==== 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 29-JUN-09 2WLY . COMPND 2 MOLECULE: CHITINASE A; . SOURCE 2 SYNTHETIC: YES; . 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) . 21667.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 364 67.5 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 . 41 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 11.5 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 . 7 1.3 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 0 110 0, 0.0 94,-0.3 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0 138.4 98.7 60.5 0.3 2 25 A A - 0 0 43 93,-0.3 47,-0.4 1,-0.1 95,-0.1 -0.274 360.0 -79.4 -60.3 156.3 95.0 60.9 1.1 3 26 A P - 0 0 5 0, 0.0 47,-0.2 0, 0.0 -1,-0.1 -0.161 55.1 -96.4 -58.6 158.6 92.6 59.7 -1.7 4 27 A G - 0 0 12 45,-2.6 87,-0.2 1,-0.1 94,-0.2 -0.223 49.1 -87.0 -69.2 168.5 92.0 62.2 -4.7 5 28 A K - 0 0 102 42,-0.4 41,-0.5 85,-0.1 42,-0.3 -0.686 47.2-136.5 -85.3 116.0 88.9 64.5 -4.7 6 29 A P - 0 0 3 0, 0.0 2,-0.5 0, 0.0 95,-0.4 -0.325 5.7-135.4 -78.0 161.6 86.0 62.6 -6.2 7 30 A T E -A 44 0A 67 37,-3.0 37,-2.4 93,-0.1 2,-0.2 -0.966 19.6-125.0-114.8 124.4 83.6 64.2 -8.7 8 31 A I E -A 43 0A 27 -2,-0.5 35,-0.3 35,-0.2 2,-0.2 -0.527 30.9-120.9 -71.4 132.8 79.8 63.6 -8.2 9 32 A A - 0 0 30 33,-2.6 33,-0.4 -2,-0.2 2,-0.1 -0.535 26.6-104.1 -72.4 136.6 78.3 62.1 -11.4 10 33 A W + 0 0 268 -2,-0.2 2,-0.3 31,-0.1 -1,-0.1 -0.375 69.7 120.1 -48.7 132.6 75.5 64.0 -13.2 11 34 A G - 0 0 53 -2,-0.1 2,-0.1 -3,-0.1 30,-0.0 -0.974 67.1 -43.6 179.2 175.9 72.2 62.2 -12.4 12 35 A N - 0 0 87 -2,-0.3 28,-0.2 1,-0.1 3,-0.0 -0.376 42.2-179.1 -56.4 132.2 68.8 62.6 -10.8 13 36 A T + 0 0 49 -2,-0.1 93,-2.8 1,-0.1 2,-0.5 0.278 55.0 84.8-116.0 12.4 69.0 64.4 -7.5 14 37 A K E +c 106 0B 46 91,-0.2 2,-0.3 93,-0.1 93,-0.2 -0.958 50.1 167.6-126.1 115.9 65.3 64.4 -6.5 15 38 A F E -c 107 0B 23 91,-3.5 93,-3.3 -2,-0.5 2,-0.4 -0.801 19.6-140.5-126.6 168.9 63.7 61.4 -4.7 16 39 A A E -c 108 0B 8 -2,-0.3 22,-0.4 91,-0.2 93,-0.2 -0.984 17.7-161.5-137.9 135.5 60.4 60.8 -2.9 17 40 A I S S+ 0 0 9 91,-2.8 17,-2.3 -2,-0.4 2,-0.6 0.826 101.0 38.8 -77.2 -39.1 59.3 59.0 0.3 18 41 A V E S-H 33 0C 2 90,-0.4 2,-0.4 15,-0.2 -1,-0.3 -0.976 91.2-153.5-108.1 