==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-JAN-00 1EDQ . COMPND 2 MOLECULE: CHITINASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: SERRATIA MARCESCENS; . AUTHOR Y.PAPANIKOLAU,K.PETRATOS . 540 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21643.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 360 66.7 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 . 74 13.7 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 . 40 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 18.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 0 103 0, 0.0 94,-0.3 0, 0.0 95,-0.2 0.000 360.0 360.0 360.0 153.9 39.9 99.1 15.6 2 25 A A - 0 0 39 93,-0.4 47,-0.3 1,-0.1 95,-0.1 -0.266 360.0 -81.4 -64.2 162.1 39.6 95.4 15.9 3 26 A P - 0 0 5 0, 0.0 47,-0.2 0, 0.0 -1,-0.1 -0.098 50.3 -91.7 -64.4 158.1 40.5 93.2 12.9 4 27 A G - 0 0 17 45,-2.5 87,-0.2 1,-0.1 94,-0.2 -0.274 50.9 -91.8 -62.7 164.1 38.3 92.5 10.0 5 28 A K - 0 0 106 42,-0.2 41,-0.4 85,-0.1 42,-0.2 -0.697 44.8-134.1 -85.1 117.6 36.0 89.5 10.1 6 29 A P - 0 0 3 0, 0.0 2,-0.5 0, 0.0 95,-0.4 -0.371 5.9-136.4 -71.3 153.2 37.8 86.5 8.5 7 30 A T E -A 44 0A 67 37,-3.3 37,-2.6 93,-0.1 2,-0.2 -0.941 21.5-124.2-108.7 123.3 36.1 84.1 6.1 8 31 A I E -A 43 0A 26 -2,-0.5 35,-0.3 35,-0.2 2,-0.1 -0.547 31.5-118.4 -68.3 130.8 36.8 80.4 6.6 9 32 A A - 0 0 27 33,-2.6 33,-0.3 -2,-0.2 2,-0.1 -0.449 28.2-104.3 -66.4 138.4 38.3 78.9 3.5 10 33 A W + 0 0 260 -2,-0.1 2,-0.3 31,-0.1 -1,-0.1 -0.445 69.2 121.8 -57.8 139.2 36.3 76.1 1.8 11 34 A G - 0 0 55 -2,-0.1 2,-0.1 -3,-0.1 -3,-0.0 -0.974 64.9 -43.8 175.7 172.7 38.1 72.9 2.5 12 35 A N + 0 0 88 -2,-0.3 28,-0.2 1,-0.1 3,-0.0 -0.385 41.8 176.7 -57.7 133.3 37.8 69.5 4.1 13 36 A T + 0 0 49 -2,-0.1 93,-2.9 26,-0.1 2,-0.5 0.217 52.5 92.9-121.7 11.8 35.9 69.5 7.4 14 37 A K E +c 106 0B 52 91,-0.2 2,-0.2 93,-0.1 93,-0.2 -0.904 49.7 167.1-117.7 118.4 35.8 65.8 8.0 15 38 A F E -c 107 0B 18 91,-2.9 93,-2.8 -2,-0.5 2,-0.3 -0.803 18.2-148.2-129.2 162.0 38.7 64.4 10.2 16 39 A A E -c 108 0B 17 -2,-0.2 22,-0.4 91,-0.2 93,-0.2 -0.995 19.5-161.3-142.0 139.2 39.3 61.1 11.9 17 40 A I S S+ 0 0 7 91,-3.3 17,-2.1 -2,-0.3 2,-0.6 0.870 100.0 42.6 -81.5 -40.4 41.1 59.9 15.1 18 41 A V E S-H 33 0C 2 90,-0.5 2,-0.3 