==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-OCT-01 1K9T . COMPND 2 MOLECULE: CHITINASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: SERRATIA MARCESCENS; . AUTHOR G.PRAG,P.A.TUCKER,A.B.OPPENHEIM . 538 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21429.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 367 68.2 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 . 75 13.9 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 . 42 7.8 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 . 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 . 4 3 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 . 2 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 0 101 0, 0.0 94,-0.3 0, 0.0 95,-0.2 0.000 360.0 360.0 360.0 156.7 40.0 99.3 15.6 2 25 A A - 0 0 41 93,-0.4 47,-0.3 1,-0.1 95,-0.1 -0.232 360.0 -85.7 -61.9 161.5 39.5 95.5 16.0 3 26 A P - 0 0 4 0, 0.0 47,-0.2 0, 0.0 -1,-0.1 -0.214 51.0 -91.6 -63.9 166.1 40.6 93.4 13.0 4 27 A G - 0 0 16 45,-2.7 87,-0.2 1,-0.1 94,-0.2 -0.156 50.4 -90.8 -72.1 166.6 38.3 92.7 10.1 5 28 A K - 0 0 104 42,-0.2 41,-0.4 -3,-0.1 42,-0.2 -0.745 44.6-135.4 -83.9 116.7 36.0 89.6 10.2 6 29 A P - 0 0 3 0, 0.0 2,-0.5 0, 0.0 95,-0.4 -0.338 5.1-137.3 -71.1 155.6 37.7 86.6 8.6 7 30 A T E -A 44 0A 68 37,-2.9 37,-2.1 93,-0.1 2,-0.2 -0.955 22.1-123.3-112.5 122.0 36.0 84.2 6.2 8 31 A I E -A 43 0A 26 -2,-0.5 35,-0.3 35,-0.2 2,-0.1 -0.519 32.6-117.1 -68.3 133.1 36.7 80.5 6.7 9 32 A A - 0 0 27 33,-2.6 33,-0.3 -2,-0.2 2,-0.1 -0.377 27.3-103.8 -71.3 143.9 38.2 79.0 3.5 10 33 A W + 0 0 260 -2,-0.1 2,-0.3 31,-0.1 -1,-0.1 -0.457 70.0 119.6 -60.0 137.3 36.3 76.3 1.7 11 34 A G - 0 0 55 -2,-0.1 2,-0.0 -3,-0.1 -3,-0.0 -0.966 66.2 -44.5 176.2 175.9 38.0 73.0 2.5 12 35 A N + 0 0 93 -2,-0.3 28,-0.2 1,-0.1 3,-0.0 -0.346 40.9 177.4 -63.1 138.6 37.6 69.5 4.0 13 36 A T + 0 0 49 26,-0.1 93,-3.2 28,-0.0 2,-0.6 0.153 53.0 93.1-123.0 7.8 35.8 69.6 7.4 14 37 A K E +c 106 0B 51 91,-0.2 2,-0.3 93,-0.1 93,-0.2 -0.926 49.0 163.5-111.4 122.1 35.8 65.8 8.1 15 38 A F E -c 107 0B 24 91,-2.9 93,-3.1 -2,-0.6 2,-0.4 -0.801 19.8-146.8-135.7 161.3 38.6 64.3 10.1 16 39 A A E -c 108 0B 16 -2,-0.3 22,-0.4 91,-0.2 93,-0.2 -0.996 19.4-158.7-139.4 144.4 39.3 61.1 12.0 17 40 A I S S+ 0 0 7 91,-2.8 17,-2.0 -2,-0.4 