117.4 55.8 58.9 -1.0 19 42 A E E -H 32 0C 72 13,-3.3 13,-3.4 -2,-0.6 2,-0.5 -0.748 9.3-152.3 -93.9 141.8 55.9 58.3 -4.7 20 43 A V E -H 31 0C 18 -2,-0.4 2,-0.5 11,-0.2 11,-0.2 -0.953 18.1-135.6-109.5 124.6 53.3 59.4 -7.3 21 44 A D - 0 0 78 9,-2.3 3,-0.5 -2,-0.5 8,-0.0 -0.680 10.3-152.6 -81.6 118.5 53.1 57.1 -10.4 22 45 A Q S S+ 0 0 110 -2,-0.5 2,-0.2 1,-0.3 -1,-0.2 0.590 87.5 50.6 -74.0 -12.1 53.0 59.5 -13.3 23 46 A A S S+ 0 0 92 6,-0.1 2,-0.3 7,-0.0 -1,-0.3 -0.537 90.2 90.2-122.2 67.6 51.1 57.0 -15.5 24 47 A A - 0 0 23 -3,-0.5 3,-0.0 -2,-0.2 -3,-0.0 -0.983 41.8-173.0-155.3 142.7 48.1 55.8 -13.4 25 48 A T + 0 0 86 -2,-0.3 2,-0.5 168,-0.1 171,-0.1 0.588 66.0 89.0-112.0 -17.1 44.5 57.0 -12.8 26 49 A A S >> S- 0 0 6 1,-0.1 4,-2.4 169,-0.1 3,-1.9 -0.751 75.9-135.9 -80.4 126.8 43.5 54.6 -10.0 27 50 A Y H 3> S+ 0 0 11 167,-2.8 4,-1.5 -2,-0.5 -1,-0.1 0.859 104.0 60.1 -53.5 -39.3 44.3 56.1 -6.5 28 51 A N H 34 S+ 0 0 70 166,-0.5 -1,-0.3 168,-0.3 167,-0.1 0.818 115.1 32.9 -57.1 -31.1 45.7 52.7 -5.4 29 52 A N H <4 S+ 0 0 107 -3,-1.9 -8,-0.2 1,-0.1 -2,-0.2 0.726 110.8 67.8 -92.4 -24.0 48.4 52.8 -8.2 30 53 A L H < S+ 0 0 0 -4,-2.4 -9,-2.3 164,-0.2 2,-0.5 0.845 101.5 43.1 -62.7 -37.5 48.8 56.5 -8.1 31 54 A V E < -H 20 0C 19 -4,-1.5 2,-0.5 -11,-0.2 -11,-0.2 -0.924 58.3-175.2-125.5 123.0 50.3 56.7 -4.7 32 55 A K E -H 19 0C 130 -13,-3.4 -13,-3.3 -2,-0.5 2,-0.5 -0.962 11.2-159.0-120.0 115.7 53.0 54.5 -3.2 33 56 A V E -H 18 0C 84 -2,-0.5 2,-0.3 -15,-0.2 -15,-0.2 -0.769 15.3-174.0 -87.0 120.1 53.9 55.2 0.4 34 57 A K - 0 0 38 -17,-2.3 3,-0.1 -2,-0.5 -2,-0.0 -0.823 36.8-124.2-111.9 160.6 57.4 53.9 1.4 35 58 A N S S- 0 0 169 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.811 96.0 -3.3 -58.9 -34.9 59.2 53.7 4.7 36 59 A A S S- 0 0 10 -19,-0.2 44,-0.2 -20,-0.1 2,-0.2 -0.984 80.4 -93.9-154.8 159.3 62.0 55.7 3.1 37 60 A A E - B 0 79A 0 42,-2.8 42,-1.8 -2,-0.3 2,-0.8 -0.537 33.8-129.9 -75.6 136.7 63.2 57.2 -0.2 38 61 A D E - B 0 78A 77 -22,-0.4 2,-0.3 -2,-0.2 40,-0.2 -0.831 34.5-168.3 -83.7 108.8 65.5 55.0 -2.4 39 62 A V E - B 0 77A 1 38,-3.4 38,-2.0 -2,-0.8 2,-0.4 -0.769 9.8-162.9-104.3 151.4 68.4 57.4 -3.2 40 63 A S E + B 0 76A 55 -2,-0.3 2,-0.3 36,-0.2 36,-0.2 -0.995 9.8 174.1-130.5 