==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 04-JAN-09 2KD7 . COMPND 2 MOLECULE: PUTATIVE CHITOBIASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON VPI-5482; . AUTHOR A.ELETSKY,J.L.MILLS,H.LEE,D.LEE,M.JIANG,C.CICCOSANTI,R.XIAO, . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8185.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 34.6 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 . 1 0.6 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 . 33 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 0 1 1 0 1 0 0 1 0 0 1 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 0 0 1 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 1 A M > 0 0 180 0, 0.0 3,-0.8 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 136.2 1.4 15.3 -8.3 2 2 A G T 3 - 0 0 74 1,-0.2 4,-0.2 144,-0.0 0, 0.0 -0.804 360.0 -5.7 89.1-125.0 4.6 17.3 -7.6 3 3 A T T 3 S+ 0 0 109 -2,-0.6 144,-1.2 2,-0.1 2,-0.4 0.806 125.5 80.7 -74.3 -29.8 6.9 15.5 -5.2 4 4 A T B < S-A 146 0A 35 -3,-0.8 142,-0.2 142,-0.2 2,-0.2 -0.642 97.3-110.4 -76.4 130.0 4.2 12.9 -4.8 5 5 A I - 0 0 9 140,-3.1 2,-0.4 -2,-0.4 140,-0.3 -0.422 31.7-111.2 -67.2 129.2 4.3 10.4 -7.6 6 6 A S > - 0 0 60 -2,-0.2 3,-0.7 -4,-0.2 -1,-0.1 -0.481 24.4-161.5 -63.1 116.5 1.3 10.7 -9.9 7 7 A K G > + 0 0 18 -2,-0.4 3,-1.2 1,-0.2 -1,-0.2 0.243 62.6 108.1 -86.6 15.7 -0.8 7.6 -9.3 8 8 A S G 3 S+ 0 0 115 1,-0.3 -1,-0.2 28,-0.0 -2,-0.0 0.839 86.3 34.2 -62.5 -35.2 -2.6 8.2 -12.6 9 9 A G G < S+ 0 0 44 -3,-0.7 -1,-0.3 52,-0.1 2,-0.2 0.203 92.2 120.5-107.4 15.9 -0.8 5.3 -14.4 10 10 A W < - 0 0 21 -3,-1.2 2,-0.3 24,-0.2 51,-0.2 -0.580 37.3-178.0 -84.1 142.0 -0.5 3.0 -11.4 11 11 A E E -B 60 0A 93 49,-1.7 49,-3.0 -2,-0.2 2,-0.6 -0.958 28.7-114.0-136.7 157.4 -2.1 -0.5 -11.5 12 12 A V E -B 59 0A 32 -2,-0.3 47,-0.2 47,-0.2 3,-0.1 -0.806 23.1-176.8 -94.2 122.4 -2.3 -3.4 -9.1 13 13 A L E S- 0 0 70 45,-2.8 2,-0.3 -2,-0.6 -1,-0.2 0.864 71.6 -1.9 -84.8 -40.0 -0.5 -6.5 -10.1 14 14 A S E -B 58 0A 69 44,-1.2 44,-3.1 0, 0.0 -1,-0.3 -0.989 60.1-176.3-154.6 142.1 -1.6 -8.7 -7.3 15 15 A F E -B 57 0A 98 -2,-0.3 42,-0.2 42,-0.2 3,-0.1 -0.992 