==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-AUG-00 1E6R . COMPND 2 MOLECULE: CHITINASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: SERRATIA MARCESCENS; . AUTHOR D.KOMANDER,B.SYNSTAD,V.G.H.EIJSINK,D.M.F.VAN AALTEN . 993 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36870.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 644 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 103 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 69 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 228 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.4 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 4 7 1 4 0 3 1 3 0 3 0 0 0 0 2 0 0 1 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 2 4 8 2 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 . 7 2 2 6 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 4 0 0 0 2 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 3 A T 0 0 179 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.6 29.8 64.7 114.4 2 4 A R - 0 0 91 1,-0.1 2,-0.2 395,-0.0 419,-0.1 -0.198 360.0-117.9 -54.7 133.5 28.7 61.3 115.4 3 5 A K - 0 0 44 1,-0.1 394,-0.3 414,-0.1 2,-0.3 -0.464 32.4-111.9 -70.9 140.4 28.8 58.6 112.8 4 6 A A E -a 397 0A 2 392,-2.6 394,-3.1 -2,-0.2 2,-0.6 -0.562 24.0-163.7 -77.4 136.0 25.5 57.0 111.9 5 7 A V E -a 398 0A 0 -2,-0.3 38,-2.6 392,-0.2 39,-2.0 -0.888 13.8-174.5-120.4 96.2 25.0 53.4 113.0 6 8 A I E -ab 399 44A 1 392,-2.9 394,-2.3 -2,-0.6 2,-0.7 -0.815 3.7-172.7 -98.4 104.6 21.9 52.3 111.0 7 9 A G E -ab 400 45A 0 37,-2.8 39,-1.6 -2,-0.8 2,-0.2 -0.846 13.5-147.5-102.7 114.1 20.7 48.9 111.8 8 10 A Y E -ab 401 46A 5 392,-2.3 395,-3.1 -2,-0.7 394,-0.5 -0.507 11.4-154.4 -71.9 146.5 18.0 47.5 109.6 9 11 A Y E - b 0 47A 3 37,-3.7 39,-3.2 393,-0.2 2,-0.5 -0.927 9.0-168.5-129.0 105.6 15.6 45.2 111.5 10 12 A F E + b 0 48A 69 -2,-0.5 39,-0.2 37,-0.2 394,-0.1 -0.837 12.8 168.1-101.1 125.8 13.8 42.6 109.5 11 13 A I - 0 0 5 37,-1.7 5,-0.1 -2,-0.5 -2,-0.0 -0.952 31.4-129.6-136.2 111.5 11.0 40.6 111.0 12 14 A P >> - 0 0 39 0, 0.0 4,-1.9 0, 0.0 3,-0.6 -0.207 24.8-109.9 -59.4 150.4 8.9 38.5 108.6 13 15 A T H 3> S+ 0 0 31 1,-0.3 4,-2.9 2,-0.2 52,-0.3 0.832 120.3 57.8 -49.3 -36.8 5.1 38.7 108.6 14 16 A N H 3> S+ 0 0 63 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.928 107.7 46.0 -61.0 -46.3 5.0 35.2 110.1 15 17 A Q H <4 S+ 0 0 33 -3,-0.6 -1,-0.2 2,-0.2 -2,-0.2 0.773 113.4 48.8 -68.8 -28.5 7.1 36.3 113.0 16 18 A I H >< S+ 0 0 4 -4,-1.9 3,-1.8 2,-0.2 -2,-0.2 0.939 109.4 51.7 -76.1 -45.4 5.1 39.4 113.6 17 19 A N H 3< S+ 0 0 46 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.657 122.3 33.0 -64.6 -14.4 1.8 37.5 113.5 18 20 A N T 3< S+ 0 0 99 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.142 88.2 169.7-123.9 17.5 3.3 35.1 116.1 19 21 A Y < + 0 0 14 -3,-1.8 2,-0.3 -5,-0.1 -3,-0.1 0.050 4.1 155.6 -39.2 126.4 5.4 37.7 118.0 20 22 A T - 0 0 31 -5,-0.2 3,-0.4 3,-0.1 7,-0.1 -0.968 36.9-156.3-153.7 139.4 6.8 36.4 121.2 21 23 A E S S+ 0 0 55 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 0.305 91.3 59.6 -99.9 10.9 9.9 37.4 123.2 22 24 A T S S+ 0 0 131 1,-0.2 2,-0.2 2,-0.0 -1,-0.2 0.196 92.6 61.2-124.7 18.5 10.1 34.0 124.8 23 25 A D >> - 0 0 71 -3,-0.4 3,-2.8 4,-0.3 4,-2.4 -0.672 48.8-173.0-149.3 90.6 10.6 31.5 122.0 24 26 A T T 34 S+ 0 0 89 1,-0.3 -1,-0.1 -2,-0.2 5,-0.0 0.665 87.5 66.8 -56.3 -16.6 13.6 31.7 119.7 25 27 A S T 34 S+ 0 0 69 2,-0.2 -1,-0.3 1,-0.1 -2,-0.0 0.661 114.5 27.6 -79.3 -15.9 12.1 28.9 117.7 26 28 A V T <4 S+ 0 0 44 -3,-2.8 -2,-0.2 1,-0.3 -1,-0.1 0.778 141.0 17.6-108.0 -53.3 9.2 31.3 116.6 27 29 A V < - 0 0 1 -4,-2.4 -1,-0.3 1,-0.1 -4,-0.3 -0.928 69.8-172.4-123.6 100.5 10.9 34.7 116.9 28 30 A P S S+ 0 0 22 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.863 82.5 25.6 -59.8 -40.9 14.7 34.1 116.8 29 31 A F S S- 0 0 10 -5,-0.0 375,-0.1 3,-0.0 -8,-0.1 -0.698 79.4-178.7-130.4 80.0 15.5 37.7 117.6 30 32 A P > - 0 0 5 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.265 45.5 -99.2 -73.6 167.3 12.6 39.5 119.4 31 33 A V G > S+ 0 0 5 1,-0.3 3,-2.3 2,-0.2 -10,-0.0 0.811 116.6 74.0 -56.5 -30.5 12.9 43.2 120.3 32 34 A S G 3 S+ 0 0 60 1,-0.3 -1,-0.3 3,-0.0 -11,-0.0 0.672 81.5 73.3 -59.2 -14.3 13.9 42.4 123.9 33 35 A N G < S+ 0 0 23 -3,-2.2 2,-1.5 1,-0.2 -1,-0.3 0.772 79.9 78.2 -69.1 -27.4 17.3 41.4 122.4 34 36 A I S < S- 0 0 5 -3,-2.3 -1,-0.2 -4,-0.3 -3,-0.0 -0.682 75.6-169.6 -86.3 89.6 18.0 45.1 122.0 35 37 A T > - 0 0 60 -2,-1.5 4,-2.6 1,-0.1 3,-0.3 -0.229 39.9 -94.3 -73.6 167.4 18.9 46.0 125.5 36 38 A P H > S+ 0 0 61 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.892 127.6 51.8 -49.2 -44.2 19.4 49.6 126.7 37 39 A A H > S+ 0 0 59 1,-0.2 4,-0.6 2,-0.2 -3,-0.1 0.883 110.7 47.3 -61.7 -40.9 23.1 49.4 126.0 38 40 A K H >4 S+ 0 0 25 -3,-0.3 3,-1.0 1,-0.2 4,-0.5 0.876 106.9 57.3 -69.2 -36.2 22.6 48.1 122.5 39 41 A A H >< S+ 0 0 0 -4,-2.6 3,-0.9 1,-0.3 -1,-0.2 0.853 103.4 54.8 -62.7 -32.4 20.0 50.8 121.9 40 42 A K H 3< S+ 0 0 119 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.675 99.9 60.3 -75.1 -16.3 22.7 53.3 122.7 41 43 A Q T << S+ 0 0 35 -3,-1.0 2,-0.3 -4,-0.6 -1,-0.2 0.571 99.5 72.5 -86.3 -8.7 25.1 51.8 120.1 42 44 A L < - 0 0 0 -3,-0.9 -36,-0.2 -4,-0.5 43,-0.2 -0.719 49.4-175.9-107.3 155.3 22.5 52.6 117.4 43 45 A T S S+ 0 0 10 -38,-2.6 