133.2 71.3 56.9 -5.7 41 64 A V E - B 0 75A 7 34,-2.0 34,-2.7 -2,-0.4 2,-0.3 -0.983 5.1-173.8-131.6 147.0 74.6 58.7 -6.1 42 65 A S E - B 0 74A 39 -33,-0.4 -33,-2.6 -2,-0.3 2,-0.3 -0.889 6.1-175.6-130.9 160.4 77.5 58.0 -8.5 43 66 A W E -AB 8 73A 9 30,-1.8 30,-1.5 -2,-0.3 2,-0.3 -0.978 15.5-149.7-149.6 169.5 81.0 59.4 -8.8 44 67 A N E -AB 7 72A 44 -37,-2.4 -37,-3.0 -2,-0.3 2,-0.5 -0.944 11.5-145.8-131.1 151.1 84.2 59.4 -10.7 45 68 A L + 0 0 11 26,-2.4 3,-0.1 -2,-0.3 5,-0.1 -0.988 19.3 173.0-120.6 124.0 87.7 60.0 -9.6 46 69 A W + 0 0 178 -2,-0.5 2,-0.4 -41,-0.5 -1,-0.1 0.645 65.5 37.0-100.8 -24.5 89.8 61.9 -12.2 47 70 A N S S- 0 0 130 -42,-0.3 -42,-0.4 2,-0.1 -1,-0.2 -0.870 102.1 -10.8-141.9 117.0 93.0 62.5 -10.2 48 71 A G S S- 0 0 69 -2,-0.4 2,-0.3 -44,-0.2 -3,-0.0 -0.673 94.9 -17.7 110.9-160.6 94.9 60.4 -7.6 49 72 A D - 0 0 93 -47,-0.4 -45,-2.6 -2,-0.2 -2,-0.1 -0.613 50.4-138.7 -87.0 139.6 94.3 57.3 -5.5 50 73 A T - 0 0 28 -2,-0.3 42,-0.2 -47,-0.2 20,-0.2 0.420 39.1-137.2 -81.6 5.2 90.7 56.1 -5.2 51 74 A G - 0 0 5 40,-0.1 42,-0.2 1,-0.1 -1,-0.2 -0.014 17.6 -92.6 67.6-174.1 91.1 55.2 -1.5 52 75 A T S S+ 0 0 90 40,-2.6 16,-2.1 1,-0.3 2,-0.4 0.690 101.5 40.4-116.2 -20.8 89.7 52.2 0.2 53 76 A T E -DE 67 92B 44 39,-2.2 39,-3.4 14,-0.3 2,-0.4 -0.990 62.2-159.3-128.5 138.8 86.3 53.3 1.5 54 77 A A E -DE 66 91B 0 12,-3.2 12,-1.9 -2,-0.4 2,-0.3 -0.934 14.3-174.8-110.9 141.1 83.7 55.4 -0.2 55 78 A K E -DE 65 90B 52 35,-2.6 35,-2.6 -2,-0.4 2,-0.5 -0.981 21.6-141.8-134.7 146.0 81.0 57.2 1.8 56 79 A I E -DE 64 89B 0 8,-1.6 7,-3.0 -2,-0.3 8,-1.2 -0.940 24.1-161.3-102.5 125.9 78.0 59.3 1.0 57 80 A L E -DE 62 88B 29 31,-3.0 31,-2.5 -2,-0.5 2,-0.5 -0.906 11.9-163.2-104.5 140.1 77.6 62.2 3.4 58 81 A L E > S-DE 61 87B 16 3,-3.0 3,-2.1 -2,-0.4 29,-0.2 -0.984 88.2 -20.6-117.5 115.2 74.3 64.2 4.0 59 82 A N T 3 S- 0 0 104 27,-2.7 28,-0.1 -2,-0.5 -1,-0.1 0.892 131.4 -50.5 46.4 41.7 75.1 67.4 5.8 60 83 A G T 3 S+ 0 0 50 26,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.229 117.1 114.1 89.3 -12.3 78.4 65.7 6.9 61 84 A K E < S-D 58 0B 162 -3,-2.1 -3,-3.0 1,-0.0 -1,-0.2 -0.802 70.2-117.4-104.2 132.2 76.7 62.6 8.2 62 85 A E E +D 57 0B 91 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.362 