15,-0.2 -1,-0.3 -0.962 91.1-153.0-102.7 111.1 41.2 56.3 13.7 19 42 A E E -H 32 0C 68 13,-3.0 13,-2.8 -2,-0.6 2,-0.5 -0.642 3.8-151.2 -88.2 144.2 42.1 56.6 10.1 20 43 A V E -H 31 0C 22 -2,-0.3 2,-0.6 11,-0.2 11,-0.2 -0.965 12.5-136.6-115.8 124.8 41.0 54.0 7.5 21 44 A D > - 0 0 78 9,-3.0 3,-0.6 -2,-0.5 8,-0.0 -0.783 10.4-157.7 -81.5 120.2 43.2 53.5 4.5 22 45 A Q T 3 S+ 0 0 96 -2,-0.6 -1,-0.1 1,-0.3 8,-0.1 0.556 87.6 50.3 -80.2 -4.5 40.8 53.3 1.5 23 46 A A T 3 S+ 0 0 94 6,-0.1 2,-0.4 7,-0.0 -1,-0.3 -0.488 90.0 100.9-128.3 54.3 43.4 51.4 -0.7 24 47 A A < + 0 0 13 -3,-0.6 -3,-0.0 1,-0.1 0, 0.0 -0.967 37.2 176.1-143.4 128.7 44.4 48.6 1.8 25 48 A T + 0 0 82 -2,-0.4 2,-0.5 168,-0.1 171,-0.1 0.560 64.8 85.8-105.0 -13.8 43.2 45.0 2.0 26 49 A A S >> S- 0 0 4 1,-0.1 4,-2.2 169,-0.1 3,-1.5 -0.823 77.0-136.6 -90.6 131.6 45.5 44.0 4.8 27 50 A Y H 3> S+ 0 0 14 167,-2.7 4,-1.3 -2,-0.5 -1,-0.1 0.840 103.7 61.0 -54.7 -37.5 44.1 44.7 8.3 28 51 A N H 34 S+ 0 0 70 166,-0.5 -1,-0.3 168,-0.4 167,-0.1 0.821 114.9 33.4 -56.3 -35.6 47.5 46.1 9.4 29 52 A N H <4 S+ 0 0 108 -3,-1.5 -8,-0.3 1,-0.1 -2,-0.2 0.711 107.1 72.4 -93.0 -24.8 47.3 48.8 6.7 30 53 A L H < S+ 0 0 0 -4,-2.2 -9,-3.0 -10,-0.1 2,-0.4 0.850 100.8 35.0 -59.6 -45.9 43.6 49.3 6.8 31 54 A V E < -H 20 0C 21 -4,-1.3 2,-0.4 -11,-0.2 -11,-0.2 -0.963 57.9-173.1-122.2 139.3 43.3 51.1 10.2 32 55 A K E -H 19 0C 120 -13,-2.8 -13,-3.0 -2,-0.4 2,-0.6 -0.965 13.4-153.6-128.9 111.8 45.6 53.5 11.9 33 56 A V E -H 18 0C 75 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.766 17.8-175.1 -84.4 117.7 44.8 54.6 15.5 34 57 A K - 0 0 37 -17,-2.1 3,-0.1 -2,-0.6 -2,-0.0 -0.774 34.8-125.0-103.0 164.9 46.2 58.0 16.2 35 58 A N S S+ 0 0 160 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.725 94.9 4.8 -79.2 -16.0 46.1 59.7 19.6 36 59 A A S S- 0 0 12 -19,-0.2 2,-0.3 -20,-0.1 44,-0.3 -0.970 81.6-101.2-160.1 151.9 44.4 62.7 17.9 37 60 A A E - B 0 79A 0 42,-3.0 42,-1.9 -2,-0.3 2,-0.7 -0.614 32.7-125.8 -72.5 139.0 42.9 63.7 14.6 38 61 A D E - B 0 78A 73 -22,-0.4 2,-0.4 -2,-0.3 40,-0.2 -0.761 36.1-172.5 -81.6 112.1 45.1 66.0 12.4 39 62 A V E - B 0 77A 2 38,-3.7 38,-2.6 -2,-0.7 2,-0.4 -0.835 8.9-169.6-109.6 146.4 42.8 69.0 11.6 40 63 A S E + B 0 76A 49 -2,-0.4 2,-0.3 36,-0.2 