==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-FEB-09 3G6L . COMPND 2 MOLECULE: CHITINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BIONECTRIA OCHROLEUCA; . AUTHOR Z.GAN,Z.LOU,Z.RAO,K.-Q.ZHANG . 388 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14686.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 29 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.1 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 0 1 0 1 1 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 2 5 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 PARALLEL BRIDGES PER LADDER . 2 0 2 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 0 0 1 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 39 A T 0 0 135 0, 0.0 367,-2.4 0, 0.0 368,-0.3 0.000 360.0 360.0 360.0 150.7 -5.5 11.6 23.3 2 40 A G - 0 0 42 365,-0.2 2,-0.3 366,-0.1 364,-0.3 -0.160 360.0 -57.8 88.5-169.6 -5.2 12.1 19.5 3 41 A S B -a 366 0A 21 362,-2.0 364,-2.6 364,-0.1 336,-0.2 -0.846 41.0-106.0-120.8 151.9 -3.2 10.6 16.7 4 42 A I E +b 339 0B 17 334,-2.5 336,-2.9 -2,-0.3 2,-0.3 -0.507 27.1 179.9 -71.1 137.0 0.5 10.1 15.7 5 43 A N E -b 340 0B 0 334,-0.2 25,-2.4 -2,-0.2 26,-1.3 -0.808 15.6-178.2-136.3 91.0 1.8 12.3 12.9 6 44 A A E -bc 341 31B 2 334,-2.7 336,-1.6 -2,-0.3 2,-0.4 -0.755 4.6-168.8-102.0 141.6 5.4 11.2 12.5 7 45 A V E -bc 342 32B 0 24,-3.0 26,-3.3 -2,-0.3 2,-0.3 -0.990 19.1-133.1-138.0 127.8 7.8 12.8 10.1 8 46 A Y E - c 0 33B 2 334,-2.9 337,-2.5 -2,-0.4 2,-0.4 -0.612 21.7-173.2 -75.4 134.7 11.3 11.9 8.8 9 47 A F E - c 0 34B 1 24,-2.1 26,-2.3 -2,-0.3 2,-0.3 -0.982 14.1-146.6-132.2 118.5 13.7 14.8 8.9 10 48 A T E > - c 0 35B 2 -2,-0.4 3,-1.5 24,-0.2 4,-0.2 -0.675 12.0-139.7 -93.4 136.5 17.0 14.0 7.3 11 49 A N G > S+ 0 0 6 24,-3.0 3,-0.7 -2,-0.3 25,-0.1 0.759 105.1 56.8 -69.6 -18.3 20.2 15.6 8.6 12 50 A W G > S+ 0 0 84 23,-0.3 3,-1.5 1,-0.2 5,-0.4 0.510 81.6 85.4 -88.2 -4.5 21.4 16.1 5.0 13 51 A G G < S+ 0 0 1 -3,-1.5 6,-2.7 1,-0.3 -1,-0.2 0.672 75.8 75.6 -65.0 -13.4 18.2 18.1 4.1 14 52 A I G < S+ 0 0 8 -3,-0.7 -1,-0.3 4,-0.2 -2,-0.1 0.605 94.6 48.6 -78.4 -12.3 20.2 21.0 5.5 15 53 A Y S X S- 0 0 103 -3,-1.5 3,-1.5 4,-0.1 -2,-0.1 0.707 124.7 -0.8 -92.1-108.9 22.4 21.3 2.4 16 54 A G T 3 S+ 0 0 59 1,-0.3 -3,-0.1 -4,-0.3 -2,-0.1 