2,-0.7 0.891 101.1 42.9 -81.3 -39.2 41.1 59.9 15.1 18 41 A V E S-H 33 0C 2 90,-0.4 -1,-0.3 15,-0.2 2,-0.3 -0.948 92.6-150.6-109.1 106.2 41.3 56.3 13.7 19 42 A E E -H 32 0C 67 13,-2.6 13,-2.4 -2,-0.7 2,-0.5 -0.619 3.0-147.5 -81.0 147.4 42.2 56.7 10.1 20 43 A V E -H 31 0C 20 -2,-0.3 2,-0.7 11,-0.2 11,-0.2 -0.949 10.8-136.8-119.2 126.0 41.0 54.2 7.4 21 44 A D > - 0 0 75 9,-2.7 3,-0.7 -2,-0.5 8,-0.0 -0.842 10.4-158.7 -83.4 117.6 43.2 53.5 4.4 22 45 A Q T 3 S+ 0 0 106 -2,-0.7 -1,-0.1 1,-0.3 8,-0.1 0.548 88.2 47.7 -74.8 -8.6 40.9 53.5 1.4 23 46 A A T 3 S+ 0 0 92 6,-0.1 2,-0.4 7,-0.0 -1,-0.3 -0.421 90.0 101.3-128.5 56.1 43.4 51.4 -0.7 24 47 A A < + 0 0 19 -3,-0.7 3,-0.0 1,-0.1 -3,-0.0 -0.999 35.7 175.8-138.2 136.3 44.3 48.7 1.7 25 48 A T + 0 0 87 -2,-0.4 2,-0.4 168,-0.1 171,-0.1 0.501 65.1 84.8-113.3 -13.5 43.2 45.1 1.9 26 49 A A S >> S- 0 0 5 1,-0.1 4,-2.0 169,-0.1 3,-1.3 -0.785 77.8-135.2 -90.7 133.1 45.5 44.0 4.8 27 50 A Y H 3> S+ 0 0 11 167,-2.9 4,-1.3 -2,-0.4 168,-0.1 0.848 103.0 61.7 -55.4 -39.0 44.1 44.7 8.3 28 51 A N H 34 S+ 0 0 68 166,-0.5 -1,-0.3 168,-0.4 167,-0.1 0.804 115.6 32.4 -55.1 -36.6 47.5 46.1 9.4 29 52 A N H <4 S+ 0 0 105 -3,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.690 105.9 73.6 -92.0 -25.4 47.3 48.8 6.8 30 53 A L H < S+ 0 0 1 -4,-2.0 -9,-2.7 -10,-0.1 2,-0.4 0.860 101.9 32.1 -61.3 -39.5 43.5 49.3 6.8 31 54 A V E < -H 20 0C 20 -4,-1.3 2,-0.4 -11,-0.2 -11,-0.2 -0.949 59.5-170.8-128.1 141.3 43.2 51.1 10.1 32 55 A K E -H 19 0C 127 -13,-2.4 -13,-2.6 -2,-0.4 2,-0.5 -0.952 14.0-150.7-127.3 112.6 45.6 53.5 11.9 33 56 A V E -H 18 0C 77 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.731 18.4-175.6 -85.3 122.2 44.8 54.5 15.5 34 57 A K - 0 0 24 -17,-2.0 3,-0.1 -2,-0.5 -2,-0.0 -0.794 35.4-125.5-108.4 163.5 46.2 58.0 16.3 35 58 A N S S+ 0 0 162 -2,-0.3 2,-0.3 1,-0.2 -17,-0.1 0.699 95.4 5.0 -79.7 -13.3 46.0 59.7 19.7 36 59 A A S S- 0 0 11 -19,-0.2 2,-0.3 -20,-0.1 44,-0.3 -0.988 81.0-100.7-162.8 156.0 44.3 62.6 17.9 37 60 A A E - B 0 79A 0 42,-3.1 42,-2.0 -2,-0.3 2,-0.7 -0.629 33.2-126.5 -82.5 142.2 42.9 63.7 14.6 38 61 A D E - B 0 78A 76 -22,-0.4 2,-0.3 -2,-0.3 40,-0.2 -0.783 36.2-172.7 -84.8 115.3 45.1 66.0 12.4 39 62 A V E - B 0 77A 0 38,-3.9 38,-2.4 -2,-0.7 2,-0.3 -0.867 10.0-169.6-114.0 