==== 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 04-JUN-09 2WK2 . 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, . 539 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21612.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 368 68.3 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 . 63 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 18.7 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,-0.1 0.000 360.0 360.0 360.0 149.1 98.8 60.4 0.0 2 25 A A - 0 0 42 93,-0.2 47,-0.4 1,-0.1 95,-0.1 -0.210 360.0 -82.0 -66.7 164.2 95.0 60.8 0.7 3 26 A P - 0 0 5 0, 0.0 47,-0.2 0, 0.0 -1,-0.1 -0.265 52.5 -93.2 -66.3 162.0 92.7 59.6 -2.1 4 27 A G - 0 0 14 45,-2.4 87,-0.2 1,-0.1 94,-0.2 -0.212 49.3 -91.6 -64.3 163.5 92.0 61.9 -5.2 5 28 A K - 0 0 107 42,-0.2 41,-0.4 85,-0.1 42,-0.3 -0.721 44.7-136.3 -82.7 114.3 88.9 64.1 -5.1 6 29 A P - 0 0 3 0, 0.0 2,-0.5 0, 0.0 95,-0.4 -0.347 6.3-136.5 -71.4 155.1 85.9 62.3 -6.6 7 30 A T E -A 44 0A 70 37,-2.9 37,-2.4 93,-0.1 2,-0.3 -0.950 20.3-123.6-107.5 128.4 83.4 63.9 -9.0 8 31 A I E -A 43 0A 27 -2,-0.5 35,-0.3 35,-0.2 2,-0.1 -0.533 30.9-119.9 -70.0 131.7 79.7 63.2 -8.5 9 32 A A - 0 0 30 33,-2.4 33,-0.3 -2,-0.3 2,-0.1 -0.471 27.4-104.1 -73.9 145.5 78.2 61.8 -11.7 10 33 A W S S+ 0 0 267 -2,-0.1 2,-0.3 31,-0.1 -1,-0.1 -0.420 70.6 114.9 -63.1 137.0 75.3 63.6 -13.5 11 34 A G - 0 0 55 -2,-0.1 30,-0.0 -3,-0.1 -3,-0.0 -0.985 67.5 -36.2 173.8-178.0 72.1 61.8 -12.6 12 35 A N + 0 0 82 -2,-0.3 28,-0.2 1,-0.1 3,-0.0 -0.364 42.9 178.2 -65.4 138.3 68.8 62.1 -10.9 13 36 A T + 0 0 48 26,-0.1 93,-2.8 1,-0.1 2,-0.5 0.322 54.2 83.7-120.5 6.4 68.9 64.0 -7.7 14 37 A K E +c 106 0B 40 91,-0.2 2,-0.2 93,-0.1 93,-0.2 -0.957 50.6 166.5-117.5 126.4 65.2 64.0 -6.5 15 38 A F E -c 107 0B 18 91,-2.8 93,-3.0 -2,-0.5 2,-0.4 -0.804 19.6-140.4-133.5 168.0 63.8 61.0 -4.6 16 39 A A E -c 108 0B 11 -2,-0.2 22,-0.4 91,-0.2 3,-0.2 -0.992 20.1-162.0-143.3 135.9 60.6 60.3 -2.6 17 40 A I S S+ 0 0 8 91,-2.6 17,-2.0 -2,-0.4 2,-0.6 0.877 103.5 36.4 -79.6 -41.6 59.6 58.6 0.5 18 41 A V E S-H 33 0C 4 90,-0.5 2,-0.4 15,-0.2 -1,-0.3 -0.968 92.9-155.5-105.2 113.7 56.0 58.6 -0.7 19 42 A E E -H 32 0C 74 13,-3.1 13,-3.7 -2,-0.6 