36,-0.2 -0.992 6.2 176.5-134.3 143.5 43.5 71.8 9.2 41 64 A V E - B 0 75A 8 34,-2.1 34,-3.0 -2,-0.4 2,-0.3 -0.993 5.5-170.0-142.1 141.2 41.7 75.1 8.7 42 65 A S E - B 0 74A 39 -2,-0.3 -33,-2.6 -33,-0.3 2,-0.3 -0.892 5.5-171.0-127.1 168.8 42.4 78.1 6.4 43 66 A W E -AB 8 73A 10 30,-2.1 30,-2.1 -2,-0.3 2,-0.3 -0.983 11.9-150.9-154.4 156.3 41.0 81.5 6.2 44 67 A N E -AB 7 72A 45 -37,-2.6 -37,-3.3 -2,-0.3 2,-0.6 -0.969 10.8-144.9-127.4 151.3 40.9 84.7 4.1 45 68 A L + 0 0 13 26,-2.8 3,-0.1 -2,-0.3 5,-0.1 -0.946 17.7 175.4-121.0 116.8 40.4 88.2 5.0 46 69 A W + 0 0 178 -2,-0.6 2,-0.4 -41,-0.4 -1,-0.1 0.576 67.9 33.3 -92.1 -23.7 38.5 90.2 2.4 47 70 A N S S- 0 0 137 -42,-0.2 -1,-0.2 2,-0.1 -42,-0.2 -0.948 102.4 -14.5-140.4 122.4 38.1 93.5 4.3 48 71 A G S S- 0 0 66 -2,-0.4 2,-0.3 -44,-0.1 -3,-0.1 -0.362 91.8 -10.7 105.0-168.9 40.4 95.2 6.8 49 72 A D - 0 0 96 -47,-0.3 -45,-2.5 -2,-0.1 3,-0.1 -0.601 49.9-140.4 -77.3 133.7 43.3 94.7 9.1 50 73 A T - 0 0 24 -2,-0.3 42,-0.2 1,-0.2 20,-0.2 0.407 38.2-132.5 -79.5 1.0 44.4 91.1 9.5 51 74 A G - 0 0 5 40,-0.2 42,-0.2 1,-0.1 -1,-0.2 -0.160 18.8 -95.7 77.3-177.4 45.0 91.6 13.2 52 75 A T S S+ 0 0 92 40,-2.7 16,-2.0 1,-0.3 2,-0.4 0.631 102.8 42.3-116.1 -14.8 48.2 90.4 14.9 53 76 A T E -DE 67 92B 45 39,-2.2 39,-3.0 14,-0.3 2,-0.4 -0.987 64.0-160.0-131.9 134.1 47.1 87.0 16.3 54 77 A A E -DE 66 91B 0 12,-3.2 12,-2.4 -2,-0.4 2,-0.4 -0.937 14.0-173.5-105.9 142.0 45.0 84.4 14.5 55 78 A K E -DE 65 90B 52 35,-2.5 35,-2.6 -2,-0.4 2,-0.5 -0.979 20.5-144.8-133.5 147.3 43.2 81.7 16.6 56 79 A V E -DE 64 89B 0 8,-2.5 7,-3.1 -2,-0.4 8,-1.2 -0.971 23.9-164.5-107.4 125.0 41.2 78.7 15.7 57 80 A L E -DE 62 88B 29 31,-3.2 31,-2.4 -2,-0.5 2,-0.5 -0.893 13.8-162.7-108.8 140.1 38.3 78.1 18.2 58 81 A L E > S-DE 61 87B 18 3,-2.8 3,-2.0 -2,-0.4 29,-0.2 -0.990 87.8 -19.4-117.6 113.2 36.3 74.9 18.7 59 82 A N T 3 S- 0 0 100 27,-2.7 -1,-0.2 -2,-0.5 28,-0.1 0.887 131.5 -52.1 53.8 39.3 33.1 75.7 20.6 60 83 A G T 3 S+ 0 0 50 26,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.397 115.5 116.4 84.6 -6.1 34.8 78.9 21.7 61 84 A K E < S-D 58 0B 164 -3,-2.0 -3,-2.8 1,-0.0 -1,-0.2 -0.843 70.7-111.6-103.0 130.6 37.9 77.2 23.0 62 85 A E E +D 57 0B 97 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.335 