -H 20 0C 19 -4,-1.8 2,-0.6 -11,-0.2 -11,-0.2 -0.919 60.1-178.2-119.8 116.9 50.2 56.3 -4.3 32 55 A K E -H 19 0C 115 -13,-2.6 -13,-2.7 -2,-0.6 2,-0.5 -0.942 11.1-160.3-113.4 111.6 53.0 54.1 -3.0 33 56 A V E +H 18 0C 87 -2,-0.6 2,-0.3 -15,-0.2 -15,-0.2 -0.754 16.7 179.0 -87.2 124.7 53.8 54.7 0.7 34 57 A K - 0 0 36 -17,-1.8 3,-0.1 -2,-0.5 -2,-0.0 -0.863 39.1-122.3-117.5 165.5 57.3 53.3 1.6 35 58 A N S S+ 0 0 160 -2,-0.3 2,-0.3 1,-0.2 -18,-0.1 0.719 95.6 3.2 -68.7 -27.3 59.3 53.3 4.9 36 59 A A S S- 0 0 9 -19,-0.2 44,-0.3 -20,-0.1 2,-0.2 -0.988 80.8 -98.5-156.9 153.7 62.1 55.2 3.2 37 60 A A E - B 0 79A 0 42,-2.8 42,-2.1 -2,-0.3 2,-0.8 -0.569 33.2-129.0 -73.6 141.8 63.1 56.8 -0.2 38 61 A D E - B 0 78A 79 -22,-0.4 2,-0.3 -2,-0.2 40,-0.2 -0.843 34.4-171.3 -91.0 111.0 65.3 54.6 -2.4 39 62 A V E - B 0 77A 2 38,-3.3 38,-2.1 -2,-0.8 2,-0.4 -0.754 9.5-167.1-108.2 146.0 68.2 57.0 -3.3 40 63 A S E + B 0 76A 48 -2,-0.3 2,-0.3 36,-0.2 36,-0.2 -0.998 7.7 176.0-135.9 132.5 70.9 56.4 -5.8 41 64 A V E - B 0 75A 8 34,-2.0 34,-2.8 -2,-0.4 2,-0.3 -0.994 5.7-171.7-131.4 139.5 74.2 58.3 -6.3 42 65 A S E - B 0 74A 39 -33,-0.4 -33,-2.8 -2,-0.3 2,-0.3 -0.871 5.6-175.7-125.6 165.0 77.1 57.6 -8.7 43 66 A W E -AB 8 73A 10 30,-1.9 30,-1.8 -2,-0.3 2,-0.3 -0.978 16.4-145.6-154.3 165.0 80.5 59.1 -9.1 44 67 A N E -AB 7 72A 45 -37,-2.5 -37,-2.7 -2,-0.3 2,-0.6 -0.968 11.7-144.7-128.7 146.7 83.8 59.1 -11.1 45 68 A L + 0 0 12 26,-3.1 3,-0.1 -2,-0.3 5,-0.1 -0.952 20.6 173.5-112.3 112.7 87.3 59.6 -9.9 46 69 A W + 0 0 180 -2,-0.6 2,-0.3 -41,-0.4 -1,-0.1 0.594 65.7 27.2 -91.0 -16.9 89.3 61.5 -12.6 47 70 A N S S+ 0 0 132 -42,-0.2 -42,-0.2 2,-0.1 -1,-0.2 -0.952 103.0 3.9-150.8 131.6 92.6 62.1 -10.7 48 71 A G S S- 0 0 71 -2,-0.3 2,-0.3 -44,-0.1 -3,-0.0 -0.467 96.0 -28.8 98.6-167.1 94.4 60.2 -7.9 49 72 A D - 0 0 96 -47,-0.4 -45,-2.7 -2,-0.2 -2,-0.1 -0.642 50.0-134.9 -89.6 142.7 93.9 57.0 -6.0 50 73 A T - 0 0 28 -2,-0.3 42,-0.2 1,-0.2 20,-0.1 0.439 42.2-135.0 -79.9 1.8 90.2 55.9 -5.6 51 74 A G - 0 0 5 40,-0.2 42,-0.3 1,-0.1 -1,-0.2 -0.099 17.5 -90.3 73.3-173.1 90.7 55.1 -1.8 52 75 A T S S+ 0 0 91 40,-2.9 16,-2.4 1,-0.3 2,-0.4 0.725 103.5 37.2-112.1 -26.8 89.5 52.0 0.1 53 76 A T E -DE 67 92B 51 39,-2.2 39,-2.9 14,-0.3 2,-0.4 -0.979 63.6-157.2-124.8 140.5 86.1 53.0 1.3 54 77 A A E -DE 66 91B 0 12,-3.2 12,-2.3 -2,-0.4 2,-0.3 -0.918 16.4-174.6-110.2 139.0 83.4 55.1 -0.5 55 78 A K E -DE 65 90B 59 35,-2.6 35,-2.5 -2,-0.4 2,-0.5 -0.974 21.7-142.4-129.5 146.6 80.8 56.9 1.6 56 79 A I E -DE 64 89B 0 8,-2.2 7,-3.3 -2,-0.3 8,-1.1 -0.968 24.4-163.3-101.8 125.1 77.7 58.9 0.8 57 80 A L E -DE 62 88B 28 31,-2.8 31,-2.4 -2,-0.5 2,-0.5 -0.900 12.6-162.4-106.2 139.6 77.3 61.8 3.2 58 81 A L E > S-DE 61 87B 15 3,-2.3 3,-1.9 -2,-0.4 29,-0.2 -0.986 88.2 -20.4-117.8 114.8 74.0 63.9 3.7 59 82 A N T 3 S- 0 0 102 27,-2.7 -1,-0.1 -2,-0.5 28,-0.1 0.904 132.6 -49.6 48.2 43.8 74.9 67.2 5.5 60 83 A G T 3 S+ 0 0 50 26,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.225 116.2 116.7 84.9 -14.0 78.2 65.4 6.7 61 84 A K E < -D 58 0B 161 -3,-1.9 -3,-2.3 1,-0.1 -1,-0.2 -0.771 68.9-116.8-101.7 127.6 76.4 62.3 7.9 62 85 A E E +D 57 0B 92 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.311 35.5 167.1 -63.4 125.1 77.0 58.9 6.4 63 86 A A E S+ 0 0 36 -7,-3.3 2,-0.3 1,-0.4 15,-0.2 0.462 72.0 6.5-109.4 -11.5 74.0 57.3 4.7 64 87 A W E +D 56 0B 60 -8,-1.1 -8,-2.2 13,-0.1 -1,-0.4 -0.956 61.3 177.1-160.2 148.2 75.9 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 11.1 148.7-151.1 156.2 79.5 53.1 2.7 66 89 A G E -D 54 0B 14 -12,-2.3 -12,-3.2 -2,-0.3 2,-0.1 -0.974 52.3 -53.7-165.3-178.9 81.2 50.3 1.0 67 90 A P E -D 53 0B 103 0, 0.0 2,-0.9 0, 0.0 -14,-0.3 -0.384 46.9-130.9 -65.4 135.7 84.5 49.2 -0.6 68 91 A S + 0 0 14 -16,-2.4 -18,-0.1 24,-0.2 5,-0.1 -0.806 38.8 165.6 -88.7 106.6 85.8 51.6 -3.2 69 92 A T - 0 0 130 -2,-0.9 2,-0.3 3,-0.1 -1,-0.1 0.586 49.2 -2.1-109.5 -10.0 86.6 49.2 -6.0 70 93 A G S S- 0 0 28 -20,-0.1 -1,-0.1 2,-0.1 0, 0.0 -0.929 83.5 -73.8-159.0-173.5 87.1 51.2 -9.2 71 94 A S S S+ 0 0 76 -2,-0.3 -26,-3.1 -27,-0.1 2,-0.3 0.528 116.0 34.8 -65.8 -13.9 87.3 54.6 -10.9 72 95 A S E S+B 44 0A 73 -28,-0.3 2,-0.3 -66,-0.1 -28,-0.2 -0.975 70.6 177.5-138.8 156.3 83.4 54.8 -10.8 73 96 A G E -B 43 0A 16 -30,-1.8 -30,-1.9 -2,-0.3 2,-0.3 -0.955 18.2-147.5-155.8 161.4 80.9 53.6 -8.3 74 97 A T E -B 42 0A 77 -2,-0.3 2,-0.4 -32,-0.2 -32,-0.2 -0.990 8.0-163.1-136.6 138.7 77.2 53.5 -7.5 75 98 A A E -B 41 0A 1 -34,-2.8 -34,-2.0 -2,-0.3 2,-0.5 -0.984 1.6-169.9-121.4 129.3 75.5 53.5 -4.0 76 99 A N E +B 40 0A 117 -2,-0.4 2,-0.3 -36,-0.2 -36,-0.2 -0.993 27.2 150.0-117.3 120.9 71.8 52.5 -3.5 77 100 A F E -B 39 0A 16 -38,-2.1 -38,-3.3 -2,-0.5 2,-0.3 -0.973 42.1-108.6-152.3 163.2 70.6 53.3 -0.0 78 101 A K E -B 38 0A 139 -2,-0.3 2,-0.4 -15,-0.2 -40,-0.2 -0.733 19.6-168.5-100.2 140.8 67.5 54.2 1.9 79 102 A V E -B 37 0A 11 -42,-2.1 -42,-2.8 -2,-0.3 -16,-0.0 -0.980 1.3-173.5-128.8 120.4 66.7 57.7 3.4 80 103 A N + 0 0 127 -2,-0.4 2,-0.4 -44,-0.3 -1,-0.1 0.349 61.7 66.5-102.2 9.8 63.8 57.8 5.9 81 104 A K S S- 0 0 140 -44,-0.1 -1,-0.1 2,-0.0 28,-0.0 -0.992 77.1-124.9-132.8 129.6 63.4 61.5 6.6 82 105 A G + 0 0 5 -2,-0.4 2,-0.3 24,-0.1 26,-0.2 -0.250 53.2 98.4 -68.1 157.0 62.3 64.2 4.0 83 106 A G E S- F 0 107B 11 24,-2.3 24,-2.5 2,-0.1 2,-0.6 -0.900 73.0 -79.1 154.3 177.0 64.4 67.3 3.3 84 107 A R E - 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