2,-0.6 -0.774 10.3-149.4 -96.5 141.3 56.2 58.0 -4.5 20 43 A V E -H 31 0C 14 -2,-0.4 2,-0.5 11,-0.2 11,-0.2 -0.927 18.8-134.0-106.0 118.8 53.6 59.1 -7.0 21 44 A D - 0 0 80 9,-2.4 3,-0.4 -2,-0.6 8,-0.0 -0.623 11.5-151.2 -73.8 121.9 53.4 56.8 -10.0 22 45 A Q S S+ 0 0 111 -2,-0.5 2,-0.2 1,-0.3 -1,-0.1 0.573 87.6 48.3 -77.5 -9.1 53.3 59.1 -13.0 23 46 A A S S+ 0 0 91 7,-0.0 2,-0.3 0, 0.0 -1,-0.3 -0.571 91.0 91.8-127.4 67.8 51.4 56.7 -15.3 24 47 A A - 0 0 24 -3,-0.4 3,-0.0 -2,-0.2 0, 0.0 -0.950 42.8-172.7-156.6 142.2 48.5 55.5 -13.1 25 48 A T + 0 0 87 -2,-0.3 2,-0.5 168,-0.1 171,-0.1 0.517 65.4 89.0-112.8 -12.0 44.9 56.7 -12.6 26 49 A A S >> S- 0 0 5 1,-0.1 4,-3.1 169,-0.1 3,-1.8 -0.818 74.8-136.1 -89.9 124.8 43.9 54.4 -9.7 27 50 A Y H 3> S+ 0 0 13 167,-2.5 4,-1.7 -2,-0.5 -1,-0.1 0.857 103.3 59.3 -46.1 -45.2 44.6 55.8 -6.2 28 51 A N H 34 S+ 0 0 69 166,-0.5 -1,-0.3 168,-0.4 169,-0.1 0.802 116.6 32.2 -60.7 -28.5 46.0 52.5 -5.1 29 52 A N H <4 S+ 0 0 104 -3,-1.8 -8,-0.3 1,-0.1 -2,-0.2 0.728 112.5 64.5 -96.3 -25.1 48.7 52.4 -7.8 30 53 A L H < S+ 0 0 0 -4,-3.1 -9,-2.4 164,-0.2 2,-0.6 0.865 102.5 47.5 -62.5 -36.6 49.1 56.2 -7.9 31 54 A V E < -H 20 0C 18 -4,-1.7 2,-0.6 -5,-0.2 -11,-0.2 -0.917 61.7-176.3-119.9 118.9 50.5 56.5 -4.4 32 55 A K E -H 19 0C 124 -13,-3.7 -13,-3.1 -2,-0.6 2,-0.5 -0.940 10.2-159.2-118.9 112.5 53.2 54.3 -3.0 33 56 A V E +H 18 0C 86 -2,-0.6 2,-0.3 -15,-0.2 -15,-0.2 -0.749 16.1 179.4 -88.4 123.1 54.2 54.8 0.7 34 57 A K - 0 0 38 -17,-2.0 3,-0.1 -2,-0.5 -2,-0.0 -0.859 38.8-122.8-119.3 164.0 57.7 53.5 1.6 35 58 A N S S+ 0 0 162 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.746 95.9 0.8 -72.7 -21.1 59.5 53.5 4.9 36 59 A A S S- 0 0 12 -19,-0.2 44,-0.3 -20,-0.1 2,-0.2 -0.982 81.6 -98.2-160.5 152.0 62.4 55.4 3.2 37 60 A A E - B 0 79A 0 42,-2.9 42,-2.1 -2,-0.3 2,-0.8 -0.580 33.8-126.6 -73.7 146.7 63.4 56.9 -0.2 38 61 A D E - B 0 78A 77 -22,-0.4 2,-0.3 -2,-0.2 40,-0.2 -0.846 35.6-172.6 -93.1 111.0 65.7 54.7 -2.4 39 62 A V E - B 0 77A 2 38,-3.5 38,-2.6 -2,-0.8 2,-0.4 -0.799 9.1-169.2-108.0 145.9 68.5 57.1 -3.2 40 63 A S E + B 0 76A 51 -2,-0.3 2,-0.3 36,-0.2 36,-0.2 -0.998 6.0 178.0-136.1 144.0 71.4 56.4 -5.7 41 64 A V E - B 0 75A 