==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-AUG-00 1E6P . 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 . 994 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38195.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 643 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 101 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 8.2 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 . 71 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 223 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 5 5 2 4 0 4 0 4 1 1 0 0 0 0 2 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 2 4 9 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 . 6 2 3 5 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 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 2 A S 0 0 174 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 6.0 33.4 65.2 116.4 2 3 A T - 0 0 126 1,-0.1 2,-0.1 0, 0.0 0, 0.0 -0.498 360.0-101.8 -63.8 136.5 29.8 64.7 115.1 3 4 A R - 0 0 87 -2,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.357 35.6-116.6 -63.8 136.2 28.7 61.3 116.4 4 5 A K - 0 0 44 414,-0.1 394,-0.3 1,-0.1 2,-0.1 -0.535 30.5-113.6 -73.8 139.1 28.9 58.6 113.7 5 6 A A E -a 398 0A 3 392,-2.7 394,-2.9 -2,-0.2 2,-0.4 -0.457 24.8-165.0 -69.3 144.5 25.5 57.1 112.8 6 7 A V E -a 399 0A 0 392,-0.2 38,-2.6 -2,-0.1 39,-2.0 -0.892 13.0-175.9-132.4 100.2 25.0 53.4 113.8 7 8 A I E -ab 400 45A 1 392,-2.8 394,-2.5 -2,-0.4 2,-0.5 -0.864 2.5-175.3-108.8 109.0 22.0 52.2 111.9 8 9 A G E -ab 401 46A 0 37,-2.5 39,-2.2 -2,-0.7 2,-0.2 -0.879 20.6-131.5-108.7 132.2 20.7 48.6 112.6 9 10 A Y E - b 0 47A 5 392,-2.4 395,-2.9 -2,-0.5 2,-0.6 -0.554 11.5-161.4 -76.9 138.7 17.9 46.9 110.7 10 11 A Y E - b 0 48A 3 37,-2.8 39,-2.6 -2,-0.2 2,-0.5 -0.965 17.3-174.7-117.1 107.0 15.2 45.2 112.8 11 12 A F E + b 0 49A 75 -2,-0.6 39,-0.2 37,-0.2 394,-0.1 -0.902 8.8 172.9-108.8 134.5 13.5 42.8 110.4 12 13 A I - 0 0 6 37,-1.8 5,-0.1 -2,-0.5 2,-0.1 -0.950 25.6-134.0-142.5 118.6 10.4 40.8 111.5 13 14 A P >> - 0 0 34 0, 0.0 3,-1.5 0, 0.0 4,-1.3 -0.395 29.7-110.5 -69.0 151.2 8.3 38.7 109.2 14 15 A T H >> S+ 0 0 27 1,-0.3 4,-2.7 2,-0.2 3,-0.7 0.867 114.6 57.6 -46.9 -50.4 4.6 39.0 109.4 15 16 A N H 34 S+ 0 0 98 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.770 106.8 51.2 -58.2 -24.1 3.9 35.6 111.0 16 17 A Q H <4 S+ 0 0 38 -3,-1.5 -1,-0.3 2,-0.2 3,-0.2 0.807 107.5 51.9 -81.5 -29.7 6.3 36.5 113.8 17 18 A I H X< S+ 0 0 4 -4,-1.3 3,-1.4 -3,-0.7 -2,-0.2 0.946 110.1 49.5 -67.6 -46.7 4.4 39.8 114.4 18 19 A N T 3< S+ 0 0 46 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.601 121.5 34.4 -68.4 -11.0 1.2 37.9 114.6 19 20 A N T 3 S+ 0 0 92 -4,-0.3 -1,-0.3 -5,-0.2 -2,-0.2 0.061 86.8 163.4-131.3 24.3 2.7 35.4 117.0 20 21 A Y < + 0 0 14 -3,-1.4 2,-0.3 2,-0.1 -3,-0.1 -0.102 2.1 149.2 -51.9 132.8 4.9 37.8 118.9 21 22 A T - 0 0 38 -5,-0.1 3,-0.2 3,-0.1 -2,-0.1 -0.943 38.8-150.9-159.6 150.4 