38.3 166.6 -60.8 124.0 41.3 77.8 21.4 63 86 A A E S+ 0 0 36 -7,-3.1 2,-0.3 1,-0.4 15,-0.3 0.513 72.0 8.0-105.6 -12.9 42.8 74.9 19.6 64 87 A W E -D 56 0B 59 -8,-1.2 -8,-2.5 13,-0.1 -1,-0.4 -0.955 59.9-179.6-162.1 147.6 45.5 76.8 17.8 65 88 A S E +D 55 0B 47 -2,-0.3 -10,-0.2 -10,-0.2 -12,-0.0 -0.992 13.5 148.8-151.4 148.0 47.0 80.3 17.8 66 89 A G E -D 54 0B 14 -12,-2.4 -12,-3.2 -2,-0.3 -2,-0.0 -0.981 52.2 -62.7-164.2 173.0 49.8 82.0 15.8 67 90 A P E -D 53 0B 100 0, 0.0 2,-0.8 0, 0.0 -14,-0.3 -0.381 44.5-129.4 -64.3 138.0 50.9 85.3 14.4 68 91 A S + 0 0 13 -16,-2.0 3,-0.1 24,-0.2 -18,-0.1 -0.890 36.7 169.1 -87.7 108.7 48.5 86.8 11.8 69 92 A T - 0 0 132 -2,-0.8 2,-0.3 3,-0.2 -1,-0.1 0.329 52.6 -22.6-115.4 3.1 50.9 87.7 9.0 70 93 A G S S- 0 0 27 -20,-0.2 -1,-0.1 -19,-0.0 -21,-0.0 -0.983 85.2 -57.7 175.9-162.1 48.7 88.5 6.1 71 94 A S S S+ 0 0 71 -2,-0.3 -26,-2.8 -27,-0.1 2,-0.3 0.543 113.3 37.9 -83.3 -10.2 45.4 88.2 4.4 72 95 A S E +B 44 0A 75 -28,-0.2 2,-0.3 -66,-0.0 -28,-0.2 -0.978 67.5 169.5-129.1 153.9 45.2 84.4 4.2 73 96 A G E -B 43 0A 19 -30,-2.1 -30,-2.1 -2,-0.3 2,-0.3 -0.972 20.0-147.5-155.1 168.7 46.4 81.8 6.7 74 97 A T E -B 42 0A 80 -2,-0.3 2,-0.4 -32,-0.2 -32,-0.2 -0.997 8.4-163.8-139.9 142.1 46.4 78.1 7.5 75 98 A A E -B 41 0A 0 -34,-3.0 -34,-2.1 -2,-0.3 2,-0.4 -0.993 1.3-165.4-128.7 134.8 46.5 76.3 10.9 76 99 A N E +B 40 0A 113 -2,-0.4 2,-0.3 -36,-0.2 -36,-0.2 -0.980 26.2 148.9-120.2 130.2 47.3 72.6 11.5 77 100 A F E -B 39 0A 16 -38,-2.6 -38,-3.7 -2,-0.4 2,-0.3 -0.974 40.7-104.6-155.9 170.1 46.4 71.2 14.9 78 101 A K E -B 38 0A 137 -2,-0.3 2,-0.4 -15,-0.3 -40,-0.2 -0.732 18.2-167.2-107.5 140.6 45.3 68.1 16.8 79 102 A V E -B 37 0A 10 -42,-1.9 -42,-3.0 -2,-0.3 -16,-0.0 -0.982 2.1-173.5-126.2 118.8 41.8 67.3 18.2 80 103 A N + 0 0 128 -2,-0.4 2,-0.4 -44,-0.3 -1,-0.1 0.366 61.1 66.2-101.6 9.1 41.8 64.3 20.6 81 104 A K S S- 0 0 138 -44,-0.1 -1,-0.1 2,-0.0 26,-0.1 -0.992 77.1-125.9-130.9 128.3 38.0 63.8 21.2 82 105 A G + 0 0 4 -2,-0.4 2,-0.3 24,-0.1 26,-0.2 -0.272 59.3 84.0 -66.3 153.2 35.5 62.7 18.6 83 106 A G E S- F 0 107B 10 24,-2.4 24,-3.1 2,-0.0 2,-0.5 -0.925 78.0 -63.3 148.0-169.6 32.3 64.8 18.0 84 107 A R E - 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