==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 31-MAY-09 3HNM . COMPND 2 MOLECULE: PUTATIVE CHITOBIASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR A.KUZIN,M.ABASHIDZE,J.SEETHARAMAN,S.SAHDEV,R.XIAO, . 668 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31454.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 373 55.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 214 32.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 52 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 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 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 6 2 3 0 1 4 5 0 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 2 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 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 4 A Y 0 0 239 0, 0.0 2,-0.2 0, 0.0 75,-0.1 0.000 360.0 360.0 360.0 102.1 52.4 25.7 35.2 2 5 A T - 0 0 87 1,-0.1 3,-0.1 73,-0.1 125,-0.0 -0.589 360.0 -97.7-106.1 166.0 49.4 28.0 35.5 3 6 A V - 0 0 123 -2,-0.2 2,-1.5 1,-0.2 3,-0.3 -0.121 66.8 -57.2 -72.4 177.6 46.0 27.7 37.2 4 7 A K S S+ 0 0 164 1,-0.2 -1,-0.2 2,-0.1 0, 0.0 -0.377 74.4 144.3 -62.7 87.9 42.7 26.7 35.5 5 8 A F - 0 0 124 -2,-1.5 -1,-0.2 -3,-0.1 -2,-0.0 0.884 25.0-176.5 -89.8 -52.1 42.5 29.3 32.8 6 9 A Q + 0 0 122 -3,-0.3 -2,-0.1 1,-0.0 -3,-0.0 0.866 16.4 163.0 54.9 45.8 41.0 27.1 30.0 7 10 A P - 0 0 44 0, 0.0 153,-0.0 0, 0.0 -1,-0.0 0.113 43.4 -83.5 -74.4-157.7 41.0 29.7 27.1 8 11 A D - 0 0 140 153,-0.1 153,-0.3 1,-0.0 3,-0.1 -0.947 41.7-103.5-120.6 131.7 40.6 28.7 23.5 9 12 A P - 0 0 34 0, 0.0 151,-0.2 0, 0.0 3,-0.1 -0.038 47.8 -92.2 -45.1 140.6 43.4 27.4 21.1 10 13 A I - 0 0 16 149,-2.8 2,-0.8 1,-0.1 149,-0.3 -0.258 46.5-102.4 -56.1 138.1 44.7 29.9 18.5 11 14 A D > - 0 0 107 1,-0.1 2,-1.0 -3,-0.1 3,-0.7 -0.542 31.3-152.9 -68.9 111.4 42.8 29.5 15.3 12 15 A K T 3 + 0 0 13 -2,-0.8 -1,-0.1 1,-0.2 32,-0.1 -0.070 64.2 107.2 -77.3 36.9 45.3 27.6 13.2 13 16 A K T 3 S+ 0 0 162 -2,-1.0 -1,-0.2 1,-0.2 56,-0.1 0.859 80.2 45.4 -84.6 -35.8 44.0 29.0 9.8 14 17 A G S < S+ 0 0 46 -3,-0.7 -1,-0.2 54,-0.2 -2,-0.1 0.562 100.4 107.4 -79.2 -7.2 47.0 31.3 9.1 15 18 A W + 0 0 14 53,-0.2 53,-0.2 -4,-0.2 2,-0.2 -0.107 42.2 168.4 -66.5 166.8 49.0 28.2 10.1 16 19 A S - 0 0 59 51,-0.1 51,-1.2 3,-0.0 2,-0.8 -0.580 41.9-112.2 176.0 116.1 51.1 26.0 7.8 17 20 A V E +A 66 0A 28 49,-0.2 49,-0.2 1,-0.2 22,-0.1 -0.393 35.2 178.9 -59.7 101.6 53.7 23.3 8.3 18 21 A I E + 0 0 74 47,-2.0 2,-0.3 -2,-0.8 -1,-0.2 0.488 63.0 14.0 -85.3 -7.3 56.7 25.1 6.8 19 22 A D E +A 65 0A 32 46,-0.7 46,-2.8 -3,-0.0 2,-0.3 -0.908 59.1 151.3-171.0 142.2 59.1 22.2 7.6 20 23 A F E -A 64 0A 20 -2,-0.3 44,-0.2 44,-0.2 3,-0.1 -0.950 29.5-146.6-158.4 172.3 59.3 18.5 8.6 21 24 A N S S+ 0 0 49 42,-1.0 2,-0.3 -2,-0.3 43,-0.1 0.404 78.9 42.1-127.8 -2.1 61.5 15.5 8.2 22 25 A N + 0 0 1 41,-0.4 2,-0.3 343,-0.1 -1,-0.2 -0.893 55.3 131.1-157.4 122.6 59.1 12.5 8.0 23 26 A C > - 0 0 0 -2,-0.3 3,-0.6 29,-0.1 29,-0.3 -0.960 55.3-117.1-155.8 164.2 55.8 11.8 6.4 24 27 A C G > S+ 0 0 0 27,-2.0 3,-1.1 12,-0.4 7,-0.2 0.727 106.2 73.4 -79.9 -20.4 54.3 8.9 4.3 25 28 A T G 3 S+ 0 0 36 26,-0.3 -1,-0.2 1,-0.2 7,-0.2 0.656 72.3 84.3 -67.1 -18.5 53.8 11.3 1.3 26 29 A Q G < S+ 0 0 15 -3,-0.6 -1,-0.2 5,-0.1 -2,-0.1 0.880 95.7 45.0 -51.8 -38.5 57.5 11.4 0.6 27 30 A D S < S+ 0 0 18 -3,-1.1 5,-0.1 -4,-0.2 336,-0.1 0.309 111.3 2.9 -84.5-148.8 57.0 8.2 -1.4 28 31 A G >> - 0 0 28 1,-0.2 3,-1.3 2,-0.1 4,-0.5 0.111 64.7-125.9 -35.1 142.6 54.3 7.2 -4.0 29 32 A G H 3> S+ 0 0 4 327,-0.6 4,-1.1 1,-0.2 3,-0.4 0.658 102.3 79.6 -70.5 -12.8 51.9 9.8 -4.9 30 33 A W H 34 S+ 0 0 139 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.776 87.2 56.2 -66.4 -22.9 49.1 7.4 -4.0 31 34 A Y H X4 S+ 0 0 16 -3,-1.3 3,-1.8 1,-0.2 5,-0.5 0.827 98.0 67.4 -71.5 -32.6 49.6 8.2 -0.3 32 35 A L H >< S+ 0 0 52 -4,-0.5 3,-1.5 -3,-0.4 5,-0.2 0.900 94.6 51.9 -52.4 -50.2 49.0 11.8 -1.4 33 36 A N T 3< S+ 0 0 85 -4,-1.1 -1,-0.3 321,-0.3 -2,-0.2 0.421 97.7 73.7 -71.0 4.4 45.4 11.3 -2.2 34 37 A X T < S- 0 0 86 -3,-1.8 -1,-0.3 -4,-0.0 -2,-0.2 0.582 99.4-127.3 -94.7 -11.0 45.0 9.7 1.2 35 38 A G S < S+ 0 0 41 -3,-1.5 14,-0.5 -4,-0.3 -3,-0.1 0.970 70.4 126.1 63.0 53.1 45.2 13.0 3.2 36 39 A W + 0 0 28 -5,-0.5 15,-2.3 -4,-0.2 -12,-0.4 0.247 38.1 119.1-122.4 9.1 47.9 11.7 5.5 37 40 A G S > S- 0 0 1 -5,-0.2 3,-1.4 13,-0.2 15,-0.0 -0.070 81.7 -95.5 -72.0 174.7 50.3 