==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-AUG-00 1E6N . 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) . 37513.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 657 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 99 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 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 . 70 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 123 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 22.8 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 4 5 3 4 2 2 0 3 1 2 0 0 0 0 2 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 5 7 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 . 6 2 3 5 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 0 178 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.4 29.7 65.5 114.8 2 4 A R - 0 0 99 1,-0.1 2,-0.3 395,-0.0 419,-0.0 -0.133 360.0-117.2 -50.0 136.5 28.6 62.2 116.2 3 5 A K - 0 0 41 414,-0.1 394,-0.3 1,-0.1 -1,-0.1 -0.603 30.7-114.7 -77.7 135.5 28.7 59.3 113.7 4 6 A A E -a 397 0A 3 392,-2.5 394,-2.5 -2,-0.3 2,-0.4 -0.381 22.6-162.9 -66.9 145.8 25.3 57.7 113.0 5 7 A V E -a 398 0A 0 392,-0.2 38,-2.2 279,-0.0 39,-1.7 -0.860 15.3-170.4-132.2 93.5 24.8 54.1 114.1 6 8 A I E -ab 399 44A 1 392,-2.9 394,-2.6 -2,-0.4 2,-0.8 -0.781 6.3-168.6 -96.3 108.2 21.8 53.0 112.2 7 9 A G E -ab 400 45A 0 37,-2.9 39,-2.3 -2,-0.8 394,-0.1 -0.808 9.6-153.9-100.0 109.5 20.3 49.6 113.1 8 10 A Y E - b 0 46A 3 392,-2.3 395,-2.9 -2,-0.8 394,-0.5 -0.523 15.3-160.3 -68.4 150.1 17.7 48.1 110.8 9 11 A Y E - b 0 47A 2 37,-2.5 39,-3.2 393,-0.2 2,-0.5 -0.947 2.8-161.2-139.1 111.0 15.5 45.8 112.9 10 12 A F E + b 0 48A 73 -2,-0.4 39,-0.2 37,-0.2 37,-0.1 -0.833 15.3 171.4-103.1 126.2 13.5 43.2 111.2 11 13 A I - 0 0 7 37,-1.8 5,-0.1 -2,-0.5 -2,-0.0 -0.961 31.1-131.8-130.3 110.5 10.5 41.4 112.7 12 14 A P >> - 0 0 34 0, 0.0 3,-2.2 0, 0.0 4,-1.5 -0.285 27.2-107.1 -60.4 150.3 8.5 39.2 110.3 13 15 A T H 3> S+ 0 0 33 1,-0.3 4,-2.5 2,-0.2 52,-0.3 0.811 118.3 54.7 -47.5 -39.5 4.7 39.7 110.3 14 16 A N H 34 S+ 0 0 98 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.670 105.5 53.8 -75.6 -11.5 4.0 36.5 112.1 15 17 A Q H <4 S+ 0 0 23 -3,-2.2 -1,-0.2 2,-0.2 3,-0.2 0.807 107.7 48.9 -86.1 -33.1 6.4 37.5 114.9 16 18 A I H >< S+ 0 0 3 -4,-1.5 3,-2.0 1,-0.2 -2,-0.2 0.983 112.4 51.2 -63.2 -52.0 4.5 40.7 115.4 17 19 A N T 3< S+ 0 0 43 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.606 122.4 29.4 -59.0 -18.4 1.4 38.6 115.4 18 20 A N T 3 S+ 0 0 90 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.2 -0.069 90.3 168.6-132.1 31.7 2.7 36.2 118.1 19 21 A Y < + 0 0 19 -3,-2.0 2,-0.3 