==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-NOV-03 1RD6 . COMPND 2 MOLECULE: CHITINASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: SERRATIA MARCESCENS; . AUTHOR N.N.ARONSON,B.A.HALLORAN,M.F.ALEXYEV,X.E.ZHOU,Y.WANG, . 540 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21577.0 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 . 46 8.5 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 . 1 0.2 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 . 61 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 19.1 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 3 3 0 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 0 109 0, 0.0 94,-0.2 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0 175.9 -18.2 -33.7 56.7 2 25 A A - 0 0 45 93,-0.1 47,-0.3 1,-0.1 95,-0.1 -0.220 360.0 -92.4 -63.4 155.8 -17.7 -30.0 57.2 3 26 A P - 0 0 7 0, 0.0 47,-0.2 0, 0.0 -1,-0.1 -0.055 46.6 -90.3 -63.4 168.2 -15.3 -28.1 54.9 4 27 A G - 0 0 13 45,-2.6 87,-0.2 1,-0.1 94,-0.1 -0.328 48.7 -91.7 -76.1 164.7 -11.6 -27.5 55.8 5 28 A K - 0 0 108 42,-0.1 41,-0.3 85,-0.1 42,-0.2 -0.702 46.7-143.8 -82.7 114.2 -10.5 -24.4 57.7 6 29 A P - 0 0 2 0, 0.0 95,-0.4 0, 0.0 2,-0.4 -0.133 5.3-134.0 -70.8 170.9 -9.7 -21.7 55.1 7 30 A T E -A 44 0A 74 37,-3.1 37,-3.1 93,-0.1 2,-0.3 -0.995 15.4-120.8-133.8 132.4 -6.9 -19.1 55.5 8 31 A I E -A 43 0A 38 -2,-0.4 35,-0.3 35,-0.2 2,-0.1 -0.535 31.6-133.3 -74.8 131.4 -7.0 -15.4 54.9 9 32 A A - 0 0 31 33,-2.9 33,-0.3 -2,-0.3 -1,-0.1 -0.462 29.0 -83.1 -86.9 157.1 -4.6 -14.1 52.2 10 33 A W S S+ 0 0 250 -2,-0.1 2,-0.2 31,-0.1 -1,-0.1 -0.150 71.3 117.2 -52.4 148.1 -2.3 -11.2 52.3 11 34 A G - 0 0 32 -3,-0.1 31,-0.0 30,-0.0 -3,-0.0 -0.656 67.2 -63.6 155.1 147.7 -3.9 -7.8 51.4 12 35 A N - 0 0 88 -2,-0.2 28,-0.2 1,-0.1 3,-0.0 -0.120 36.5-172.1 -48.6 142.4 -4.7 -4.4 52.7 13 36 A T + 0 0 50 26,-0.1 93,-2.7 92,-0.0 2,-0.5 0.320 54.7 91.2-121.6 6.1 -7.2 -4.4 55.6 14 37 A K E +c 106 0B 47 91,-0.2 2,-0.3 93,-0.1 93,-0.2 -0.908 46.4 159.0-111.7 126.9 -7.9 -0.7 56.0 15 38 A F E -c 107 0B 38 91,-3.2 93,-3.0 -2,-0.5 2,-0.4 -0.842 22.0-142.9-134.3 170.7 -10.8 0.9 54.1 16 39 A A E -c 108 0B 13 -2,-0.3 22,-0.3 91,-0.2 3,-0.2 -0.994 20.0-155.9-147.8 140.2 -12.9 4.1 54.5 17 40 A I S S+ 0 0 8 91,-3.1 17,-1.5 -2,-0.4 2,-0.7 