0.848 134.3 52.3 -56.0 -38.2 21.1 21.3 -1.2 17 55 A R T 3 S- 0 0 59 -5,-0.4 -1,-0.3 2,-0.1 -3,-0.2 0.666 95.8-149.3 -73.3 -15.8 17.5 21.0 -0.1 18 56 A N < + 0 0 118 -3,-1.5 2,-0.5 -6,-0.2 -4,-0.2 0.859 42.7 146.7 50.9 43.9 18.1 23.9 2.3 19 57 A F - 0 0 30 -6,-2.7 -1,-0.2 -7,-0.1 -2,-0.1 -0.963 25.6-172.7-118.5 112.0 15.6 22.6 4.8 20 58 A Q > - 0 0 25 -2,-0.5 3,-1.6 -3,-0.1 4,-0.3 -0.608 38.8-104.4-103.5 160.8 16.4 23.4 8.5 21 59 A P G > S+ 0 0 0 0, 0.0 3,-2.1 0, 0.0 5,-0.1 0.869 116.1 64.4 -53.5 -38.0 14.6 22.1 11.6 22 60 A A G 3 S+ 0 0 58 1,-0.3 4,-0.2 3,-0.1 -3,-0.0 0.658 91.8 64.2 -64.5 -16.4 12.9 25.5 12.2 23 61 A D G < S+ 0 0 91 -3,-1.6 -1,-0.3 2,-0.1 2,-0.0 0.540 78.9 107.3 -80.9 -12.4 10.9 25.1 8.9 24 62 A L S < S- 0 0 14 -3,-2.1 2,-1.9 -4,-0.3 3,-0.2 -0.371 83.6-119.4 -58.6 145.7 9.1 22.0 10.3 25 63 A Q > + 0 0 62 1,-0.2 3,-2.7 2,-0.1 4,-0.3 -0.590 42.3 178.8 -80.5 73.6 5.4 22.6 11.1 26 64 A A G > S+ 0 0 9 -2,-1.9 3,-0.6 1,-0.3 -1,-0.2 0.704 71.6 60.8 -57.1 -24.5 6.4 21.6 14.7 27 65 A S G 3 S+ 0 0 66 1,-0.2 -1,-0.3 -3,-0.2 339,-0.1 0.523 106.7 46.5 -80.5 -5.2 2.8 22.1 16.0 28 66 A K G < S+ 0 0 65 -3,-2.7 2,-0.4 338,-0.0 -1,-0.2 0.315 99.6 80.5-114.9 3.4 1.5 19.4 13.6 29 67 A I < + 0 0 1 -3,-0.6 -23,-0.2 -4,-0.3 3,-0.2 -0.918 43.1 178.9-116.7 132.0 4.1 16.7 14.3 30 68 A L S S+ 0 0 0 -25,-2.4 58,-2.8 -2,-0.4 2,-0.4 0.712 78.7 29.8 -98.7 -21.1 4.3 14.4 17.2 31 69 A H E -cd 6 88B 7 -26,-1.3 -24,-3.0 56,-0.2 2,-0.6 -0.973 60.6-162.3-142.0 118.2 7.4 12.5 16.2 32 70 A V E -cd 7 89B 0 56,-2.8 58,-3.3 -2,-0.4 2,-1.2 -0.919 15.7-148.8 -94.1 121.7 10.3 13.8 14.3 33 71 A L E -cd 8 90B 1 -26,-3.3 -24,-2.1 -2,-0.6 2,-0.7 -0.777 15.0-154.0 -91.3 88.3 12.3 10.8 13.0 34 72 A Y E -cd 9 91B 1 56,-2.4 58,-2.8 -2,-1.2 2,-0.3 -0.597 27.6-121.1 -72.7 111.2 15.8 12.4 13.1 35 73 A S E +c 10 0B 0 -26,-2.3 -24,-3.0 -2,-0.7 -23,-0.3 -0.829 53.1 1.2-127.2 144.2 17.7 10.4 10.4 36 74 A F E + 0 0 20 56,-0.5 12,-0.6 -2,-0.3 2,-0.2 0.660 36.7 169.5-122.4 154.5 20.2 8.8 10.2 37 75 A M E -Ed 47 93B 1 55,-2.6 57,-2.2 -3,-0.2 10,-0.2 -0.643 32.5-135.8 -83.7 154.9 22.8 7.5 12.6 38 76 A N E -E 46 0B 24 8,-2.6 8,-2.1 -2,-0.2 2,-0.3 -0.513 15.0-148.6-103.4 173.6 25.2 4.9 11.3 39 77 A L E -E 45 0B 0 6,-0.2 6,-0.2 -2,-0.2 2,-0.2 -0.992 