2,-0.1 -3,-0.1 -0.134 1.8 153.5 -56.1 136.9 5.0 38.7 119.8 20 22 A T - 0 0 36 -5,-0.1 3,-0.2 3,-0.1 7,-0.2 -0.938 40.4-151.5-164.2 141.1 6.5 37.7 123.2 21 23 A E S S+ 0 0 50 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 0.095 94.1 58.8-100.3 20.6 9.6 38.7 125.1 22 24 A T S S+ 0 0 130 1,-0.2 2,-0.4 2,-0.0 -1,-0.2 0.531 93.4 56.7-128.0 -6.2 9.7 35.3 126.8 23 25 A D >> - 0 0 72 -3,-0.2 4,-2.4 4,-0.1 3,-1.8 -0.838 50.9-172.8-132.2 99.9 10.0 32.6 124.2 24 26 A T T 34 S+ 0 0 76 -2,-0.4 -1,-0.1 1,-0.3 5,-0.1 0.688 84.8 68.1 -63.2 -19.7 12.9 32.8 121.7 25 27 A S T 34 S+ 0 0 75 2,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.759 114.0 30.9 -69.9 -22.9 11.6 29.9 119.7 26 28 A V T <4 S+ 0 0 47 -3,-1.8 -2,-0.2 1,-0.3 -1,-0.1 0.865 139.7 16.6 -97.6 -55.4 8.8 32.3 118.7 27 29 A V < - 0 0 0 -4,-2.4 -1,-0.3 -7,-0.2 -2,-0.1 -0.935 69.2-171.0-122.5 101.8 10.5 35.7 118.8 28 30 A P S S+ 0 0 26 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.833 82.1 25.9 -59.8 -39.7 14.3 35.1 118.7 29 31 A F S S- 0 0 9 -5,-0.1 -8,-0.1 3,-0.0 375,-0.1 -0.715 78.6-175.8-132.5 82.9 15.2 38.8 119.4 30 32 A P > - 0 0 3 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.327 43.2-103.4 -73.3 161.5 12.4 40.7 121.3 31 33 A V G > S+ 0 0 6 1,-0.3 3,-2.0 2,-0.2 -10,-0.0 0.724 115.6 75.3 -58.7 -22.4 12.8 44.4 122.0 32 34 A S G 3 S+ 0 0 62 1,-0.3 -1,-0.3 3,-0.0 -11,-0.0 0.701 80.7 71.3 -63.6 -18.9 13.6 43.6 125.6 33 35 A N G < S+ 0 0 30 -3,-2.3 2,-1.3 1,-0.2 -1,-0.3 0.766 82.3 79.9 -67.9 -22.1 17.0 42.5 124.3 34 36 A I S < S- 0 0 5 -3,-2.0 -1,-0.2 -4,-0.3 -3,-0.0 -0.666 72.5-171.3 -89.7 88.8 17.7 46.2 123.8 35 37 A T > - 0 0 62 -2,-1.3 4,-3.0 1,-0.1 3,-0.4 -0.190 41.2 -96.8 -72.6 167.8 18.6 47.5 127.2 36 38 A P H > S+ 0 0 54 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.909 127.8 53.8 -52.6 -41.8 19.0 51.2 128.1 37 39 A A H > S+ 0 0 55 1,-0.2 4,-0.6 2,-0.2 -3,-0.1 0.886 111.0 44.9 -60.7 -39.6 22.8 50.8 127.6 38 40 A K H >> S+ 0 0 24 -3,-0.4 3,-1.3 2,-0.2 4,-0.9 0.905 107.6 57.2 -72.0 -38.9 22.2 49.3 124.1 39 41 A A H >< S+ 0 0 0 -4,-3.0 3,-0.7 1,-0.3 -2,-0.2 0.872 104.2 55.8 -57.4 -35.7 19.6 52.0 123.3 40 42 A K H 3< S+ 0 0 109 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.718 100.9 56.5 -69.2 -22.2 22.4 54.5 124.0 41 43 A Q H << S+ 0 0 33 -3,-1.3 2,-0.2 -4,-0.6 -1,-0.2 0.659 100.6 71.5 -84.6 -14.5 24.8 52.9 121.5 42 44 A L << - 0 0 0 -4,-0.9 -36,-0.2 -3,-0.7 43,-0.1 -0.647 49.8-177.7 -98.3 153.9 22.2 53.4 118.7 43 45 A T S S+ 0 0 11 -38,-2.2 44,-1.8 1,-0.4 2,-0.3 0.531 79.2 21.5-116.7 -27.8 21.2 56.7 117.0 44 46 A H E -bc 6 87A 5 -39,-1.7 -37,-2.9 42,-0.2 2,-0.5 -1.000 