149.7 42.8 69.0 11.6 40 63 A S E + B 0 76A 51 -2,-0.3 2,-0.3 36,-0.2 36,-0.2 -0.991 6.6 176.4-135.5 146.9 43.4 71.9 9.3 41 64 A V E - B 0 75A 8 34,-2.0 34,-2.8 -2,-0.3 2,-0.3 -0.981 5.9-169.6-145.5 142.0 41.6 75.2 8.7 42 65 A S E - B 0 74A 42 -2,-0.3 -33,-2.6 -33,-0.3 2,-0.3 -0.847 7.1-172.0-126.9 164.4 42.4 78.1 6.4 43 66 A W E -AB 8 73A 10 30,-1.9 30,-1.9 -35,-0.3 2,-0.3 -0.975 13.0-151.0-154.4 158.8 40.9 81.6 6.2 44 67 A N E -AB 7 72A 48 -37,-2.1 -37,-2.9 -2,-0.3 2,-0.6 -0.974 11.7-143.9-127.5 151.3 40.9 84.8 4.1 45 68 A L + 0 0 12 26,-2.5 3,-0.1 -2,-0.3 5,-0.1 -0.965 17.1 177.9-120.0 111.0 40.3 88.4 5.2 46 69 A W + 0 0 180 -2,-0.6 2,-0.3 -41,-0.4 -1,-0.1 0.601 69.4 28.9 -85.7 -17.1 38.4 90.3 2.5 47 70 A N S S- 0 0 135 -42,-0.2 -1,-0.2 2,-0.1 -42,-0.2 -0.956 100.8 -3.6-148.1 129.7 38.1 93.6 4.4 48 71 A G S S- 0 0 66 -2,-0.3 2,-0.3 -44,-0.1 -3,-0.1 -0.406 91.3 -17.6 103.3-172.5 40.2 95.3 7.1 49 72 A D - 0 0 96 -47,-0.3 -45,-2.7 -2,-0.1 3,-0.1 -0.636 51.6-139.1 -78.1 134.3 43.2 95.0 9.3 50 73 A T - 0 0 28 -2,-0.3 20,-0.2 1,-0.2 42,-0.2 0.405 38.4-132.6 -78.6 1.0 44.3 91.3 9.6 51 74 A G - 0 0 5 40,-0.1 42,-0.2 1,-0.1 -1,-0.2 -0.123 16.9 -97.1 78.2-179.7 45.0 91.7 13.3 52 75 A T S S+ 0 0 91 40,-2.5 16,-2.2 1,-0.3 2,-0.4 0.587 102.0 41.6-115.1 -16.6 48.2 90.5 14.9 53 76 A T E -DE 67 92B 46 39,-2.1 39,-2.9 14,-0.3 2,-0.4 -0.996 64.7-159.5-130.9 136.2 47.2 87.1 16.3 54 77 A A E -DE 66 91B 0 12,-3.6 12,-2.3 -2,-0.4 2,-0.3 -0.898 13.9-173.4-111.6 142.4 45.0 84.5 14.6 55 78 A K E -DE 65 90B 50 35,-2.7 35,-2.5 -2,-0.4 2,-0.5 -0.989 20.8-144.2-133.9 151.2 43.2 81.8 16.6 56 79 A V E -DE 64 89B 0 8,-2.2 7,-3.1 -2,-0.3 8,-1.2 -0.961 24.1-165.0-111.3 123.0 41.1 78.7 15.8 57 80 A L E -DE 62 88B 27 31,-3.4 31,-2.5 -2,-0.5 2,-0.5 -0.906 13.8-162.5-108.3 144.0 38.3 78.1 18.3 58 81 A L E > S-DE 61 87B 19 3,-2.8 3,-1.9 -2,-0.4 29,-0.2 -0.984 87.4 -19.4-120.7 114.0 36.2 75.0 18.8 59 82 A N T 3 S- 0 0 98 27,-2.8 -1,-0.1 -2,-0.5 28,-0.1 0.863 132.0 -50.9 54.2 38.8 33.0 75.7 20.7 60 83 A G T 3 S+ 0 0 50 26,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.282 116.1 115.0 85.0 -8.5 34.7 78.9 21.8 61 84 A K E < S-D 58 0B 161 -3,-1.9 -3,-2.8 1,-0.0 -1,-0.2 -0.806 71.1-111.0-102.0 131.1 37.9 77.3 23.1 62 85 A E E +D 57 0B 98 