9 34,-2.0 34,-3.3 -2,-0.4 2,-0.3 -0.985 5.4-169.8-140.5 140.4 74.6 58.3 -6.3 42 65 A S E - B 0 74A 41 -33,-0.3 -33,-2.4 -2,-0.3 2,-0.3 -0.856 6.8-176.0-128.1 164.8 77.4 57.5 -8.7 43 66 A W E -AB 8 73A 9 30,-2.2 30,-1.9 -2,-0.3 2,-0.3 -0.981 14.7-149.1-155.4 161.8 80.9 59.1 -9.0 44 67 A N E -AB 7 72A 45 -37,-2.4 -37,-2.9 -2,-0.3 2,-0.5 -0.936 12.3-142.7-129.2 154.8 84.1 59.0 -11.1 45 68 A L + 0 0 14 26,-2.1 3,-0.1 -2,-0.3 5,-0.1 -0.973 18.7 176.4-121.3 114.4 87.7 59.7 -10.1 46 69 A W + 0 0 178 -2,-0.5 2,-0.3 -41,-0.4 -1,-0.1 0.684 67.3 26.6 -90.9 -22.0 89.7 61.6 -12.7 47 70 A N S S+ 0 0 131 -42,-0.3 -1,-0.2 2,-0.1 -42,-0.2 -0.996 101.8 2.0-144.4 137.5 93.0 62.0 -10.8 48 71 A G S S- 0 0 70 -2,-0.3 2,-0.3 -44,-0.1 -3,-0.1 -0.443 94.6 -23.1 94.0-167.9 94.8 60.2 -8.0 49 72 A D - 0 0 90 -47,-0.4 -45,-2.4 -2,-0.1 -2,-0.1 -0.675 48.9-137.5 -86.2 140.8 94.3 57.1 -5.9 50 73 A T - 0 0 30 -2,-0.3 42,-0.2 1,-0.2 20,-0.2 0.466 41.1-137.1 -78.7 -1.0 90.6 55.8 -5.5 51 74 A G - 0 0 4 40,-0.2 42,-0.3 1,-0.1 -1,-0.2 -0.099 17.7 -92.7 73.8-172.0 91.1 55.1 -1.8 52 75 A T S S+ 0 0 89 40,-3.0 16,-2.3 1,-0.2 2,-0.4 0.660 102.6 40.3-115.8 -20.4 89.9 52.0 -0.1 53 76 A T E -DE 67 92B 46 39,-2.3 39,-2.8 14,-0.3 2,-0.4 -0.983 63.4-157.1-126.5 140.4 86.5 53.0 1.3 54 77 A A E -DE 66 91B 0 12,-3.5 12,-2.5 -2,-0.4 2,-0.4 -0.943 15.8-173.3-110.3 137.3 83.8 55.2 -0.5 55 78 A K E -DE 65 90B 61 35,-2.6 35,-2.7 -2,-0.4 2,-0.5 -0.989 21.2-143.2-126.7 145.3 81.2 57.0 1.6 56 79 A I E -DE 64 89B 0 8,-2.0 7,-3.1 -2,-0.4 8,-0.9 -0.933 24.1-161.0-100.9 121.2 78.1 59.0 0.8 57 80 A L E -DE 62 88B 29 31,-3.1 31,-2.2 -2,-0.5 2,-0.5 -0.907 11.6-165.2-102.6 137.4 77.7 61.9 3.2 58 81 A L E > S-DE 61 87B 16 3,-2.8 3,-2.2 -2,-0.4 29,-0.2 -0.981 87.0 -20.9-117.8 112.1 74.4 63.8 3.8 59 82 A N T 3 S- 0 0 104 27,-2.2 -1,-0.1 -2,-0.5 28,-0.1 0.863 131.0 -51.7 52.5 36.2 75.2 67.1 5.6 60 83 A G T 3 S+ 0 0 50 26,-0.5 2,-0.4 1,-0.2 -1,-0.3 0.236 116.8 116.1 89.6 -14.6 78.5 65.4 6.7 61 84 A K E < S-D 58 0B 163 -3,-2.2 -3,-2.8 1,-0.1 -1,-0.2 -0.761 70.5-113.5 -99.9 131.6 76.7 62.3 8.0 62 85 A E E +D 57 0B 99 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.367 35.2 169.7 -65.5 130.7 77.4 