==== 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 18-DEC-02 1NH6 . COMPND 2 MOLECULE: CHITINASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: SERRATIA MARCESCENS; . AUTHOR N.N.ARONSON JR.,B.A.HALLORAN,M.F.ALEXYEV,L.AMABLE,J.D.MADURA . 540 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22158.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 365 67.6 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 13.3 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 . 39 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 11.9 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 . 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 0 103 0, 0.0 94,-0.3 0, 0.0 95,-0.2 0.000 360.0 360.0 360.0 150.2 17.5 101.9 57.1 2 25 A A - 0 0 41 93,-0.4 47,-0.3 1,-0.1 95,-0.1 -0.126 360.0 -83.9 -62.4 163.9 17.4 98.1 57.2 3 26 A P - 0 0 6 0, 0.0 47,-0.2 0, 0.0 -1,-0.1 -0.131 49.6 -93.2 -66.5 166.2 14.9 96.2 55.1 4 27 A G - 0 0 17 45,-2.9 87,-0.2 1,-0.1 94,-0.2 -0.250 47.3 -92.0 -73.5 170.1 11.2 95.6 56.0 5 28 A K - 0 0 111 42,-0.2 41,-0.3 85,-0.1 42,-0.2 -0.765 43.0-150.4 -89.5 117.3 10.2 92.4 57.8 6 29 A P - 0 0 2 0, 0.0 95,-0.4 0, 0.0 2,-0.3 -0.318 3.9-135.0 -82.6 166.6 9.0 89.6 55.4 7 30 A T E -A 44 0A 75 37,-2.7 37,-2.2 93,-0.1 2,-0.3 -0.909 21.0-111.8-121.0 150.0 6.5 86.9 56.0 8 31 A I E -A 43 0A 41 -2,-0.3 35,-0.3 35,-0.2 2,-0.2 -0.643 34.4-130.5 -81.7 134.9 6.8 83.1 55.2 9 32 A A - 0 0 31 33,-2.7 33,-0.3 -2,-0.3 -1,-0.1 -0.512 31.9 -83.3 -87.1 154.9 4.4 81.9 52.5 10 33 A W S S+ 0 0 246 -2,-0.2 2,-0.2 31,-0.1 -1,-0.1 -0.153 72.5 120.7 -49.5 145.3 2.1 78.9 52.6 11 34 A G - 0 0 34 -3,-0.1 -3,-0.0 30,-0.0 31,-0.0 -0.741 65.5 -66.6 160.3 151.1 3.9 75.6 51.8 12 35 A N - 0 0 92 -2,-0.2 28,-0.2 1,-0.1 3,-0.0 -0.238 35.1-173.8 -55.3 140.3 4.8 72.2 53.0 13 36 A T + 0 0 50 26,-0.1 93,-2.5 92,-0.0 2,-0.6 0.293 53.9 94.3-119.7 5.6 7.3 72.2 55.9 14 37 A K E +c 106 0B 53 91,-0.2 2,-0.2 93,-0.1 93,-0.2 -0.901 46.0 158.0-109.4 120.1 8.0 68.5 56.2 15 38 A F E -c 107 0B 39 91,-3.1 93,-2.8 -2,-0.6 2,-0.3 -0.793 22.2-144.7-130.8 171.6 11.0 66.9 54.4 16 39 A A E -c 108 0B 12 91,-0.3 22,-0.3 -2,-0.2 93,-0.2 -0.996 20.3-157.5-148.3 141.5 13.2 63.8 54.8 17 40 A I S S+ 0 0 7 91,-3.3 17,-1.4 -2,-0.3 2,-0.6 