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.305 37.4 166.6 -63.3 125.7 41.3 77.9 21.5 63 86 A A E S+ 0 0 36 -7,-3.1 2,-0.3 1,-0.4 15,-0.3 0.510 72.8 7.7-108.2 -15.8 42.7 74.9 19.6 64 87 A W E -D 56 0B 60 -8,-1.2 -8,-2.2 13,-0.1 -1,-0.4 -0.967 59.7-179.4-161.8 151.7 45.5 76.9 17.9 65 88 A S E +D 55 0B 47 -2,-0.3 -10,-0.2 -10,-0.2 -12,-0.0 -0.978 13.8 148.2-154.6 146.1 47.0 80.4 17.9 66 89 A G E -D 54 0B 13 -12,-2.3 -12,-3.6 -2,-0.3 -2,-0.0 -0.972 52.4 -62.1-166.7 172.9 49.8 82.1 15.9 67 90 A P E -D 53 0B 103 0, 0.0 2,-0.8 0, 0.0 -14,-0.3 -0.342 45.3-130.0 -64.0 138.8 50.9 85.4 14.5 68 91 A S + 0 0 13 -16,-2.2 5,-0.1 24,-0.1 -18,-0.1 -0.905 37.3 166.6 -93.8 111.2 48.5 86.9 11.9 69 92 A T - 0 0 127 -2,-0.8 2,-0.3 3,-0.2 -1,-0.1 0.363 51.2 -10.5-113.2 6.3 50.8 87.8 9.0 70 93 A G S S- 0 0 31 -20,-0.2 -1,-0.1 -19,-0.0 0, 0.0 -0.976 86.2 -65.6-176.4-172.4 48.7 88.5 5.9 71 94 A S S S+ 0 0 74 -2,-0.3 -26,-2.5 -27,-0.1 2,-0.3 0.594 115.1 38.5 -70.4 -17.8 45.3 88.3 4.3 72 95 A S E +B 44 0A 71 -28,-0.2 2,-0.3 -66,-0.1 -28,-0.2 -0.969 66.6 174.3-131.9 158.5 45.2 84.5 4.3 73 96 A G E -B 43 0A 20 -30,-1.9 -30,-1.9 -2,-0.3 2,-0.3 -0.964 17.0-149.2-157.7 163.8 46.4 81.9 6.8 74 97 A T E -B 42 0A 82 -2,-0.3 2,-0.4 -32,-0.2 -32,-0.2 -0.994 9.2-165.2-138.9 138.4 46.4 78.2 7.6 75 98 A A E -B 41 0A 0 -34,-2.8 -34,-2.0 -2,-0.3 2,-0.4 -0.997 2.3-167.7-127.6 135.2 46.4 76.3 10.9 76 99 A N E +B 40 0A 107 -2,-0.4 2,-0.3 -36,-0.2 -36,-0.2 -0.981 26.1 144.9-121.4 127.7 47.2 72.7 11.5 77 100 A F E -B 39 0A 17 -38,-2.4 -38,-3.9 -2,-0.4 2,-0.4 -0.911 41.8-102.6-154.8 172.6 46.4 71.2 15.0 78 101 A K E -B 38 0A 134 -15,-0.3 2,-0.5 -2,-0.3 -40,-0.2 -0.864 16.9-164.0-110.1 145.4 45.2 68.1 16.8 79 102 A V E -B 37 0A 10 -42,-2.0 -42,-3.1 -2,-0.4 -16,-0.0 -0.995 2.9-172.1-126.5 118.6 41.8 67.2 18.2 80 103 A N + 0 0 125 -2,-0.5 2,-0.4 -44,-0.3 -1,-0.1 0.415 62.4 64.7-101.3 14.8 41.7 64.3 20.6 81 104 A K S S- 0 0 139 -44,-0.1 -1,-0.1 28,-0.0 26,-0.1 -0.984 77.0-126.0-135.9 128.6 38.0 63.8 21.2 82 105 A G + 0 0 6 -2,-0.4 2,-0.3 24,-0.1 26,-0.2 -0.274 59.4 84.4 -67.7 153.3 35.4 62.7 18.6 83 106 A G E S- F 0 107B 10 24,-2.5 24,-2.9 2,-0.0 2,-0.4 -0.932 78.0 -65.3 147.1-170.6 32.3 64.7 18.0 84 107 A R E - 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