56.4-165.5-142.0 141.4 18.6 55.2 114.7 45 47 A I E -bc 7 88A 0 42,-2.7 44,-3.1 -2,-0.3 2,-0.9 -0.994 14.0-156.0-124.9 120.7 16.5 52.0 114.7 46 48 A N E -bc 8 89A 1 -39,-2.3 -37,-2.5 -2,-0.5 44,-0.2 -0.792 12.0-144.8 -99.7 94.8 14.9 51.3 111.4 47 49 A F E -bc 9 90A 4 42,-2.9 44,-2.9 -2,-0.9 2,-0.4 -0.425 31.4-116.9 -60.0 125.2 11.8 49.1 112.0 48 50 A S E +bc 10 91A 0 -39,-3.2 -37,-1.8 -2,-0.2 44,-0.1 -0.955 63.0 8.7-123.1 135.1 11.6 46.8 109.0 49 51 A F E + 0 0 29 42,-0.5 12,-0.3 -2,-0.4 2,-0.2 0.617 44.0 153.5-134.3 153.5 9.5 46.5 106.9 50 52 A L E - c 0 92A 0 41,-2.9 43,-2.8 -3,-0.2 2,-0.2 -0.634 32.5-148.7-104.9 172.5 6.3 48.3 105.9 51 53 A D E -I 59 0B 10 8,-2.4 8,-2.4 -2,-0.2 2,-0.5 -0.682 18.4-109.3-133.8-178.8 5.1 48.1 102.3 52 54 A I E -I 58 0B 6 6,-0.2 6,-0.2 -2,-0.2 55,-0.2 -0.983 43.0-151.6-117.0 112.5 3.2 50.0 99.6 53 55 A N > - 0 0 49 4,-2.2 3,-1.7 -2,-0.5 8,-0.0 -0.032 32.4 -86.8 -79.2-174.7 -0.2 48.5 99.1 54 56 A S T 3 S+ 0 0 105 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.696 126.0 61.7 -64.8 -22.9 -2.5 48.2 96.1 55 57 A N T 3 S- 0 0 79 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.378 117.1-117.3 -83.4 3.1 -4.1 51.6 96.9 56 58 A L S < S+ 0 0 41 -3,-1.7 2,-0.3 1,-0.2 -2,-0.1 0.805 75.4 117.6 66.0 32.7 -0.6 53.0 96.4 57 59 A E S S- 0 0 37 67,-0.1 -4,-2.2 66,-0.1 -1,-0.2 -0.880 74.2 -93.0-125.7 158.2 -0.1 54.2 100.0 58 60 A C E +I 52 0B 5 63,-0.5 2,-0.3 -2,-0.3 -6,-0.2 -0.510 60.9 149.5 -70.0 135.7 2.4 53.2 102.8 59 61 A A E -I 51 0B 21 -8,-2.4 -8,-2.4 -2,-0.2 66,-0.0 -0.985 46.6 -95.5-165.9 156.4 0.9 50.5 105.0 60 62 A W - 0 0 29 -2,-0.3 -10,-0.1 -10,-0.2 6,-0.0 -0.242 64.9 -71.3 -70.3 166.7 1.7 47.5 107.1 61 63 A D > - 0 0 35 -12,-0.3 3,-2.4 1,-0.1 -1,-0.2 -0.319 46.9-118.7 -58.5 138.7 1.5 44.0 105.7 62 64 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.825 112.8 54.7 -48.6 -38.6 -2.2 43.0 105.1 63 65 A A T 3 S+ 0 0 65 2,-0.1 2,-0.3 0, 0.0 -2,-0.1 0.280 82.8 124.0 -82.8 11.2 -1.9 40.1 107.5 64 66 A T < - 0 0 26 -3,-2.4 2,-1.0 1,-0.1 -50,-0.1 -0.567 63.1-132.7 -82.2 134.9 -0.6 42.3 110.4 65 67 A N > - 0 0 64 -2,-0.3 4,-2.2 -52,-0.3 3,-0.4 -0.732 20.3-155.3 -79.3 105.2 -2.4 42.4 113.7 66 68 A D H > S+ 0 0 65 -2,-1.0 4,-2.3 1,-0.2 5,-0.2 0.780 87.6 55.0 -55.0 -34.5 -2.6 46.2 114.3 67 69 A A H > S+ 0 0 69 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.927 111.2 44.0 -68.0 -44.1 -2.8 46.0 118.1 68 70 A K H > S+ 0 0 68 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.889 111.2 55.4 -66.9 -38.1 0.4 43.9 118.3 69 71 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.962 109.2 45.7 -59.1 -51.7 2.1 46.1 115.8 70 72 A