==== 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 22-FEB-00 1EHN . COMPND 2 MOLECULE: CHITINASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: SERRATIA MARCESCENS; . AUTHOR Y.PAPANIKOLAU,G.PRAG,G.TAVLAS,C.E.VORGIAS,A.B.OPPENHEIM,K.PE . 540 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21723.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 367 68.0 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 . 43 8.0 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 . 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 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 0 104 0, 0.0 94,-0.3 0, 0.0 95,-0.2 0.000 360.0 360.0 360.0 151.2 40.2 99.0 15.5 2 25 A A - 0 0 42 93,-0.4 47,-0.3 1,-0.1 95,-0.1 -0.225 360.0 -82.9 -58.5 167.8 39.7 95.3 16.0 3 26 A P - 0 0 5 0, 0.0 47,-0.2 0, 0.0 -1,-0.1 -0.220 50.9 -90.4 -73.4 167.3 40.8 93.1 13.1 4 27 A G - 0 0 17 45,-2.4 87,-0.2 1,-0.1 94,-0.2 -0.228 50.8 -94.2 -65.2 163.9 38.5 92.4 10.1 5 28 A K - 0 0 104 42,-0.2 41,-0.4 -3,-0.1 42,-0.3 -0.734 43.6-134.4 -86.8 119.1 36.2 89.3 10.3 6 29 A P - 0 0 3 0, 0.0 2,-0.5 0, 0.0 95,-0.4 -0.402 5.3-136.6 -72.6 154.7 37.9 86.4 8.6 7 30 A T E -A 44 0A 69 37,-3.0 37,-2.2 93,-0.1 2,-0.2 -0.945 23.3-122.6-110.1 120.2 36.1 84.0 6.2 8 31 A I E -A 43 0A 25 -2,-0.5 35,-0.3 35,-0.2 2,-0.1 -0.544 33.0-117.0 -62.8 136.8 36.9 80.3 6.8 9 32 A A - 0 0 28 33,-2.8 33,-0.3 -2,-0.2 2,-0.1 -0.384 28.9-101.6 -74.3 143.6 38.3 78.8 3.6 10 33 A W S S+ 0 0 262 -2,-0.1 2,-0.3 31,-0.1 -1,-0.1 -0.416 70.1 121.3 -55.9 137.7 36.4 76.1 1.8 11 34 A G - 0 0 54 -2,-0.1 30,-0.0 -3,-0.1 -3,-0.0 -0.975 64.8 -46.3 173.9 170.5 38.0 72.8 2.6 12 35 A N + 0 0 87 -2,-0.3 28,-0.2 1,-0.1 3,-0.0 -0.335 41.3 176.5 -56.6 131.8 37.7 69.3 4.1 13 36 A T + 0 0 49 26,-0.1 93,-3.2 92,-0.0 2,-0.6 0.226 52.2 92.8-120.2 11.1 35.9 69.4 7.4 14 37 A K E +c 106 0B 51 91,-0.2 2,-0.2 93,-0.1 93,-0.2 -0.900 50.3 167.7-115.8 119.1 35.8 65.7 8.1 15 38 A F E -c 107 0B 19 91,-3.7 93,-3.0 -2,-0.6 2,-0.4 -0.767 18.8-146.2-129.5 162.1 38.6 64.2 10.1 16 39 A A E -c 108 0B 18 -2,-0.2 22,-0.4 22,-0.2 93,-0.2 -0.994 18.5-162.7-139.6 138.8 39.3 60.9 11.9 17 40 A I S S+ 0 0 6 91,-2.9 17,-1.9 -2,-0.4 2,-0.7 0.898 100.1 44.2 -81.2 -39.6 41.2 59.7 15.1 18 41 A V