6.3 36.7 122.2 22 23 A E S S+ 0 0 60 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 0.182 90.5 64.2-111.3 14.0 9.5 37.5 124.0 23 24 A T S S+ 0 0 132 1,-0.2 -1,-0.1 2,-0.0 2,-0.1 0.145 95.5 51.7-124.2 19.0 9.6 34.2 125.8 24 25 A D >> - 0 0 83 4,-0.2 3,-2.9 -3,-0.2 4,-1.9 -0.521 51.4-172.7-158.5 85.3 10.0 31.6 123.1 25 26 A T T 34 S+ 0 0 98 1,-0.3 5,-0.1 2,-0.2 -1,-0.1 0.702 81.9 78.0 -51.5 -21.1 12.7 31.9 120.5 26 27 A S T 34 S+ 0 0 99 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.788 111.7 22.5 -62.0 -25.2 11.1 29.0 118.7 27 28 A V T <4 S+ 0 0 45 -3,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.738 139.0 27.7-109.1 -39.6 8.5 31.4 117.4 28 29 A V < - 0 0 1 -4,-1.9 -1,-0.3 1,-0.2 -4,-0.2 -0.858 65.7-174.7-126.6 96.1 10.2 34.8 117.6 29 30 A P S S+ 0 0 29 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.900 81.8 25.4 -53.4 -45.3 14.0 34.2 117.3 30 31 A F S S- 0 0 25 -5,-0.1 375,-0.1 3,-0.0 -8,-0.1 -0.702 76.5-178.8-129.3 83.8 14.8 37.9 118.0 31 32 A P > - 0 0 3 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.325 42.9-104.4 -77.3 163.2 12.2 39.8 120.1 32 33 A V G > S+ 0 0 3 1,-0.3 3,-2.4 2,-0.2 -10,-0.0 0.810 115.1 69.4 -56.8 -31.8 12.6 43.5 121.0 33 34 A S G 3 S+ 0 0 56 1,-0.3 -1,-0.3 3,-0.0 -11,-0.0 0.714 85.0 71.1 -61.2 -17.7 13.5 42.7 124.6 34 35 A N G < S+ 0 0 50 -3,-2.1 2,-1.5 1,-0.2 -1,-0.3 0.686 80.4 80.1 -71.1 -15.2 16.8 41.3 123.2 35 36 A I S < S- 0 0 6 -3,-2.4 -1,-0.2 -4,-0.3 -3,-0.0 -0.724 79.0-167.0 -92.2 86.8 17.7 44.9 122.5 36 37 A T > - 0 0 56 -2,-1.5 4,-2.6 1,-0.1 3,-0.2 -0.115 37.3 -97.8 -67.4 169.0 18.7 45.8 126.0 37 38 A P H > S+ 0 0 59 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.869 125.8 57.1 -58.7 -34.3 19.2 49.3 127.2 38 39 A A H > S+ 0 0 58 1,-0.2 4,-0.8 2,-0.2 -3,-0.1 0.910 109.6 43.0 -64.0 -41.9 23.0 48.9 126.6 39 40 A K H >> S+ 0 0 34 1,-0.2 3,-0.8 2,-0.2 4,-0.7 0.898 110.1 56.7 -71.4 -37.9 22.4 47.9 123.0 40 41 A A H >< S+ 0 0 0 -4,-2.6 3,-0.6 1,-0.3 -1,-0.2 0.854 104.9 53.0 -62.0 -33.5 19.8 50.7 122.5 41 42 A K H 3< S+ 0 0 102 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.759 105.0 54.8 -72.5 -23.5 22.5 53.2 123.6 42 43 A Q H << S+ 0 0 38 -3,-0.8 2,-0.3 -4,-0.8 -1,-0.2 0.548 100.5 73.5 -86.3 -10.7 25.0 51.9 121.0 43 44 A L << - 0 0 0 -4,-0.7 -36,-0.2 -3,-0.6 43,-0.1 -0.763 51.5-174.8-100.9 152.1 22.5 52.5 118.2 44 45 A T S S+ 0 0 11 -38,-2.6 44,-1.7 1,-0.4 2,-0.3 0.573 79.6 19.1-110.7 -26.7 21.5 55.9 116.7 45 46 A H E -bc 7 88A 4 -39,-2.0 -37,-2.5 42,-0.2 2,-0.5 -1.000 55.7-162.8-145.2 144.1 18.8 54.4 114.4 46 47 A I E -bc 8 89A 0 42,-2.2 44,-2.6 -2,-0.3 2,-0.9 -0.998 17.2-150.0-121.9 123.3 16.8 51.2 114.2 47 48 A N E -bc 9 90A 1 -39,-2.2 -37,-2.8 -2,-0.5 2,-0.4 -0.840 11.1-149.0 -96.5 104.1 15.3 50.6 110.7 48 49 A F E -bc 10 91A 2 42,-2.9 44,-2.9 -2,-0.9 2,-0.3 -0.604 31.7-118.0 -71.8 128.6 12.0 48.7 111.3 49 50 A S E +b 11 0A 0 -39,-2.6 -37,-1.8 -2,-0.4 44,-0.1 -0.982 56.9 8.8-137.1 147.9 11.5 46.5 108.2 50 51 A F E + 0 0 40 42,-0.5 12,-0.3 -2,-0.3 2,-0.2 0.539 45.2 151.1-126.6 150.8 9.7 46.0 105.9 51 52 A L E - c 0 93A 0 41,-2.7 43,-2.9 -3,-0.2 2,-0.2 -0.632 30.4-150.2-105.6 172.4 6.6 48.0 104.8 52 53 A D E -I 60 0B 20 8,-3.0 8,-2.7 -2,-0.2 2,-0.5 -0.685 19.4-109.5-134.1-178.2 5.5 48.1 101.2 53 54 A I E -I 59 0B 5 6,-0.2 6,-0.2 -2,-0.2 55,-0.2 -0.995 43.1-148.5-115.6 119.8 3.8 50.2 98.6 54 55 A N > - 0 0 54 4,-2.4 3,-2.3 -2,-0.5 4,-0.1 -0.154 32.0 -89.6 -84.4-177.4 0.3 48.7 97.8 55 56 A S T 3 S+ 0 0 104 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.704 126.4 64.2 -64.0 -18.2 -1.8 48.7 94.7 56 57 A N T 3 S- 0 0 76 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.482 115.6-119.2 -81.5 -4.0 -3.3 51.9 95.9 57 58 A L S < S+ 0 0 38 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.824 74.7 117.1 68.0 36.4 0.2 53.4 95.5 58 59 A E S S- 0 0 35 -4,-0.1 -4,-2.4 67,-0.1 -1,-0.3 -0.927 75.1 -93.7-129.8 154.0 0.5 54.3 99.2 59 60 A C E +I 53 0B 6 63,-0.4 2,-0.3 -2,-0.3 -6,-0.2 -0.420 60.3 156.7 -64.7 140.1 2.9 53.2 101.9 60 61 A A E -I 52 0B 19 -8,-2.7 -8,-3.0 -2,-0.1 66,-0.0 -0.995 41.3-102.4-165.7 159.5 1.4 50.3 103.9 61 62 A W - 0 0 31 -2,-0.3 -10,-0.1 -10,-0.2 6,-0.0 -0.229 57.7 -80.7 -75.5 169.8 1.9 47.2 106.1 62 63 A D > - 0 0 45 -12,-0.3 3,-2.2 1,-0.1 -1,-0.1 -0.615 43.2-128.6 -71.2 130.5 1.6 43.7 104.8 63 64 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.761 105.5 60.3 -52.6 -32.7 -2.2 42.9 104.6 64 65 A A T 3 S+ 0 0 65 2,-0.1 2,-0.3 3,-0.0 -2,-0.1 0.441 82.2 118.0 -78.1 2.5 -1.9 39.7 106.6 65 66 A T S < S- 0 0 22 -3,-2.2 2,-1.1 1,-0.1 3,-0.1 -0.525 70.0-130.4 -75.8 134.6 -0.5 41.7 109.5 66 67 A N >> - 0 0 72 -2,-0.3 4,-2.6 -52,-0.3 3,-0.9 -0.734 22.5-153.4 -79.4 101.9 -2.4 41.8 112.8 67 68 A D H 3> S+ 0 0 63 -2,-1.1 4,-2.8 1,-0.3 5,-0.2 0.822 89.5 52.8 -49.4 -40.9 -2.4 45.6 113.3 68 69 A A H 3> S+ 0 0 68 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.854 111.7 46.6 -65.5 -35.4 -2.6 45.5 117.1 69 70 A K H <> S+ 0 0 60 -3,-0.9 4,-2.6 2,-0.2 5,-0.2 0.941 111.8 51.3 -69.6 -47.6 0.3 43.1 117.3 70 71 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.925 110.2 49.1 -55.0 -47.1 2.3 45.4 114.8 71 72 A R H X S+ 0 0 72 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.898 110.3 51.2 -62.3 -38.9 1.5 48.4 116.9 72 73 A D H X S+ 0 0 57 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.899 110.7 47.7 -65.5 -41.3 2.7 46.7 120.1 73 74 A V H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.949 114.0 47.4 -64.2 -46.6 6.0 45.6 118.5 74 75 A V H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.919 109.8 52.7 -60.7 -43.9 6.5 49.1 117.2 75 76 A N H X S+ 0 0 84 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.860 105.7 55.0 -62.5 -32.1 5.7 50.6 120.6 76 77 A R H X S+ 0 0 91 -4,-1.8 4,-0.6 2,-0.2 -1,-0.2 0.909 110.4 46.4 -67.2 -37.1 8.2 48.3 122.2 77 78 A L H >< S+ 0 0 0 -4,-1.8 