34.1 169.0 -66.8 132.2 77.2 59.3 6.6 63 86 A A E S+ 0 0 38 -7,-3.0 2,-0.3 1,-0.3 15,-0.3 0.454 71.9 17.2-115.8 -9.3 74.2 57.6 5.0 64 87 A W E -D 56 0B 59 -8,-1.2 -8,-1.6 13,-0.1 -1,-0.3 -0.987 58.9-177.4-160.2 152.9 76.2 54.9 3.2 65 88 A S E +D 55 0B 52 -2,-0.3 -10,-0.2 -10,-0.2 -12,-0.0 -0.993 14.6 147.2-154.5 147.4 79.6 53.3 3.2 66 89 A G E -D 54 0B 13 -12,-1.9 -12,-3.2 -2,-0.3 -2,-0.0 -0.977 52.4 -66.6-174.4 164.7 81.3 50.6 1.2 67 90 A P E -D 53 0B 103 0, 0.0 2,-0.8 0, 0.0 -14,-0.3 -0.375 45.1-131.6 -60.2 130.9 84.7 49.4 -0.3 68 91 A S + 0 0 14 -16,-2.1 5,-0.1 24,-0.2 -18,-0.1 -0.864 37.9 167.0 -87.9 109.3 86.0 51.9 -2.9 69 92 A T - 0 0 130 -2,-0.8 2,-0.3 3,-0.1 -1,-0.1 0.399 49.7 -1.8-113.6 3.6 86.9 49.4 -5.8 70 93 A G S S- 0 0 27 -20,-0.2 -1,-0.0 -19,-0.0 3,-0.0 -0.961 83.5 -73.7-171.6-177.3 87.5 51.6 -8.9 71 94 A S S S+ 0 0 76 -2,-0.3 -26,-2.4 -27,-0.1 2,-0.3 0.627 116.9 38.4 -71.2 -19.1 87.6 55.0 -10.6 72 95 A S E S+B 44 0A 71 -28,-0.2 2,-0.3 2,-0.0 -28,-0.2 -0.984 70.0 175.7-129.5 149.3 83.8 55.0 -10.6 73 96 A G E -B 43 0A 17 -30,-1.5 -30,-1.8 -2,-0.3 2,-0.4 -0.943 17.2-150.0-143.9 166.2 81.3 53.9 -7.9 74 97 A T E -B 42 0A 81 -2,-0.3 2,-0.4 -32,-0.2 -32,-0.2 -0.995 7.7-164.8-138.5 135.1 77.6 53.8 -7.2 75 98 A A E -B 41 0A 0 -34,-2.7 -34,-2.0 -2,-0.4 2,-0.4 -0.981 0.9-169.3-118.0 131.5 75.9 53.9 -3.8 76 99 A N E +B 40 0A 111 -2,-0.4 2,-0.3 -36,-0.2 -36,-0.2 -0.993 25.9 151.3-116.4 127.9 72.1 53.0 -3.3 77 100 A F E -B 39 0A 15 -38,-2.0 -38,-3.4 -2,-0.4 2,-0.3 -0.939 40.6-106.6-151.0 169.9 70.8 53.8 0.2 78 101 A K E -B 38 0A 143 -2,-0.3 2,-0.4 -15,-0.3 -40,-0.2 -0.771 20.1-170.2-105.5 138.8 67.6 54.8 2.1 79 102 A V E -B 37 0A 11 -42,-1.8 -42,-2.8 -2,-0.3 -16,-0.0 -0.979 0.5-173.4-127.3 124.8 66.7 58.2 3.5 80 103 A N + 0 0 125 -2,-0.4 2,-0.4 -44,-0.2 -1,-0.0 0.170 60.9 65.0-105.9 18.7 63.7 58.4 5.8 81 104 A K S S- 0 0 135 -44,-0.1 2,-0.1 2,-0.0 26,-0.0 -0.997 77.4-121.6-144.5 136.1 63.2 62.1 6.4 82 105 A G + 0 0 8 -2,-0.4 2,-0.3 24,-0.1 26,-0.2 -0.372 55.4 82.8 -80.7 153.2 62.3 64.8 4.0 83 106 A G E S- F 0 107B 10 24,-2.4 24,-2.9 -2,-0.1 2,-0.5 -0.951 75.6 -63.9 153.8-168.7 64.3 67.9 3.1 84 107 A R E - 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