14.5 4.9 38 41 A V G > S+ 0 0 5 1,-0.3 3,-1.6 2,-0.2 4,-0.2 0.888 121.5 63.2 -56.9 -43.5 51.7 17.0 7.4 39 42 A E G > S+ 0 0 112 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.714 87.5 75.0 -56.6 -18.2 49.1 19.6 6.6 40 43 A S G < S+ 0 0 10 -3,-1.4 -1,-0.3 1,-0.2 3,-0.2 0.266 84.3 68.9 -78.3 15.1 46.6 17.1 8.0 41 44 A L G < S+ 0 0 0 -3,-1.6 116,-1.5 1,-0.1 -1,-0.2 0.655 101.8 37.3-107.4 -21.2 47.9 18.0 11.4 42 45 A I S < S+ 0 0 16 -3,-1.1 -1,-0.1 -4,-0.2 -2,-0.1 -0.360 77.8 112.5-126.8 48.8 46.5 21.6 11.7 43 46 A D S S- 0 0 54 2,-0.3 2,-0.8 -3,-0.2 -1,-0.1 -0.092 91.9-100.6-111.5 32.7 43.1 21.3 10.0 44 47 A N S S+ 0 0 98 -32,-0.1 112,-0.0 -3,-0.1 -4,-0.0 -0.067 94.1 70.0 78.1 -35.5 41.0 21.8 13.1 45 48 A N > - 0 0 71 -2,-0.8 3,-0.9 110,-0.1 -2,-0.3 -0.897 65.8-142.5-126.1 152.2 40.1 18.1 13.9 46 49 A P T 3 S+ 0 0 30 0, 0.0 37,-1.5 0, 0.0 40,-0.1 0.392 90.8 89.3 -78.7 2.4 41.7 14.9 15.1 47 50 A G T 3 S+ 0 0 15 35,-0.1 2,-0.3 38,-0.1 109,-0.1 0.820 84.8 54.6 -67.5 -32.1 39.5 13.1 12.6 48 51 A T S < S- 0 0 43 -3,-0.9 2,-0.2 107,-0.1 -5,-0.1 -0.779 81.8-163.4 -99.4 148.2 42.2 13.6 9.9 49 52 A Q - 0 0 3 -14,-0.5 2,-0.4 -2,-0.3 106,-0.2 -0.620 19.1-124.4-126.7-177.0 45.6 12.2 10.7 50 53 A W E -G 154 0B 0 104,-1.4 104,-1.6 -2,-0.2 2,-0.4 -0.988 22.8-154.9-128.7 137.4 49.3 12.3 9.7 51 54 A L E -G 153 0B 1 -15,-2.3 -27,-2.0 -2,-0.4 -26,-0.3 -0.946 11.3-131.5-121.0 136.9 51.3 9.2 8.9 52 55 A C - 0 0 1 100,-1.8 2,-0.3 -2,-0.4 -29,-0.1 -0.076 55.0 -63.1 -68.9 178.8 55.1 8.7 9.2 53 56 A R - 0 0 26 1,-0.2 5,-0.4 -30,-0.1 -29,-0.2 -0.525 57.5-179.4 -67.3 129.3 57.1 7.3 6.3 54 57 A W + 0 0 47 -2,-0.3 3,-0.2 -30,-0.2 -1,-0.2 0.768 68.6 59.8-105.3 -29.9 55.7 3.8 5.8 55 58 A D S S+ 0 0 91 1,-0.3 2,-0.4 -31,-0.2 -1,-0.1 0.766 120.9 26.2 -71.5 -23.6 57.6 2.2 3.0 56 59 A V S S- 0 0 67 2,-0.0 2,-0.7 0, 0.0 -1,-0.3 -0.909 85.3-130.8-142.1 110.5 60.8 2.6 5.0 57 60 A K - 0 0 104 -2,-0.4 -3,-0.1 -3,-0.2 94,-0.1 -0.469 29.4-153.0 -64.1 108.4 60.7 2.8 8.8 58 61 A E - 0 0 59 -2,-0.7 2,-0.1 -5,-0.4 -1,-0.0 -0.635 16.1-112.6 -85.6 140.0 62.8 6.0 9.5 59 62 A P - 0 0 96 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.419 52.1 -69.4 -72.1 144.2 64.7 6.3 12.8 60 