E S-H 33 0C 2 90,-0.4 15,-0.3 15,-0.2 -1,-0.3 -0.934 93.0-150.4-105.1 107.3 41.2 56.1 13.7 19 42 A E E -H 32 0C 64 13,-3.4 13,-2.7 -2,-0.7 2,-0.4 -0.616 4.1-150.6 -84.1 146.0 42.2 56.5 10.1 20 43 A V E -H 31 0C 21 -2,-0.2 2,-0.7 11,-0.2 11,-0.2 -0.958 10.7-138.8-117.6 126.3 41.1 54.1 7.4 21 44 A D > - 0 0 77 9,-2.6 3,-0.6 -2,-0.4 8,-0.0 -0.864 9.6-158.3 -87.1 120.1 43.3 53.5 4.4 22 45 A Q T 3 S+ 0 0 105 -2,-0.7 -1,-0.1 1,-0.3 8,-0.1 0.536 87.1 50.7 -78.5 -4.6 40.9 53.3 1.4 23 46 A A T 3 S+ 0 0 92 6,-0.1 2,-0.3 7,-0.0 -1,-0.3 -0.421 89.8 97.8-130.7 57.4 43.5 51.3 -0.8 24 47 A A < + 0 0 16 -3,-0.6 -3,-0.0 1,-0.1 3,-0.0 -0.994 37.3 177.5-142.5 137.1 44.4 48.5 1.6 25 48 A T + 0 0 83 -2,-0.3 2,-0.5 168,-0.1 171,-0.1 0.556 64.7 86.5-113.5 -14.0 43.2 44.9 1.9 26 49 A A S >> S- 0 0 6 1,-0.1 4,-1.9 169,-0.1 3,-1.6 -0.758 77.6-134.6 -87.2 135.6 45.5 43.8 4.7 27 50 A Y H 3> S+ 0 0 14 167,-2.7 4,-1.2 -2,-0.5 168,-0.1 0.839 103.1 60.7 -58.1 -36.0 44.1 44.5 8.2 28 51 A N H 34 S+ 0 0 69 166,-0.5 -1,-0.3 168,-0.4 167,-0.1 0.824 114.8 34.1 -57.7 -34.4 47.5 45.9 9.3 29 52 A N H <4 S+ 0 0 107 -3,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.717 106.2 72.4 -92.5 -23.9 47.4 48.6 6.7 30 53 A L H < S+ 0 0 0 -4,-1.9 -9,-2.6 -10,-0.1 2,-0.4 0.821 100.8 36.4 -64.4 -38.4 43.6 49.1 6.7 31 54 A V E < -H 20 0C 21 -4,-1.2 2,-0.4 -11,-0.2 -11,-0.2 -0.958 57.6-172.6-124.7 140.3 43.3 50.9 10.1 32 55 A K E -H 19 0C 119 -13,-2.7 -13,-3.4 -2,-0.4 2,-0.5 -0.948 11.8-156.5-131.0 108.6 45.6 53.4 11.8 33 56 A V E -H 18 0C 74 -2,-0.4 2,-0.3 -15,-0.3 -15,-0.2 -0.732 17.4-177.7 -81.2 117.5 44.8 54.3 15.4 34 57 A K - 0 0 36 -17,-1.9 3,-0.1 -2,-0.5 -2,-0.0 -0.822 37.1-122.8-108.0 166.1 46.3 57.7 16.3 35 58 A N S S+ 0 0 158 -2,-0.3 2,-0.3 1,-0.2 -17,-0.1 0.709 95.7 7.3 -79.9 -13.7 46.1 59.4 19.7 36 59 A A S S- 0 0 13 -19,-0.2 2,-0.3 -20,-0.1 44,-0.2 -0.984 81.2-101.9-158.8 156.9 44.4 62.4 17.9 37 60 A A E - B 0 79A 0 42,-3.1 42,-2.0 -2,-0.3 2,-0.6 -0.660 31.9-126.2 -82.0 136.6 43.0 63.5 14.6 38 61 A D E - B 0 78A 73 -22,-0.4 2,-0.4 -2,-0.3 -22,-0.2 -0.740 36.7-173.1 -77.3 114.8 45.2 65.7 12.4 39 62 A V E - B 0 77A 3 38,-3.3 38,-2.2 -2,-0.6 2,-0.3 -0.900 10.0-169.1-114.7 148.8 42.9 68.7 11.6 40 63 A S E + B 0 76A 53 -2,-0.4 