0.857 100.2 41.5 -78.6 -38.1 16.8 62.7 54.3 18 41 A V E S-H 33 0C 3 90,-0.7 2,-0.3 15,-0.2 -1,-0.3 -0.957 88.7-146.4-112.6 117.9 15.6 59.1 53.9 19 42 A E E -H 32 0C 100 13,-2.7 13,-2.5 -2,-0.6 2,-0.4 -0.639 12.7-169.0 -89.1 140.8 12.5 58.8 51.7 20 43 A V E -H 31 0C 21 -2,-0.3 2,-0.9 11,-0.2 11,-0.2 -0.996 19.7-137.3-129.2 129.2 9.8 56.2 52.3 21 44 A D > - 0 0 80 9,-2.3 3,-1.3 -2,-0.4 8,-0.1 -0.780 13.2-158.3 -87.0 107.3 7.0 55.5 49.8 22 45 A Q T 3 S+ 0 0 56 -2,-0.9 -1,-0.1 1,-0.2 8,-0.1 0.487 89.3 45.5 -65.6 -4.3 3.9 55.1 52.1 23 46 A A T 3 S+ 0 0 83 7,-0.1 -1,-0.2 0, 0.0 7,-0.1 0.453 86.4 115.4-116.5 -4.3 2.0 53.1 49.4 24 47 A A < - 0 0 10 -3,-1.3 3,-0.1 5,-0.1 170,-0.0 -0.308 37.1-178.0 -69.8 148.8 4.8 50.7 48.3 25 48 A T + 0 0 84 168,-0.1 2,-0.4 183,-0.1 171,-0.1 0.559 66.5 76.5-115.6 -23.6 4.6 46.9 48.9 26 49 A A S >> S- 0 0 6 1,-0.1 3,-1.6 169,-0.1 4,-1.0 -0.793 75.5-139.2 -94.5 131.1 8.0 46.0 47.5 27 50 A Y H >> S+ 0 0 12 167,-2.8 4,-1.0 -2,-0.4 3,-0.5 0.853 102.3 59.4 -55.0 -39.0 11.0 46.7 49.6 28 51 A N H 34 S+ 0 0 75 166,-0.4 -1,-0.3 168,-0.4 167,-0.1 0.703 113.6 37.8 -65.8 -18.2 13.1 47.9 46.7 29 52 A N H <4 S+ 0 0 119 -3,-1.6 -1,-0.2 1,-0.1 -8,-0.2 0.476 104.4 75.2-106.2 -9.0 10.4 50.7 46.1 30 53 A L H << S+ 0 0 1 -4,-1.0 -9,-2.3 -3,-0.5 2,-0.3 0.858 97.9 26.4 -74.0 -39.3 9.8 51.3 49.8 31 54 A V E < -H 20 0C 25 -4,-1.0 2,-0.4 -11,-0.2 -11,-0.2 -0.969 51.0-175.5-136.2 146.9 12.9 53.3 50.8 32 55 A K E -H 19 0C 138 -13,-2.5 -13,-2.7 -2,-0.3 2,-0.4 -0.942 16.3-148.5-141.7 115.5 15.5 55.6 49.3 33 56 A V E -H 18 0C 70 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.695 19.3-178.5 -86.8 131.5 18.5 57.0 51.2 34 57 A K - 0 0 44 -17,-1.4 3,-0.1 -2,-0.4 -17,-0.0 -0.796 36.9-123.5-121.6 165.6 19.8 60.4 50.2 35 58 A N S S- 0 0 159 -2,-0.3 2,-0.3 1,-0.2 -18,-0.1 0.729 92.0 -2.6 -81.1 -21.2 22.7 62.5 51.4 36 59 A A S S- 0 0 10 -19,-0.2 2,-0.3 -20,-0.1 44,-0.2 -0.992 72.1-103.3-162.2 164.8 20.4 65.3 52.3 37 60 A A E - B 0 79A 0 42,-2.7 42,-2.0 -2,-0.3 2,-0.9 -0.747 31.1-129.4 -95.1 142.9 16.8 66.6 52.2 38 61 A D E - B 0 78A 92 -2,-0.3 2,-0.3 -22,-0.3 40,-0.2 -0.822 31.6-170.3 -95.1 104.5 15.8 69.2 49.5 39 62 A V E - B 0 77A 2 38,-3.0 38,-2.7 -2,-0.9 2,-0.4 -0.704 6.7-168.0 -97.6 147.1 14.1 