3,-1.6 1,-0.2 4,-0.3 0.960 112.5 47.9 -69.1 -49.7 10.8 49.7 119.8 78 79 A T H >< S+ 0 0 30 -4,-3.1 3,-1.5 1,-0.3 -1,-0.2 0.802 101.8 65.7 -63.5 -22.2 9.9 53.3 120.4 79 80 A A H >< S+ 0 0 62 -4,-1.8 3,-2.0 1,-0.3 -1,-0.3 0.779 86.0 73.1 -67.3 -24.6 10.0 52.7 124.2 80 81 A L G X< S+ 0 0 15 -3,-1.6 3,-2.3 -4,-0.6 4,-0.4 0.729 76.3 77.9 -61.9 -22.8 13.7 52.1 123.8 81 82 A K G X S+ 0 0 55 -3,-1.5 3,-0.8 -4,-0.3 -1,-0.3 0.722 75.7 76.4 -60.0 -19.2 14.1 55.8 123.3 82 83 A A G < S+ 0 0 89 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.754 99.5 43.1 -62.4 -22.4 13.7 56.1 127.0 83 84 A H G < S+ 0 0 77 -3,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.526 123.4 32.4-100.7 -8.9 17.3 54.8 127.2 84 85 A N X - 0 0 9 -3,-0.8 3,-1.6 -4,-0.4 -1,-0.3 -0.781 58.8-164.5-153.1 101.6 18.8 56.9 124.4 85 86 A P T 3 S+ 0 0 115 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.586 93.3 54.0 -63.4 -9.9 17.6 60.4 123.6 86 87 A S T 3 S+ 0 0 57 -43,-0.1 2,-0.1 -45,-0.1 -5,-0.1 0.565 83.6 114.0 -99.7 -10.4 19.3 60.4 120.2 87 88 A L < - 0 0 1 -3,-1.6 2,-0.4 -6,-0.2 -42,-0.2 -0.341 45.3-167.5 -68.8 138.7 17.7 57.1 119.1 88 89 A R E -c 45 0A 25 -44,-1.7 -42,-2.2 -2,-0.1 2,-0.8 -0.984 15.0-148.8-124.2 134.7 15.3 57.1 116.1 89 90 A I E -c 46 0A 0 -2,-0.4 47,-3.1 -44,-0.2 48,-0.5 -0.891 27.3-176.1-103.5 104.2 13.0 54.2 115.1 90 91 A M E -cd 47 137A 0 -44,-2.6 -42,-2.9 -2,-0.8 2,-0.4 -0.475 17.4-137.3 -90.6 166.2 12.8 54.6 111.3 91 92 A F E -cd 48 138A 0 46,-1.3 48,-2.8 -44,-0.2 2,-0.5 -0.990 13.5-143.4-125.3 141.4 10.6 52.4 109.1 92 93 A S E - d 0 139A 0 -44,-2.9 -41,-2.7 -2,-0.4 2,-0.6 -0.889 4.7-154.9-107.7 132.9 11.8 51.0 105.8 93 94 A I E +cd 51 140A 0 46,-2.8 48,-3.0 -2,-0.5 2,-0.5 -0.912 62.9 3.2-107.0 121.1 9.7 50.6 102.7 94 95 A G E - 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0 0 10 -3,-1.2 -1,-0.2 -5,-0.2 2,-0.2 -0.920 56.4-148.6-107.5 104.9 25.5 62.8 56.1 777 281 B P >> - 0 0 57 0, 0.0 3,-1.6 0, 0.0 4,-0.5 -0.504 14.0-133.4 -78.6 143.6 25.0 61.5 52.6 778 282 B S G >4 S+ 0 0 33 1,-0.3 3,-1.7 -2,-0.2 116,-0.9 0.884 102.6 66.8 -60.3 -36.2 28.0 60.1 50.7 779 283 B A G 34 S+ 0 0 62 1,-0.3 -1,-0.3 114,-0.2 114,-0.1 0.641 99.4 51.1 -61.1 -16.3 27.0 62.1 47.6 780 284 B K G <4 S+ 0 0 51 -3,-1.6 -75,-2.8 -76,-0.1 2,-0.5 0.573 88.8 96.1 -95.8 -10.3 27.7 65.4 49.4 781 285 B I E << -b 705 0I 0 -3,-1.7 113,-2.7 -4,-0.5 114,-0.8 -0.673 55.5-168.4 -85.9 127.2 31.2 64.4 50.5 782 286 B V E -bc 706 895I 0 -77,-2.6 -75,-2.7 -2,-0.5 2,-0.5 -0.954 16.8-133.8-116.2 131.1 34.0 65.5 48.3 783 287 B M E -bc 707 896I 0 112,-2.3 114,-2.6 -2,-0.5 2,-0.2 -0.713 17.8-145.7 -85.0 124.2 37.5 64.2 48.7 784 288 B G E - c 0 897I 0 -77,-1.0 114,-0.2 -2,-0.5 -76,-0.0 -0.605 15.8-172.9 -87.6 150.7 40.3 66.8 48.7 785 289 B V E - c 0 898I 0 112,-2.1 114,-1.4 -2,-0.2 2,-0.4 -0.979 21.9-118.4-138.5 149.1 43.7 66.0 47.2 786 290 B P E - 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