2,-0.3 36,-0.2 36,-0.2 -0.995 6.2 177.2-133.3 146.3 43.5 71.6 9.2 41 64 A V E - B 0 75A 8 34,-2.0 34,-3.0 -2,-0.3 2,-0.3 -0.989 6.0-168.5-144.1 141.1 41.7 75.0 8.7 42 65 A S E - B 0 74A 40 -2,-0.3 -33,-2.8 -33,-0.3 2,-0.3 -0.836 6.6-171.8-124.6 161.4 42.5 77.9 6.4 43 66 A W E -AB 8 73A 10 30,-2.2 30,-1.8 -35,-0.3 2,-0.3 -0.988 12.5-153.7-149.4 157.2 41.0 81.4 6.2 44 67 A N E -AB 7 72A 45 -37,-2.2 -37,-3.0 -2,-0.3 2,-0.6 -0.989 12.1-144.7-126.2 148.0 41.0 84.6 4.1 45 68 A L + 0 0 11 26,-3.0 3,-0.1 -2,-0.3 5,-0.1 -0.957 17.5 177.6-115.9 114.4 40.4 88.1 5.2 46 69 A W + 0 0 182 -2,-0.6 2,-0.4 -41,-0.4 -1,-0.1 0.704 69.9 33.0 -86.0 -29.8 38.6 90.0 2.5 47 70 A N S S- 0 0 132 -42,-0.3 -1,-0.2 2,-0.1 -42,-0.2 -0.958 101.9 -12.3-132.4 117.9 38.2 93.3 4.4 48 71 A G S S- 0 0 64 -2,-0.4 2,-0.3 -3,-0.1 -3,-0.1 -0.478 89.0 -13.9 117.2-172.8 40.5 94.9 6.9 49 72 A D - 0 0 98 -47,-0.3 -45,-2.4 -2,-0.2 3,-0.1 -0.656 52.2-139.2 -75.6 136.1 43.5 94.7 9.1 50 73 A T - 0 0 25 -2,-0.3 42,-0.2 1,-0.2 20,-0.2 0.303 35.7-131.7 -83.6 5.6 44.5 91.0 9.6 51 74 A G - 0 0 5 40,-0.1 42,-0.3 1,-0.1 -1,-0.2 -0.080 19.5 -96.1 76.0 179.7 45.2 91.5 13.4 52 75 A T S S+ 0 0 91 40,-2.5 16,-2.1 1,-0.3 2,-0.4 0.586 102.5 41.9-115.9 -13.2 48.4 90.2 15.0 53 76 A T E -DE 67 92B 46 39,-2.2 39,-2.8 14,-0.3 2,-0.4 -0.997 63.9-161.1-130.5 137.8 47.3 86.8 16.3 54 77 A A E -DE 66 91B 0 12,-3.6 12,-2.3 -2,-0.4 2,-0.3 -0.904 13.5-174.4-112.7 146.6 45.1 84.2 14.6 55 78 A K E -DE 65 90B 50 35,-2.3 35,-2.5 -2,-0.4 2,-0.5 -0.975 20.9-143.3-137.0 147.5 43.4 81.5 16.6 56 79 A V E -DE 64 89B 0 8,-2.2 7,-3.5 -2,-0.3 8,-1.2 -0.976 24.1-166.0-109.7 125.8 41.3 78.4 15.8 57 80 A L E -DE 62 88B 27 31,-2.7 31,-2.3 -2,-0.5 2,-0.5 -0.928 14.3-160.5-106.6 143.4 38.5 77.8 18.3 58 81 A L E > S-DE 61 87B 19 3,-2.8 3,-2.0 -2,-0.4 29,-0.2 -0.993 87.8 -19.5-119.8 115.8 36.3 74.7 18.8 59 82 A N T 3 S- 0 0 99 27,-3.0 -1,-0.2 -2,-0.5 28,-0.1 0.896 132.2 -50.0 52.4 41.9 33.1 75.6 20.7 60 83 A G T 3 S+ 0 0 52 26,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.309 115.4 114.9 88.9 -15.1 34.9 78.7 21.9 61 84 A K E < S-D 58 0B 167 -3,-2.0 -3,-2.8 1,-0.0 -1,-0.2 -0.812 71.0-112.3-104.5 128.7 38.0 77.0 23.1 62 85 A E E +D 57 0B 100 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.350 