44,-1.6 1,-0.4 2,-0.3 0.565 82.1 16.8-113.9 -26.8 21.5 55.9 115.8 44 46 A H E -bc 6 87A 4 -39,-2.0 -37,-2.8 42,-0.2 -1,-0.4 -0.997 53.7-165.0-146.6 148.5 18.8 54.3 113.6 45 47 A I E -bc 7 88A 0 42,-2.1 44,-1.3 -2,-0.3 2,-0.8 -0.959 18.1-155.2-132.3 108.1 16.8 51.0 113.5 46 48 A N E -bc 8 89A 0 -39,-1.6 -37,-3.7 -2,-0.4 2,-0.4 -0.794 10.4-142.2 -92.0 110.1 15.1 50.6 110.2 47 49 A F E -bc 9 90A 1 42,-3.8 44,-3.4 -2,-0.8 2,-0.4 -0.556 31.0-119.7 -70.6 124.8 12.1 48.4 110.5 48 50 A S E +bc 10 91A 0 -39,-3.2 -37,-1.7 -2,-0.4 44,-0.1 -0.954 61.6 11.9-125.0 141.9 11.8 46.2 107.4 49 51 A F E + 0 0 32 42,-0.6 12,-0.4 -2,-0.4 2,-0.3 0.600 45.3 153.1-129.6 152.8 9.8 45.8 105.3 50 52 A L E - c 0 92A 0 41,-2.8 43,-2.7 -3,-0.2 10,-0.2 -0.803 31.6-152.4-111.3 159.8 6.7 47.7 104.4 51 53 A D E -I 59 0B 11 8,-2.7 8,-2.5 -2,-0.3 2,-0.5 -0.509 19.1-107.5-123.5-172.4 5.5 47.6 100.8 52 54 A I E -I 58 0B 3 6,-0.2 6,-0.2 -2,-0.2 55,-0.2 -0.973 40.9-152.0-121.8 111.3 3.5 49.6 98.2 53 55 A N > - 0 0 38 4,-2.2 3,-1.7 -2,-0.5 4,-0.1 -0.057 33.3 -90.5 -76.7-179.2 0.1 48.1 97.6 54 56 A S T 3 S+ 0 0 94 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.662 125.3 66.7 -65.5 -19.5 -2.2 48.1 94.6 55 57 A N T 3 S- 0 0 98 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.332 116.8-120.9 -81.6 9.0 -3.8 51.3 95.9 56 58 A L S < S+ 0 0 43 -3,-1.7 2,-0.3 1,-0.2 -2,-0.2 0.819 74.2 120.7 54.2 37.2 -0.3 52.6 95.1 57 59 A E S S- 0 0 43 -4,-0.1 -4,-2.2 67,-0.1 -1,-0.2 -0.864 73.9 -94.9-124.9 158.7 0.2 53.6 98.8 58 60 A C E +I 52 0B 4 63,-0.4 2,-0.3 -2,-0.3 -6,-0.2 -0.505 60.7 151.4 -70.0 141.8 2.7 52.7 101.4 59 61 A A E -I 51 0B 20 -8,-2.5 -8,-2.7 -2,-0.2 66,-0.0 -0.963 45.8 -94.5-171.2 154.2 1.3 49.8 103.6 60 62 A W - 0 0 29 -2,-0.3 -10,-0.1 -10,-0.2 4,-0.1 -0.303 65.0 -74.8 -68.2 154.9 2.0 46.8 105.7 61 63 A D > - 0 0 37 -12,-0.4 3,-2.1 1,-0.1 -1,-0.2 -0.296 48.4-124.3 -49.6 128.3 2.0 43.3 104.2 62 64 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.818 109.0 58.5 -46.7 -41.6 -1.8 42.6 103.7 63 65 A A T 3 S+ 0 0 72 2,-0.1 2,-0.3 0, 0.0 -2,-0.1 0.295 85.0 122.0 -76.1 11.3 -1.6 39.4 105.7 64 66 A T < - 0 0 24 -3,-2.1 2,-1.1 -4,-0.1 3,-0.1 -0.584 67.3-129.7 -85.3 137.8 -0.3 41.4 108.7 65 67 A N > - 0 0 71 -2,-0.3 4,-2.6 -52,-0.3 3,-0.5 -0.722 21.1-157.7 -80.4 99.3 -1.9 41.4 112.1 66 68 A D H > S+ 0 0 66 -2,-1.1 4,-2.8 1,-0.2 5,-0.2 0.861 88.9 52.6 -47.4 -45.7 -2.1 45.2 112.6 67 69 A A H > S+ 0 0 69 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.895 111.7 45.0 -58.8 -45.8 -2.3 44.9 116.4 68 70 A K H > S+ 0 0 70 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.895 112.2 53.8 -65.1 -41.8 0.7 42.7 