0.880 102.0 41.1 -72.9 -39.8 -16.5 5.2 54.0 18 41 A V E S-H 33 0C 2 90,-0.5 -1,-0.3 15,-0.2 2,-0.2 -0.928 87.9-149.9-112.9 109.6 -15.2 8.8 53.5 19 42 A E E -H 32 0C 81 13,-2.0 13,-2.0 -2,-0.7 2,-0.4 -0.566 10.2-166.5 -81.9 141.5 -12.1 8.9 51.4 20 43 A V E -H 31 0C 19 -2,-0.2 2,-1.1 11,-0.2 11,-0.2 -0.990 20.3-134.6-129.9 123.9 -9.4 11.5 52.0 21 44 A D > - 0 0 84 9,-1.6 3,-1.8 -2,-0.4 8,-0.1 -0.655 14.3-156.2 -78.4 102.7 -6.6 12.3 49.6 22 45 A Q T 3 S+ 0 0 56 -2,-1.1 -1,-0.2 1,-0.3 8,-0.1 0.504 91.2 44.4 -59.3 -0.6 -3.6 12.6 51.9 23 46 A A T 3 S+ 0 0 79 7,-0.1 -1,-0.3 0, 0.0 7,-0.1 0.485 83.7 115.3-120.7 -8.6 -1.8 14.7 49.3 24 47 A A < - 0 0 10 -3,-1.8 3,-0.1 5,-0.2 170,-0.0 -0.258 37.7-174.5 -64.2 151.3 -4.5 17.1 48.1 25 48 A T + 0 0 79 168,-0.1 2,-0.5 1,-0.1 -1,-0.1 0.553 67.6 76.0-116.4 -21.8 -4.2 20.8 48.8 26 49 A A S >> S- 0 0 4 1,-0.1 3,-2.2 169,-0.1 4,-0.7 -0.799 76.5-138.8 -95.8 129.7 -7.6 21.8 47.4 27 50 A Y H >> S+ 0 0 10 167,-2.7 3,-1.2 -2,-0.5 4,-0.9 0.866 102.9 61.7 -52.8 -39.3 -10.6 21.1 49.6 28 51 A N H 34 S+ 0 0 74 166,-0.5 -1,-0.3 168,-0.3 167,-0.1 0.596 111.7 38.4 -65.8 -10.3 -12.6 19.9 46.6 29 52 A N H <4 S+ 0 0 113 -3,-2.2 -8,-0.3 -8,-0.1 -1,-0.3 0.368 102.0 77.3-116.8 -0.2 -10.1 17.2 46.1 30 53 A L H << S+ 0 0 1 -3,-1.2 -9,-1.6 -4,-0.7 2,-0.4 0.856 97.6 25.1 -80.4 -38.5 -9.6 16.4 49.7 31 54 A V E < -H 20 0C 30 -4,-0.9 2,-0.4 -11,-0.2 -11,-0.2 -0.981 48.6-177.5-136.7 145.4 -12.7 14.4 50.5 32 55 A K E -H 19 0C 127 -13,-2.0 -13,-2.0 -2,-0.4 2,-0.4 -0.973 21.9-144.4-138.3 118.0 -15.3 12.2 48.8 33 56 A V E -H 18 0C 79 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.697 17.3-173.0 -87.5 133.2 -18.2 10.8 50.8 34 57 A K - 0 0 35 -17,-1.5 3,-0.1 -2,-0.4 -2,-0.0 -0.871 31.5-129.6-121.1 155.8 -19.4 7.3 50.0 35 58 A N S S+ 0 0 135 -2,-0.3 2,-0.3 1,-0.2 -18,-0.1 0.680 92.6 3.6 -77.7 -15.9 -22.5 5.5 51.3 36 59 A A S S- 0 0 4 -19,-0.2 2,-0.3 -20,-0.1 44,-0.3 -0.982 77.9-105.5-163.3 156.1 -20.4 2.5 52.1 37 60 A A E - B 0 79A 0 42,-3.1 42,-1.8 -2,-0.3 2,-0.9 -0.695 29.5-126.7 -90.8 140.0 -16.8 1.3 52.0 38 61 A D E - B 0 78A 84 -2,-0.3 2,-0.3 -22,-0.3 40,-0.2 -0.764 34.5-175.3 -88.8 107.5 -15.6 -1.2 49.3 39 62 A V E - B 0 77A 3 38,-2.7 38,-2.1 -2,-0.9 2,-0.3 -0.718 8.6-168.9-103.6 151.1 -14.0 -4.1 51.1 40 63 A S E + B 0 