R H X S+ 0 0 77 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.872 111.3 53.8 -61.2 -35.4 1.4 49.3 117.8 71 73 A D H X S+ 0 0 62 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.920 111.4 44.6 -64.4 -42.9 2.5 47.4 121.0 72 74 A V H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.923 113.7 49.3 -67.2 -44.8 5.8 46.5 119.4 73 75 A V H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.922 110.5 51.7 -61.2 -41.6 6.4 50.0 118.0 74 76 A N H X S+ 0 0 87 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.872 104.9 55.6 -63.3 -37.4 5.6 51.5 121.4 75 77 A R H X S+ 0 0 98 -4,-1.8 4,-0.5 -5,-0.2 -1,-0.2 0.930 111.5 45.7 -60.3 -41.1 8.1 49.2 123.0 76 78 A L H >< S+ 0 0 0 -4,-1.8 3,-2.0 1,-0.2 4,-0.3 0.964 111.7 47.7 -66.5 -54.4 10.7 50.6 120.6 77 79 A T H >< S+ 0 0 31 -4,-2.9 3,-1.6 1,-0.3 -1,-0.2 0.759 101.1 68.2 -62.0 -20.4 9.9 54.3 121.0 78 80 A A H >< S+ 0 0 58 -4,-1.6 3,-1.7 1,-0.3 -1,-0.3 0.783 86.2 69.6 -67.3 -25.1 9.9 53.8 124.8 79 81 A L G XX S+ 0 0 12 -3,-2.0 3,-1.5 -4,-0.5 4,-0.6 0.690 78.9 78.8 -65.0 -17.8 13.6 53.3 124.3 80 82 A K G X4 S+ 0 0 60 -3,-1.6 3,-0.6 -4,-0.3 -1,-0.3 0.751 77.9 71.6 -63.9 -19.9 13.8 57.0 123.5 81 83 A A G <4 S+ 0 0 87 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.836 99.8 46.0 -63.6 -31.4 13.6 57.6 127.3 82 84 A H G <4 S+ 0 0 83 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.596 122.5 30.8 -89.0 -10.3 17.2 56.3 127.6 83 85 A N X< - 0 0 8 -3,-0.6 3,-1.9 -4,-0.6 -1,-0.3 -0.803 61.4-162.6-153.0 103.2 18.7 58.2 124.7 84 86 A P T 3 S+ 0 0 117 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.586 93.4 54.3 -60.7 -16.6 17.4 61.7 123.7 85 87 A S T 3 S+ 0 0 57 -43,-0.1 2,-0.2 2,-0.0 -5,-0.1 0.418 83.6 115.4 -97.0 -3.5 19.1 61.5 120.3 86 88 A L < - 0 0 0 -3,-1.9 2,-0.4 -6,-0.2 -42,-0.2 -0.499 45.6-165.9 -74.8 135.0 17.5 58.1 119.4 87 89 A R E -c 44 0A 22 -44,-1.8 -42,-2.7 -2,-0.2 2,-0.8 -0.976 13.4-152.4-121.9 132.1 15.1 57.9 116.4 88 90 A I E +c 45 0A 0 -2,-0.4 47,-3.6 -44,-0.2 48,-0.5 -0.898 27.9 178.2-100.7 108.8 12.8 55.0 115.7 89 91 A M E -c 46 0A 0 -44,-3.1 -42,-2.9 -2,-0.8 2,-0.4 -0.587 20.9-136.5-103.2 168.4 12.4 55.1 111.9 90 92 A F E -cd 47 137A 0 46,-1.3 48,-2.6 -44,-0.2 2,-0.5 -0.964 13.7-141.4-125.1 147.2 10.3 52.8 109.8 91 93 A S E -cd 48 138A 0 -44,-2.9 -41,-2.9 -2,-0.4 2,-0.6 -0.920 5.6-149.4-113.3 135.9 11.6 51.4 106.5 92 94 A I E +cd 50 139A 0 46,-3.0 48,-3.2 -2,-0.5 2,-0.6 -0.889 65.6 3.2-104.4 122.9 9.4 50.9 103.5 93 95 A G E > + d 0 140A 0 -43,-2.8 4,-0.5 -2,-0.6 48,-0.2 -0.921 60.0 178.5 119.4-114.8 10.2 48.0 101.1 94 96 A G H > - 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