116.6 69 71 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.943 108.2 48.1 -58.4 -51.1 2.6 45.0 114.2 70 72 A R H X S+ 0 0 76 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.808 109.8 53.2 -62.8 -29.6 1.9 48.1 116.4 71 73 A D H X S+ 0 0 65 -4,-1.4 4,-1.8 -5,-0.2 -1,-0.2 0.888 109.8 48.0 -72.7 -37.3 3.1 46.2 119.5 72 74 A V H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.891 114.3 45.6 -68.3 -40.7 6.3 45.3 117.8 73 75 A V H X S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.915 110.4 54.2 -69.5 -40.7 6.9 48.8 116.6 74 76 A N H X S+ 0 0 82 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.875 105.2 53.5 -60.3 -38.8 6.0 50.2 120.0 75 77 A R H X S+ 0 0 86 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.945 111.6 47.2 -60.7 -45.0 8.5 48.0 121.7 76 78 A L H >< S+ 0 0 0 -4,-1.7 3,-0.9 1,-0.2 4,-0.3 0.941 112.8 45.5 -61.0 -51.9 11.1 49.5 119.2 77 79 A T H >< S+ 0 0 30 -4,-3.2 3,-1.4 1,-0.3 -1,-0.2 0.760 104.3 64.7 -65.4 -23.7 10.1 53.1 119.8 78 80 A A H >< S+ 0 0 56 -4,-1.9 3,-2.4 -5,-0.3 -1,-0.3 0.867 87.9 71.3 -64.0 -34.1 10.1 52.4 123.5 79 81 A L G X< S+ 0 0 17 -4,-1.1 3,-1.7 -3,-0.9 -1,-0.3 0.730 79.6 76.6 -54.9 -21.3 13.8 51.8 123.0 80 82 A K G X S+ 0 0 54 -3,-1.4 3,-1.5 -4,-0.3 -1,-0.3 0.730 74.5 75.4 -65.3 -20.9 14.1 55.6 122.5 81 83 A A G < S+ 0 0 88 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.701 99.8 46.2 -63.4 -15.6 13.9 56.1 126.3 82 84 A H G < S+ 0 0 81 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.446 121.9 32.7-104.9 -3.7 17.4 54.9 126.4 83 85 A N X - 0 0 11 -3,-1.5 3,-1.4 -4,-0.2 -1,-0.3 -0.722 58.6-166.7-158.9 99.2 18.8 56.9 123.5 84 86 A P T 3 S+ 0 0 113 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.385 93.8 52.4 -68.0 2.6 17.5 60.4 122.7 85 87 A S T 3 S+ 0 0 57 -43,-0.2 2,-0.1 -5,-0.1 -5,-0.1 0.508 84.0 113.6-112.1 -13.1 19.3 60.3 119.3 86 88 A L < - 0 0 1 -3,-1.4 2,-0.4 -6,-0.2 -42,-0.2 -0.347 47.7-165.2 -65.0 136.2 17.8 57.0 118.3 87 89 A R E -c 44 0A 25 -44,-1.6 -42,-2.1 -2,-0.1 2,-1.0 -0.990 13.0-149.8-123.0 130.7 15.3 57.0 115.4 88 90 A I E +c 45 0A 0 -2,-0.4 47,-2.8 -44,-0.2 48,-0.5 -0.835 28.1 179.1 -99.8 99.2 13.0 54.1 114.5 89 91 A M E -cd 46 136A 0 -44,-1.3 -42,-3.8 -2,-1.0 2,-0.4 -0.517 19.5-140.4 -93.2 165.3 12.7 54.3 110.8 90 92 A F E -cd 47 137A 0 46,-1.6 48,-2.3 -44,-0.3 2,-0.5 -0.967 13.0-140.1-125.0 144.8 10.6 52.0 108.6 91 93 A S E -cd 48 138A 0 -44,-3.4 -41,-2.8 -2,-0.4 2,-0.6 -0.908 4.9-152.0-110.8 132.6 11.8 50.8 105.2 92 94 A I E +cd 50 139A 0 46,-3.2 48,-3.5 -2,-0.5 2,-0.4 -0.890 64.6 9.5-103.4 117.6 9.6 50.3 102.2 93 95 A G E - 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