76A 50 -2,-0.3 2,-0.3 36,-0.2 36,-0.2 -0.999 5.0 179.9-141.5 139.4 -12.2 -7.1 49.6 41 64 A V E - B 0 75A 10 34,-2.2 34,-3.1 -2,-0.3 2,-0.3 -0.999 4.3-169.9-140.8 139.4 -11.0 -10.4 51.1 42 65 A S E - B 0 74A 37 -2,-0.3 -33,-2.9 -33,-0.3 2,-0.3 -0.928 8.6-173.3-127.4 153.6 -9.3 -13.4 49.6 43 66 A W E -AB 8 73A 11 30,-2.2 30,-1.8 -2,-0.3 2,-0.3 -0.935 13.5-146.8-144.9 166.6 -8.5 -16.8 51.1 44 67 A N E -AB 7 72A 39 -37,-3.1 -37,-3.1 -2,-0.3 2,-0.3 -0.902 0.8-163.2-131.5 158.8 -6.8 -20.1 50.5 45 68 A L + 0 0 8 26,-1.3 3,-0.1 -2,-0.3 5,-0.0 -0.848 12.3 171.3-145.1 102.0 -7.5 -23.7 51.5 46 69 A W S S+ 0 0 197 -2,-0.3 2,-0.3 -41,-0.3 -1,-0.1 0.543 70.2 33.1 -91.5 -7.7 -4.6 -26.1 51.4 47 70 A N S S+ 0 0 136 -42,-0.2 -1,-0.2 24,-0.1 -42,-0.1 -0.986 98.1 18.7-151.0 139.5 -6.4 -29.0 53.0 48 71 A G S S- 0 0 62 -2,-0.3 2,-0.1 -44,-0.1 -3,-0.0 -0.196 93.0 -42.3 95.5 170.3 -10.0 -30.3 53.2 49 72 A D - 0 0 102 -47,-0.3 -45,-2.6 1,-0.1 3,-0.1 -0.428 44.8-136.4 -71.2 145.5 -13.1 -29.9 51.1 50 73 A A - 0 0 19 1,-0.2 42,-0.2 -47,-0.2 20,-0.2 0.524 38.3-137.8 -82.2 -4.7 -13.8 -26.3 49.9 51 74 A G - 0 0 8 40,-0.2 42,-0.3 1,-0.1 -1,-0.2 -0.323 19.2 -95.0 78.2-167.3 -17.5 -26.6 50.7 52 75 A T S S+ 0 0 89 40,-3.4 16,-2.2 1,-0.3 2,-0.4 0.566 102.2 44.6-122.8 -20.6 -20.2 -25.3 48.4 53 76 A T E -DE 67 92B 46 39,-2.4 39,-3.0 14,-0.3 2,-0.4 -0.978 63.8-157.7-129.4 138.8 -20.8 -21.9 49.9 54 77 A A E -DE 66 91B 0 12,-3.3 12,-1.4 -2,-0.4 2,-0.4 -0.962 14.1-173.1-117.4 132.7 -18.3 -19.2 51.0 55 78 A K E -DE 65 90B 48 35,-3.0 35,-3.2 -2,-0.4 2,-0.6 -0.947 20.0-142.8-128.0 146.7 -19.3 -16.5 53.5 56 79 A I E -DE 64 89B 0 8,-2.9 7,-3.2 -2,-0.4 8,-0.8 -0.945 22.5-161.2-107.8 120.0 -17.6 -13.4 54.9 57 80 A L E -DE 62 88B 28 31,-3.1 31,-2.5 -2,-0.6 2,-0.6 -0.894 10.3-165.1-107.8 130.7 -18.4 -12.9 58.5 58 81 A L E > S-DE 61 87B 3 3,-3.4 3,-2.1 -2,-0.5 29,-0.2 -0.951 84.7 -22.0-113.5 110.0 -17.9 -9.6 60.3 59 82 A N T 3 S- 0 0 96 27,-2.8 -1,-0.2 -2,-0.6 28,-0.1 0.876 128.3 -52.9 56.3 38.1 -18.1 -10.0 64.1 60 83 A G T 3 S+ 0 0 52 26,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.254 116.3 117.3 83.6 -13.6 -20.0 -13.2 63.4 61 84 A K E < S-D 58 0B 117 -3,-2.1 -3,-3.4 1,-0.0 -1,-0.2 -0.769 70.8-116.5 -93.1 129.4 -22.5 -11.5 61.3 62 85 A E E +D 57 0B 93 