6.1-135.3-149.7 143.5 26.4 1.7 13.1 40 78 A R > - 0 0 116 4,-2.6 3,-2.2 -2,-0.3 61,-0.0 -0.587 34.9-108.0 -88.7 156.5 29.4 -0.5 13.2 41 79 A V T 3 S+ 0 0 73 1,-0.3 -1,-0.1 -2,-0.2 70,-0.1 0.734 120.0 60.6 -50.9 -29.8 29.4 -4.3 13.1 42 80 A D T 3 S- 0 0 69 2,-0.1 -1,-0.3 64,-0.1 72,-0.2 0.436 125.7-101.5 -84.2 3.2 30.3 -4.3 16.9 43 81 A G S < S+ 0 0 0 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.273 71.3 150.1 99.3 -7.5 27.1 -2.4 17.6 44 82 A T - 0 0 22 -5,-0.1 -4,-2.6 74,-0.1 2,-0.3 -0.453 33.4-153.7 -68.6 116.9 28.6 1.0 18.0 45 83 A V E +E 39 0B 2 -2,-0.4 2,-0.3 69,-0.3 -6,-0.2 -0.720 23.4 171.4 -85.0 135.9 26.1 3.7 16.9 46 84 A Y E -E 38 0B 91 -8,-2.1 -8,-2.6 -2,-0.3 2,-0.3 -0.984 38.0 -93.4-146.4 155.6 27.7 6.9 15.7 47 85 A S E -E 37 0B 20 -2,-0.3 3,-0.3 -10,-0.2 -10,-0.1 -0.543 22.3-158.8 -63.9 129.7 26.9 10.2 14.0 48 86 A G S S+ 0 0 39 -12,-0.6 -1,-0.1 -2,-0.3 2,-0.1 0.479 88.6 20.4 -82.6 -3.1 27.3 10.2 10.2 49 87 A D > + 0 0 37 1,-0.0 4,-2.4 2,-0.0 -1,-0.3 -0.558 61.1 179.9-168.2 89.2 27.6 14.0 10.1 50 88 A T H >>S+ 0 0 67 -3,-0.3 4,-2.5 1,-0.2 5,-1.0 0.751 84.0 60.5 -73.5 -23.8 28.6 15.8 13.2 51 89 A Y H >>S+ 0 0 102 3,-0.2 5,-2.4 2,-0.2 4,-1.0 0.946 111.7 38.0 -64.6 -44.3 28.4 19.2 11.5 52 90 A A H 45S+ 0 0 0 1,-0.2 21,-3.1 3,-0.2 22,-0.3 0.952 122.6 43.4 -75.3 -43.7 24.8 18.7 10.7 53 91 A D H <5S- 0 0 0 -4,-2.4 21,-2.2 19,-0.2 22,-0.3 0.871 138.3 -8.0 -66.9 -43.2 23.9 17.1 14.0 54 92 A L H <5S+ 0 0 26 -4,-2.5 17,-1.8 18,-0.2 -3,-0.2 0.549 122.0 52.6-138.8 -11.7 25.8 19.3 16.4 55 93 A E T << + 0 0 103 -5,-1.0 -4,-0.2 -4,-1.0 -3,-0.2 0.677 68.0 106.3-113.9 -25.2 28.2 21.9 15.0 56 94 A K < - 0 0 38 -5,-2.4 16,-3.0 -6,-0.2 2,-0.6 -0.428 59.9-145.2 -62.0 127.8 26.4 24.1 12.4 57 95 A H - 0 0 38 14,-0.2 2,-0.1 -2,-0.1 -1,-0.1 -0.892 8.7-156.8 -97.7 121.4 25.7 27.6 14.0 58 96 A Y > - 0 0 27 -2,-0.6 3,-2.0 14,-0.1 14,-0.0 -0.367 41.2 -92.4 -83.6 171.6 22.5 29.2 13.0 59 97 A S T 3 S+ 0 0 136 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.723 127.8 56.3 -62.6 -21.7 22.3 33.1 13.2 60 98 A D T 3 S+ 0 0 73 2,-0.1 2,-0.3 0, 0.0 -1,-0.3 0.587 90.9 97.1 -74.6 -18.2 20.8 32.7 16.8 61 99 A D < - 0 0 14 -3,-2.0 2,-0.2 2,-0.0 -4,-0.1 -0.635 63.9-144.7 -89.3 134.1 23.9 30.7 17.9 62 100 A S - 0 0 