72.0 51.4 40 63 A S E - B 0 76A 48 -2,-0.3 2,-0.3 36,-0.2 36,-0.2 -0.991 5.4-180.0-134.9 142.6 12.3 74.9 49.8 41 64 A V E - B 0 75A 8 34,-2.2 34,-2.8 -2,-0.4 2,-0.3 -0.998 5.7-166.6-143.4 139.9 11.0 78.2 51.3 42 65 A S E - B 0 74A 38 -2,-0.3 -33,-2.7 -33,-0.3 2,-0.3 -0.931 9.5-174.6-126.2 152.3 9.1 81.2 49.9 43 66 A W E -AB 8 73A 12 30,-2.2 30,-1.6 -2,-0.3 2,-0.3 -0.904 13.2-148.5-142.6 169.0 8.4 84.6 51.3 44 67 A N E -AB 7 72A 41 -37,-2.2 -37,-2.7 -2,-0.3 2,-0.4 -0.975 2.4-163.3-138.2 149.6 6.6 87.9 50.8 45 68 A L + 0 0 7 26,-3.0 3,-0.1 -2,-0.3 5,-0.0 -0.897 12.8 171.9-134.8 101.3 7.3 91.5 51.7 46 69 A W + 0 0 192 -2,-0.4 2,-0.4 -41,-0.3 -1,-0.1 0.838 68.4 32.3 -81.2 -33.0 4.3 93.7 51.4 47 70 A N S S+ 0 0 142 -42,-0.2 -1,-0.2 2,-0.1 -42,-0.2 -0.981 99.8 11.6-133.5 132.1 5.7 96.9 53.0 48 71 A G S S- 0 0 56 -2,-0.4 2,-0.1 -44,-0.1 -3,-0.0 -0.347 92.2 -31.2 106.2 173.3 9.2 98.3 53.0 49 72 A D - 0 0 98 -47,-0.3 -45,-2.9 1,-0.1 3,-0.1 -0.425 45.5-147.8 -66.3 138.3 12.6 98.0 51.3 50 73 A T - 0 0 27 1,-0.3 42,-0.2 -47,-0.2 20,-0.2 0.419 34.1-137.7 -91.1 2.1 13.3 94.5 50.3 51 74 A G - 0 0 7 40,-0.2 -1,-0.3 1,-0.1 42,-0.2 -0.198 18.6 -92.1 73.8-168.4 17.1 94.8 50.8 52 75 A T S S+ 0 0 93 40,-3.2 16,-1.8 1,-0.3 2,-0.4 0.575 102.2 43.3-121.1 -20.0 19.8 93.5 48.5 53 76 A T E -DE 67 92B 50 39,-2.1 39,-2.9 14,-0.3 2,-0.4 -0.996 63.8-157.6-131.9 135.1 20.6 90.0 50.0 54 77 A A E -DE 66 91B 0 12,-3.6 12,-2.1 -2,-0.4 2,-0.3 -0.908 14.6-174.0-110.7 139.0 18.1 87.4 51.2 55 78 A K E -DE 65 90B 56 35,-2.6 35,-2.9 -2,-0.4 2,-0.5 -0.975 20.3-142.6-134.5 147.7 19.1 84.7 53.6 56 79 A V E -DE 64 89B 0 8,-2.1 7,-3.0 -2,-0.3 8,-1.0 -0.936 22.1-161.3-107.7 128.3 17.5 81.6 55.1 57 80 A L E -DE 62 88B 31 31,-3.0 31,-2.2 -2,-0.5 2,-0.5 -0.918 10.2-164.0-113.8 137.8 18.4 80.9 58.7 58 81 A L E > S-DE 61 87B 17 3,-2.8 3,-2.3 -2,-0.4 29,-0.2 -0.976 86.1 -20.8-119.5 113.3 18.0 77.6 60.6 59 82 A N T 3 S- 0 0 91 27,-2.6 -1,-0.1 -2,-0.5 28,-0.1 0.879 131.0 -52.4 53.0 36.7 18.2 78.1 64.4 60 83 A G T 3 S+ 0 0 50 26,-0.5 2,-0.4 1,-0.2 -1,-0.3 0.416 115.1 118.0 82.6 -1.5 19.9 81.3 63.5 61 84 A K E < S-D 58 0B 158 -3,-2.3 -3,-2.8 1,-0.0 -1,-0.2 -0.849 70.6-111.1-103.4 133.5 22.5 79.8 61.3 62 85 A E E +D 57 0B 109 