63 A L S S+ 0 0 43 -2,-0.1 81,-0.1 81,-0.1 2,-0.1 -0.164 86.6 75.2 -63.7 164.3 63.5 9.0 15.3 61 64 A P - 0 0 66 0, 0.0 2,-0.4 0, 0.0 80,-0.2 0.478 49.8-175.1 -90.5 154.8 63.3 11.9 15.9 62 65 A Y E - B 0 140A 2 78,-1.4 78,-3.2 -2,-0.1 2,-0.3 -0.879 11.1-178.0-106.8 135.4 60.5 13.3 13.8 63 66 A Y E - B 0 139A 64 -2,-0.4 -42,-1.0 76,-0.2 -41,-0.4 -0.917 14.7-163.4-137.2 162.6 60.0 17.1 13.9 64 67 A F E -AB 20 138A 0 74,-2.2 74,-1.7 -2,-0.3 2,-0.5 -0.990 10.9-149.5-144.1 148.4 57.7 19.7 12.4 65 68 A V E -AB 19 137A 0 -46,-2.8 -47,-2.0 -2,-0.3 -46,-0.7 -0.878 17.2-161.8-124.9 98.3 57.9 23.5 12.2 66 69 A F E -AB 17 136A 0 70,-1.4 70,-2.2 -2,-0.5 2,-0.8 -0.613 7.8-150.7 -82.4 134.3 54.5 25.2 12.3 67 70 A D E - B 0 135A 17 -51,-1.2 68,-0.2 -2,-0.3 -51,-0.1 -0.845 7.0-169.5-105.8 99.8 54.2 28.7 11.0 68 71 A X E - 0 0 1 66,-1.9 2,-1.3 -2,-0.8 -54,-0.2 0.498 35.2-128.7 -66.4 -2.6 51.4 30.4 12.9 69 72 A G E S+ 0 0 33 65,-0.2 2,-0.2 -53,-0.1 -1,-0.2 -0.396 79.7 33.6 89.6 -59.4 51.6 33.4 10.5 70 73 A K E S- 0 0 101 -2,-1.3 2,-0.3 64,-0.1 -2,-0.1 -0.496 96.5 -78.0-117.7-172.6 51.8 36.1 13.1 71 74 A E E + 0 0 59 -2,-0.2 93,-1.4 94,-0.1 2,-0.3 -0.658 47.8 168.1 -92.7 148.4 53.4 36.5 16.6 72 75 A Y E -CB 163 133A 15 61,-2.8 61,-2.9 -2,-0.3 2,-0.5 -0.875 37.9-121.3-145.3 176.5 51.9 35.2 19.8 73 76 A T E -CB 162 132A 27 89,-1.9 89,-1.3 -2,-0.3 59,-0.3 -0.796 36.0-142.3-126.5 87.9 52.8 34.6 23.4 74 77 A L E +CB 161 131A 2 57,-1.4 57,-1.3 -2,-0.5 87,-0.3 -0.239 29.0 170.3 -57.1 128.5 52.3 30.8 24.0 75 78 A F E S+ 0 0 46 85,-1.1 53,-1.8 1,-0.4 2,-0.3 0.770 70.3 4.4-102.2 -43.1 50.8 29.8 27.4 76 79 A R E - B 0 127A 29 84,-0.4 84,-1.7 51,-0.2 -1,-0.4 -0.862 57.9-169.2-137.2 171.8 50.3 26.1 26.5 77 80 A F E +CB 159 126A 2 49,-1.5 49,-2.6 -2,-0.3 2,-0.3 -0.963 18.8 143.9-159.6 147.1 50.8 23.6 23.8 78 81 A G E -CB 158 125A 0 80,-2.2 80,-2.4 -2,-0.3 47,-0.3 -0.977 26.0-139.2-171.1 179.7 49.6 20.0 23.2 79 82 A F E -CB 157 124A 0 45,-1.9 45,-2.4 -2,-0.3 2,-0.3 -0.869 11.5-132.4-145.1 177.3 48.5 17.4 20.6 80 83 A A E -C 156 0A 2 76,-2.8 76,-1.2 -2,-0.3 75,-0.5 -0.906 21.6-125.6-144.2 114.2 46.0 14.7 20.1 81 84 A N - 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