53 -2,-0.3 3,-0.3 1,-0.1 -4,-0.1 -0.587 8.8-146.2 -93.0 153.3 26.9 32.2 19.8 63 101 A W S S+ 0 0 193 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 0.522 96.2 47.8 -91.8 -9.6 30.6 31.1 19.4 64 102 A N S S+ 0 0 146 2,-0.0 -1,-0.2 0, 0.0 3,-0.1 0.052 70.0 150.0-128.5 25.5 31.5 31.8 23.0 65 103 A D - 0 0 66 -3,-0.3 2,-0.4 1,-0.1 4,-0.1 -0.188 58.6 -96.3 -47.3 147.3 28.7 30.2 25.1 66 104 A I S S- 0 0 163 2,-0.1 2,-0.2 315,-0.0 -1,-0.1 -0.622 86.3 -4.4 -71.5 123.6 30.0 29.0 28.5 67 105 A G S S- 0 0 50 -2,-0.4 2,-0.5 -3,-0.1 313,-0.1 -0.526 107.5 -35.3 105.3-159.5 30.9 25.3 28.6 68 106 A T S S- 0 0 88 311,-0.2 313,-3.0 -2,-0.2 314,-0.3 -0.933 72.2-177.5-107.3 128.2 30.6 22.5 26.0 69 107 A N - 0 0 23 -2,-0.5 2,-0.4 311,-0.2 -2,-0.1 -0.856 27.1-124.9-137.3 155.0 27.5 23.0 23.9 70 108 A A + 0 0 0 -2,-0.3 -15,-0.1 1,-0.1 2,-0.1 -0.814 32.9 155.1-101.9 143.5 25.4 21.5 21.2 71 109 A Y >> + 0 0 20 -17,-1.8 4,-2.3 -2,-0.4 3,-0.5 -0.216 37.0 73.2-134.7-136.2 24.3 23.4 18.0 72 110 A G H 3> S- 0 0 0 -16,-3.0 4,-1.8 1,-0.2 -19,-0.2 -0.002 115.7 -33.6 48.8-157.5 23.4 22.0 14.6 73 111 A C H 3> S+ 0 0 0 -21,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.745 135.0 68.3 -65.6 -25.4 20.0 20.4 14.1 74 112 A V H <> S+ 0 0 0 -21,-2.2 4,-1.7 -3,-0.5 -1,-0.2 0.954 105.7 37.4 -58.2 -53.7 20.3 19.1 17.7 75 113 A K H X S+ 0 0 28 -4,-2.3 4,-2.2 -22,-0.3 -1,-0.2 0.932 116.3 54.6 -65.8 -37.9 19.9 22.5 19.3 76 114 A Q H X S+ 0 0 9 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.878 110.1 45.9 -64.2 -38.2 17.4 23.6 16.6 77 115 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.801 109.7 54.8 -75.6 -30.3 15.1 20.6 17.3 78 116 A Y H X S+ 0 0 2 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.899 103.4 55.4 -70.0 -39.6 15.4 21.1 21.1 79 117 A K H X S+ 0 0 98 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.902 108.6 48.7 -52.1 -45.6 14.2 24.7 20.7 80 118 A L H X S+ 0 0 27 -4,-1.2 4,-1.5 1,-0.2 -2,-0.2 0.870 105.9 57.5 -66.8 -40.8 11.1 23.3 18.9 81 119 A K H < S+ 0 0 0 -4,-1.9 6,-0.3 1,-0.2 -1,-0.2 0.889 104.2 52.7 -51.9 -48.5 10.5 20.8 21.7 82 120 A K H < S+ 0 0 74 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.863 114.4 41.0 -57.5 -40.4 10.4 23.6 24.2 83 121 A A H < S+ 0 0 80 -4,-1.2 2,-0.4 1,-0.2 -1,-0.2 0.622 121.4 42.2 -85.4 -20.0 7.7 25.5 22.2 84 122 A N >< - 0 0 52 -4,-1.5 3,-2.0 -5,-0.1 -1,-0.2 -0.829 65.1-172.8-133.9 96.1 5.7 22.4 21.3 85 123 A R T 3 S+ 0 0 83 -2,-0.4 286,-2.8 1,-0.3 -1,-0.1 0.700 84.3 58.4 -70.4 -20.8 5.3 19.9 24.1 86 124 A S T 3 S+ 0 0 28 284,-0.2 2,-0.9 -60,-0.1 -1,-0.3 0.379 82.3 105.4 -82.7 3.8 3.7 17.2 22.0 87 125 A L < - 0 0 0 -3,-2.0 2,-0.4 -6,-0.3 -56,-0.2 -0.758 51.9-172.2 -94.9 102.6 6.8 17.1 19.7 88 126 A K E -d 31 0B 0 -58,-2.8 -56,-2.8 -2,-0.9 2,-0.6 -0.776 13.1-146.2 -92.3 136.7 8.9 14.0 20.4 89 127 A I E -d 32 0B 0 -2,-0.4 40,-3.0 -58,-0.2 41,-1.1 -0.919 13.7-161.9-106.9 120.7 12.3 13.7 18.8 90 128 A M E -df 33 130B 0 -58,-3.3 -56,-2.4 -2,-0.6 2,-0.9 -0.820 17.7-133.2-104.9 135.0 13.4 10.1 17.8 91 129 A L E -df 34 131B 0 39,-2.5 41,-2.3 -2,-0.4 2,-0.5 -0.798 26.7-152.1 -88.8 102.3 17.0 9.2 17.1 92 130 A S E - f 0 132B 0 -58,-2.8 -55,-2.6 -2,-0.9 -56,-0.5 -0.713 11.3-166.5 -86.9 124.7 16.7 7.1 13.9 93 131 A I E -df 37 133B 0 39,-2.5 41,-3.3 -2,-0.5 2,-0.6 -0.912 51.1 -7.8-115.0 129.7 19.4 4.5 13.3 94 132 A G E - 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0 0 2 -3,-1.9 -253,-0.2 1,-0.2 6,-0.1 -0.431 55.5-146.9 -63.7 134.8 23.9 15.6 29.1 379 417 A K S S+ 0 0 118 -2,-0.1 2,-0.6 4,-0.0 -311,-0.2 0.547 84.2 84.1 -72.2 -12.2 27.5 16.3 28.3 380 418 A F S > S- 0 0 14 -255,-0.3 4,-2.5 1,-0.1 3,-0.4 -0.879 71.2-153.2-100.0 115.8 26.2 19.5 26.6 381 419 A D H > S+ 0 0 53 -313,-3.0 4,-1.6 -2,-0.6 -312,-0.2 0.885 94.2 51.0 -53.1 -46.8 25.7 22.4 29.1 382 420 A N H 4>S+ 0 0 17 -314,-0.3 5,-3.7 1,-0.2 6,-0.3 0.860 112.3 46.6 -65.5 -31.5 23.0 24.1 27.0 383 421 A I H >45S+ 0 0 0 -3,-0.4 3,-1.6 3,-0.2 -8,-0.3 0.901 110.4 50.8 -77.1 -43.6 20.9 20.9 26.7 384 422 A K H 3<5S+ 0 0 69 -4,-2.5 -9,-0.2 1,-0.3 -1,-0.2 0.789 113.4 48.4 -63.2 -24.7 21.2 20.0 30.4 385 423 A N T ><5S- 0 0 103 -4,-1.6 3,-1.6 -5,-0.3 -1,-0.3 0.338 113.5-123.0 -91.6 6.4 20.0 23.6 31.0 386 424 A S T < 5 - 0 0 22 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.861 62.6 -68.2 54.8 37.6 17.2 23.1 28.6 387 425 A L T 3 < 0 0 37 -5,-3.7 -1,-0.3 1,-0.2 -4,-0.1 0.728 360.0 360.0 55.3 28.0 18.5 26.1 26.6 388 426 A S < 0 0 130 -3,-1.6 -1,-0.2 -6,-0.3 -2,-0.0 -0.789 360.0 360.0 -92.3 360.0 17.6 28.5 29.4