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.381 40.6 164.4 -63.5 129.3 22.8 80.7 57.6 63 86 A A E + 0 0 39 -7,-3.0 2,-0.3 1,-0.4 15,-0.2 0.491 67.2 8.2-119.9 -12.5 21.8 77.9 55.3 64 87 A W E -D 56 0B 65 -8,-1.0 -8,-2.1 13,-0.1 -1,-0.4 -0.969 58.5-178.1-165.5 152.7 21.3 79.8 52.0 65 88 A S E +D 55 0B 60 -2,-0.3 -10,-0.2 -10,-0.2 -12,-0.0 -0.982 12.9 146.8-156.5 151.2 21.8 83.3 50.6 66 89 A G E -D 54 0B 13 -12,-2.1 -12,-3.6 -2,-0.3 2,-0.1 -0.973 52.4 -58.6-173.3 169.6 21.2 85.1 47.3 67 90 A P E -D 53 0B 109 0, 0.0 2,-0.8 0, 0.0 -14,-0.3 -0.369 45.8-132.5 -63.3 137.0 20.3 88.5 45.8 68 91 A S + 0 0 14 -16,-1.8 -18,-0.1 24,-0.2 5,-0.1 -0.835 33.3 169.7 -92.8 109.9 16.9 89.9 47.0 69 92 A T - 0 0 135 -2,-0.8 2,-0.3 3,-0.2 -1,-0.1 0.490 50.2 -19.0-103.3 -4.0 15.1 91.0 43.8 70 93 A G S S- 0 0 23 -20,-0.2 -1,-0.0 2,-0.1 0, 0.0 -0.954 83.8 -58.0-173.4-166.1 11.6 91.9 44.8 71 94 A S S S+ 0 0 65 -2,-0.3 -26,-3.0 -27,-0.1 2,-0.3 0.399 116.4 34.2 -77.1 1.7 8.6 91.8 47.2 72 95 A S E +B 44 0A 65 -28,-0.3 2,-0.3 -66,-0.1 -28,-0.2 -0.989 66.5 165.1-152.9 154.7 8.6 87.9 46.9 73 96 A G E -B 43 0A 19 -30,-1.6 -30,-2.2 -2,-0.3 2,-0.3 -0.988 21.8-139.8-163.9 169.7 11.1 85.1 46.6 74 97 A T E -B 42 0A 75 -2,-0.3 2,-0.4 -32,-0.2 -32,-0.2 -0.996 11.2-163.4-140.4 142.3 11.9 81.4 46.8 75 98 A A E -B 41 0A 0 -34,-2.8 -34,-2.2 -2,-0.3 2,-0.5 -0.992 1.9-165.8-130.5 134.8 15.0 79.5 48.1 76 99 A N E +B 40 0A 111 -2,-0.4 2,-0.3 -36,-0.2 -36,-0.2 -0.983 25.9 150.7-119.8 125.4 15.9 75.9 47.5 77 100 A F E -B 39 0A 15 -38,-2.7 -38,-3.0 -2,-0.5 2,-0.3 -0.973 38.9-108.1-151.7 164.7 18.6 74.3 49.7 78 101 A K E -B 38 0A 139 -2,-0.3 2,-0.4 -40,-0.2 -40,-0.2 -0.733 16.7-166.8-101.1 144.8 19.9 71.1 51.2 79 102 A V E -B 37 0A 8 -42,-2.0 -42,-2.7 -2,-0.3 -16,-0.0 -0.980 4.3-177.9-129.0 115.8 19.8 70.0 54.9 80 103 A N + 0 0 129 -2,-0.4 2,-0.4 -44,-0.2 -1,-0.1 0.270 62.4 69.1 -99.8 11.3 22.0 67.0 55.7 81 104 A K S S- 0 0 140 -44,-0.1 26,-0.1 2,-0.0 -1,-0.1 -0.985 78.4-125.5-134.2 125.9 21.1 66.6 59.4 82 105 A G + 0 0 7 -2,-0.4 2,-0.3 24,-0.1 26,-0.2 -0.199 54.9 93.8 -65.0 157.0 17.8 65.5 60.8 83 106 A G E S- F 0 107B 11 24,-2.5 24,-2.8 2,-0.0 2,-0.6 -0.880 73.4 -74.1 149.4 178.9 15.8 67.6 63.3 84 107 A R E - 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