37.3 166.9 -58.3 124.0 41.4 77.7 21.5 63 86 A A E S+ 0 0 35 -7,-3.5 2,-0.3 1,-0.4 15,-0.3 0.510 71.7 7.1-104.9 -16.3 42.9 74.7 19.6 64 87 A W E -D 56 0B 60 -8,-1.2 -8,-2.2 13,-0.1 -1,-0.4 -0.961 60.7-178.8-159.4 147.3 45.6 76.6 17.8 65 88 A S E +D 55 0B 44 -2,-0.3 -10,-0.2 -10,-0.2 -12,-0.0 -0.984 12.8 150.2-152.1 148.8 47.1 80.1 17.8 66 89 A G E -D 54 0B 12 -12,-2.3 -12,-3.6 -2,-0.3 2,-0.1 -0.960 51.8 -64.2-165.7 173.4 49.9 81.8 15.8 67 90 A P E -D 53 0B 100 0, 0.0 2,-0.8 0, 0.0 -14,-0.3 -0.388 44.8-129.9 -66.8 143.1 51.0 85.1 14.5 68 91 A S + 0 0 13 -16,-2.1 -18,-0.1 24,-0.1 3,-0.1 -0.882 37.2 167.3 -95.9 106.0 48.6 86.6 11.9 69 92 A T - 0 0 132 -2,-0.8 2,-0.3 3,-0.2 -1,-0.1 0.319 53.2 -13.3-108.8 6.1 51.0 87.5 9.0 70 93 A G S S- 0 0 28 -20,-0.2 -1,-0.1 -19,-0.1 -21,-0.0 -0.977 85.9 -64.9 176.7-173.1 48.8 88.2 6.0 71 94 A S S S+ 0 0 69 -2,-0.3 -26,-3.0 -27,-0.1 2,-0.3 0.510 113.6 36.9 -76.9 -13.6 45.4 88.0 4.5 72 95 A S E +B 44 0A 73 -28,-0.2 2,-0.3 -66,-0.1 -28,-0.2 -0.972 66.8 167.7-130.0 158.5 45.3 84.2 4.3 73 96 A G E -B 43 0A 20 -30,-1.8 -30,-2.2 -2,-0.3 2,-0.3 -0.961 20.9-144.4-159.6 167.4 46.6 81.6 6.7 74 97 A T E -B 42 0A 79 -2,-0.3 2,-0.4 -32,-0.2 -32,-0.2 -0.987 9.6-163.1-137.6 142.2 46.5 77.9 7.5 75 98 A A E -B 41 0A 1 -34,-3.0 -34,-2.0 -2,-0.3 2,-0.4 -0.994 1.8-167.7-127.0 138.2 46.5 76.1 10.9 76 99 A N E +B 40 0A 113 -2,-0.4 2,-0.3 -36,-0.2 -36,-0.2 -0.992 25.9 145.2-124.8 130.8 47.3 72.4 11.6 77 100 A F E -B 39 0A 17 -38,-2.2 -38,-3.3 -2,-0.4 2,-0.3 -0.903 42.1-102.8-156.4 171.6 46.5 71.0 15.0 78 101 A K E -B 38 0A 132 -15,-0.3 2,-0.4 -2,-0.3 -40,-0.2 -0.843 17.1-163.1-111.4 143.7 45.3 67.8 16.7 79 102 A V E -B 37 0A 10 -42,-2.0 -42,-3.1 -2,-0.3 -16,-0.0 -0.996 3.1-172.1-124.7 124.2 41.9 67.0 18.2 80 103 A N + 0 0 129 -2,-0.4 2,-0.4 -44,-0.2 -1,-0.1 0.405 62.6 66.2-107.9 8.5 41.9 64.1 20.6 81 104 A K S S- 0 0 140 -44,-0.1 26,-0.1 2,-0.0 -1,-0.1 -0.972 76.3-128.1-129.1 134.8 38.1 63.6 21.1 82 105 A G + 0 0 5 -2,-0.4 2,-0.3 24,-0.1 26,-0.2 -0.316 58.5 82.5 -72.1 154.0 35.6 62.5 18.6 83 106 A G E S- F 0 107B 10 24,-2.7 24,-2.9 2,-0.0 2,-0.4 -0.927 78.9 -61.9 147.4-168.0 32.4 64.5 18.0 84 107 A R E - 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