58.9 6.4 63 86 A A E S+ 0 0 35 -7,-3.1 2,-0.3 1,-0.4 15,-0.3 0.486 73.0 6.7-112.3 -11.2 74.4 57.3 4.7 64 87 A W E -D 56 0B 63 -8,-0.9 -8,-2.0 13,-0.1 -1,-0.4 -0.951 61.1-174.1-167.2 147.8 76.3 54.5 3.0 65 88 A S E +D 55 0B 49 -2,-0.3 -10,-0.2 -10,-0.2 -12,-0.0 -0.986 16.9 147.8-145.8 142.0 79.9 53.1 3.1 66 89 A G E -D 54 0B 13 -12,-2.5 -12,-3.5 -2,-0.3 -2,-0.0 -0.991 50.6 -61.9-159.8-178.3 81.6 50.4 1.0 67 90 A P E -D 53 0B 103 0, 0.0 2,-0.8 0, 0.0 -14,-0.3 -0.307 43.7-133.9 -62.6 139.1 84.9 49.2 -0.5 68 91 A S + 0 0 13 -16,-2.3 -18,-0.1 24,-0.2 5,-0.1 -0.835 37.8 163.4 -95.3 108.3 86.3 51.6 -3.2 69 92 A T - 0 0 130 -2,-0.8 2,-0.3 3,-0.1 -1,-0.1 0.432 50.1 -1.1-114.2 3.6 87.2 49.2 -6.0 70 93 A G S S- 0 0 30 -20,-0.2 -1,-0.1 -19,-0.0 0, 0.0 -0.964 83.3 -75.1-174.8 179.8 87.7 51.3 -9.2 71 94 A S S S+ 0 0 75 -2,-0.3 -26,-2.1 -27,-0.1 2,-0.3 0.610 114.2 40.9 -71.8 -18.4 87.6 54.6 -10.9 72 95 A S E +B 44 0A 76 -28,-0.2 2,-0.3 -66,-0.1 -28,-0.2 -0.982 68.3 174.8-129.6 149.3 83.8 54.7 -10.9 73 96 A G E -B 43 0A 17 -30,-1.9 -30,-2.2 -2,-0.3 2,-0.3 -0.953 17.7-153.5-149.4 162.1 81.3 53.7 -8.3 74 97 A T E -B 42 0A 80 -2,-0.3 2,-0.4 -32,-0.2 -32,-0.2 -0.995 8.1-163.1-134.8 136.7 77.5 53.6 -7.5 75 98 A A E -B 41 0A 1 -34,-3.3 -34,-2.0 -2,-0.3 2,-0.5 -0.990 1.7-169.6-120.3 130.7 75.9 53.6 -4.0 76 99 A N E +B 40 0A 117 -2,-0.4 2,-0.3 -36,-0.2 -36,-0.2 -0.981 26.8 147.4-114.7 124.0 72.2 52.7 -3.5 77 100 A F E -B 39 0A 17 -38,-2.6 -38,-3.5 -2,-0.5 2,-0.4 -0.963 42.3-104.9-151.7 171.8 70.9 53.4 -0.0 78 101 A K E -B 38 0A 140 -2,-0.3 2,-0.4 -15,-0.3 -40,-0.2 -0.817 18.6-167.1-107.7 140.0 67.8 54.5 1.9 79 102 A V E -B 37 0A 10 -42,-2.1 -42,-2.9 -2,-0.4 -16,-0.0 -0.983 1.2-172.7-124.4 121.3 67.0 57.9 3.4 80 103 A N + 0 0 124 -2,-0.4 2,-0.4 -44,-0.3 -1,-0.1 0.349 62.7 65.7-101.8 11.3 64.0 57.9 5.9 81 104 A K S S- 0 0 140 -44,-0.1 -1,-0.1 2,-0.0 28,-0.1 -0.986 78.0-123.9-137.1 129.4 63.7 61.6 6.5 82 105 A G + 0 0 5 -2,-0.4 2,-0.3 24,-0.1 26,-0.2 -0.256 53.9 101.7 -69.5 157.3 62.6 64.3 4.0 83 106 A G E S- F 0 107B 10 24,-2.5 24,-2.7 2,-0.1 2,-0.5 -0.906 72.0 -83.2 155.7 171.4 64.8 67.3 3.3 84 107 A R E - 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