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.420 39.2 165.6 -64.8 130.0 -22.7 -12.5 57.6 63 86 A A E + 0 0 25 -7,-3.2 2,-0.3 1,-0.4 15,-0.2 0.410 65.6 10.7-124.4 -3.5 -21.8 -9.8 55.2 64 87 A W E -D 56 0B 60 -8,-0.8 -8,-2.9 13,-0.1 -1,-0.4 -0.903 57.0-179.8-174.1 143.9 -21.3 -11.7 52.0 65 88 A S E +D 55 0B 56 -2,-0.3 -10,-0.2 -10,-0.3 -12,-0.0 -0.954 12.8 149.0-146.4 160.4 -21.9 -15.2 50.6 66 89 A G E -D 54 0B 13 -12,-1.4 -12,-3.3 -2,-0.3 -2,-0.0 -0.950 51.4 -57.6 179.0 165.5 -21.3 -16.9 47.3 67 90 A P E -D 53 0B 109 0, 0.0 2,-1.0 0, 0.0 -14,-0.3 -0.304 43.7-136.3 -59.8 139.0 -20.5 -20.2 45.5 68 91 A S + 0 0 15 -16,-2.2 -18,-0.1 1,-0.1 5,-0.1 -0.820 34.8 165.1 -99.2 95.1 -17.3 -21.8 46.8 69 92 A T + 0 0 138 -2,-1.0 2,-0.3 3,-0.1 -1,-0.1 0.413 53.8 4.6 -94.6 1.9 -15.7 -22.9 43.5 70 93 A G S S- 0 0 26 -20,-0.2 -1,-0.0 2,-0.1 0, 0.0 -0.987 80.6 -84.0-169.2 178.1 -12.2 -23.6 44.5 71 94 A S S S+ 0 0 62 -2,-0.3 -26,-1.3 -27,-0.0 2,-0.3 0.528 115.1 42.4 -71.3 -4.6 -9.4 -24.0 47.1 72 95 A S E +B 44 0A 56 -28,-0.2 2,-0.3 -66,-0.1 -28,-0.2 -0.966 69.8 161.6-139.6 155.5 -9.0 -20.2 46.7 73 96 A G E -B 43 0A 19 -30,-1.8 -30,-2.2 -2,-0.3 2,-0.3 -0.996 25.3-139.4-167.0 168.4 -11.3 -17.2 46.4 74 97 A T E -B 42 0A 76 -2,-0.3 2,-0.4 -32,-0.2 -32,-0.2 -0.998 12.2-163.2-139.1 140.1 -12.1 -13.5 46.6 75 98 A A E -B 41 0A 0 -34,-3.1 -34,-2.2 -2,-0.3 2,-0.5 -0.989 1.1-168.4-127.8 130.7 -15.1 -11.6 48.0 76 99 A N E +B 40 0A 113 -2,-0.4 2,-0.3 -36,-0.2 -36,-0.2 -0.979 26.0 146.2-119.1 124.7 -16.0 -8.0 47.3 77 100 A F E -B 39 0A 16 -38,-2.1 -38,-2.7 -2,-0.5 2,-0.3 -0.947 40.8-104.4-151.3 170.7 -18.7 -6.4 49.4 78 101 A K E -B 38 0A 125 -2,-0.3 2,-0.4 -15,-0.2 -40,-0.2 -0.744 15.3-163.6-106.0 148.8 -19.8 -3.2 51.0 79 102 A V E -B 37 0A 5 -42,-1.8 -42,-3.1 -2,-0.3 -16,-0.0 -0.968 3.9-175.6-130.8 112.8 -19.7 -2.0 54.6 80 103 A N + 0 0 125 -2,-0.4 2,-0.4 -44,-0.3 -1,-0.1 0.210 64.3 64.1 -94.8 14.0 -21.9 0.9 55.4 81 104 A K S S- 0 0 140 -44,-0.1 26,-0.1 2,-0.0 -1,-0.0 -0.988 78.6-122.0-142.8 132.3 -20.9 1.4 59.0 82 105 A G + 0 0 5 -2,-0.4 2,-0.3 24,-0.1 26,-0.2 -0.254 53.3 97.8 -70.3 156.3 -17.5 2.3 60.6 83 106 A G E S- F 0 107B 9 24,-2.4 24,-2.5 2,-0.1 2,-0.7 -0.870 72.0 -78.9 152.7 173.4 -15.6 0.2 63.0 84 107 A R E - 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