18.6-154.6-140.0 145.6 -3.7 -8.4 -4.1 16 16 A T S S+ 0 0 49 40,-0.6 2,-0.3 -2,-0.3 -1,-0.1 0.818 80.2 9.0 -88.2 -33.9 -4.5 -10.8 -1.3 17 17 A T + 0 0 2 39,-0.1 -1,-0.3 34,-0.1 2,-0.3 -0.991 57.5 161.9-148.9 151.2 -7.8 -9.3 -0.2 18 18 A Q - 0 0 50 -2,-0.3 2,-0.8 -3,-0.1 26,-0.2 -0.899 30.3-133.3-167.8 142.7 -10.3 -6.7 -1.3 19 19 A E + 0 0 0 9,-1.6 4,-0.3 24,-1.5 8,-0.1 -0.807 38.2 150.9-109.8 94.2 -13.9 -6.1 -0.4 20 20 A A S S+ 0 0 42 -2,-0.8 -1,-0.1 2,-0.1 6,-0.1 0.273 79.1 41.5-101.6 8.0 -16.0 -5.5 -3.5 21 21 A S S > S+ 0 0 63 7,-0.1 3,-1.3 4,-0.1 -2,-0.1 0.692 110.8 48.5-120.0 -46.3 -19.2 -6.9 -2.0 22 22 A G T 3 S+ 0 0 17 1,-0.3 -2,-0.1 25,-0.1 3,-0.1 0.801 114.5 48.0 -69.2 -29.2 -19.3 -5.6 1.6 23 23 A E T 3 S- 0 0 46 -4,-0.3 2,-1.0 4,-0.3 -1,-0.3 0.188 115.3-120.2 -95.4 16.0 -18.6 -2.0 0.4 24 24 A G < - 0 0 48 -3,-1.3 2,-0.3 2,-0.1 -1,-0.2 -0.728 61.8 -39.4 88.0-100.7 -21.2 -2.3 -2.2 25 25 A A S S+ 0 0 91 -2,-1.0 3,-0.1 -3,-0.1 -4,-0.1 -0.852 122.4 24.3-166.2 128.1 -19.5 -1.8 -5.6 26 26 A G S S+ 0 0 52 1,-0.3 2,-0.3 -2,-0.3 -2,-0.1 0.498 106.7 82.5 93.8 5.4 -16.8 0.5 -6.7 27 27 A N S S+ 0 0 37 -8,-0.1 -1,-0.3 13,-0.1 -4,-0.3 -0.976 76.0 34.7-140.2 150.9 -15.4 0.9 -3.1 28 28 A G B S+c 42 0A 0 13,-2.2 -9,-1.6 -2,-0.3 15,-1.2 0.519 81.3 145.2 83.0 6.6 -13.1 -1.2 -1.0 29 29 A L >> - 0 0 34 12,-0.4 3,-0.8 -11,-0.2 4,-0.6 -0.485 58.5-128.5 -80.2 148.6 -11.1 -2.1 -4.0 30 30 A A T 34 S+ 0 0 4 1,-0.3 3,-0.5 2,-0.2 4,-0.3 0.769 109.7 57.6 -68.3 -25.7 -7.4 -2.6 -3.8 31 31 A K T >4 S+ 0 0 121 1,-0.2 3,-1.1 2,-0.2 -1,-0.3 0.751 92.2 68.6 -76.4 -23.2 -6.9 -0.2 -6.7 32 32 A C G X> S+ 0 0 6 -3,-0.8 4,-0.9 1,-0.3 3,-0.8 0.810 88.6 66.9 -63.1 -27.7 -8.7 2.5 -4.8 33 33 A L G 3< S+ 0 0 0 -4,-0.6 110,-3.3 -3,-0.5 -1,-0.3 0.810 113.8 29.1 -61.3 -30.9 -5.7 2.5 -2.5 34 34 A I G <4 S+ 0 0 4 -3,-1.1 -1,-0.3 -4,-0.3 -24,-0.2 0.209 97.9 89.5-115.2 13.1 -3.6 3.9 -5.4 35 35 A D T <4 S- 0 0 93 -3,-0.8 -2,-0.2 -4,-0.2 -3,-0.1 0.833 90.8-131.4 -77.3 -33.0 -6.5 5.7 -7.2 36 36 A G < + 0 0 34 -4,-0.9 2,-0.3 1,-0.2 106,-0.1 0.955 58.4 126.0 84.2 55.1 -5.7 8.8 -5.2 37 37 A D > - 0 0 61 -5,-0.5 3,-1.1 104,-0.2 -1,-0.2 -0.969 52.0-148.1-146.5 129.6 -9.0 10.0 -3.8 38 38 A T T 3 S+ 0 0 60 -2,-0.3 -1,-0.1 1,-0.3 104,-0.1 0.700 99.6 57.5 -70.2 -19.8 -9.9 10.6 -0.1 39 39 A E T 3 S+ 0 0 142 102,-0.0 2,-0.3 2,-0.0 -1,-0.3 0.609 101.6 65.3 -88.5 -13.3 -13.5 9.5 -0.6 40 40 A T < + 0 0 31 -3,-1.1 2,-0.3 -8,-0.1 -3,-0.2 -0.800 64.7 172.8-105.4 151.7 -12.5 6.1 -1.9 41 41 A F - 0 0 18 -2,-0.3 -13,-2.2 -6,-0.0 2,-0.4 -0.981 31.1-115.5-151.9 162.4 -10.7 3.5 0.2 42 42 A W E -cD 28 140A 0 98,-3.3 98,-2.1 -2,-0.3 2,-0.4 -0.848 30.9-171.3 -98.8 137.6 -9.5 -0.1 0.2 43 43 A H E - D 0 139A 19 -15,-1.2 -24,-1.5 -2,-0.4 96,-0.2 -0.989 23.8-117.4-131.7 139.2 -11.1 -2.5 2.7 44 44 A A - 0 0 0 94,-2.1 2,-0.1 -2,-0.4 94,-0.1 -0.392 49.8 -84.8 -68.1 151.5 -10.1 -6.1 3.6 45 45 A K + 0 0 46 1,-0.2 6,-0.3 -2,-0.1 -1,-0.1 -0.370 65.5 143.9 -61.9 129.3 -12.7 -8.8 2.8 46 46 A W > + 0 0 115 4,-0.1 2,-1.0 1,-0.1 3,-1.0 0.536 42.9 88.3-134.7 -33.0 -15.2 -9.1 5.6 47 47 A Q T 3 S+ 0 0 82 1,-0.3 -25,-0.1 2,-0.1 -1,-0.1 -0.612 112.9 3.1 -81.3 102.6 -18.6 -9.8 4.0 48 48 A G T 3 S- 0 0 90 -2,-1.0 -1,-0.3 -3,-0.1 2,-0.1 0.240 137.5 -47.9 103.6 -11.6 -18.7 -13.6 3.8 49 49 A G < - 0 0 39 -3,-1.0 -2,-0.1 2,-0.0 2,-0.1 -0.254 60.6 -94.1 126.5 149.4 -15.4 -13.9 5.5 50 50 A S - 0 0 49 -4,-0.2 -4,-0.1 -2,-0.1 87,-0.1 -0.290 37.6-109.4 -86.2 173.4 -11.8 -12.5 5.4 51 51 A D - 0 0 58 -6,-0.3 2,-0.4 85,-0.2 -1,-0.1 -0.541 44.3 -80.7 -98.2 166.5 -8.8 -13.9 3.6 52 52 A P - 0 0 104 0, 0.0 -1,-0.1 0, 0.0 78,-0.0 -0.559 64.6 -92.9 -71.9 122.8 -5.7 -15.5 5.1 53 53 A L S S+ 0 0 42 -2,-0.4 2,-0.1 2,-0.1 83,-0.0 -0.386 93.1 64.8 -68.0 154.5 -3.1 -13.1 6.5 54 54 A P - 0 0 48 0, 0.0 2,-0.6 0, 0.0 82,-0.0 0.549 69.8-150.4 -81.2 167.2 -0.8 -11.7 5.7 55 55 A Y E - E 0 128A 0 73,-2.4 73,-3.4 -2,-0.1 2,-0.5 -0.900 12.3-170.7-105.0 119.4 -2.2 -9.4 3.0 56 56 A D E - E 0 127A 35 -2,-0.6 -40,-0.6 71,-0.2 2,-0.5 -0.936 4.8-173.1-113.2 125.5 0.2 -8.4 0.2 57 57 A I E -BE 15 126A 0 69,-2.7 69,-3.0 -2,-0.5 2,-0.6 -0.969 7.3-162.5-118.6 117.8 -0.7 -5.8 -2.4 58 58 A V E -BE 14 125A 16 -44,-3.1 -45,-2.8 -2,-0.5 -44,-1.2 -0.881 6.5-169.6-106.2 122.3 1.7 -5.3 -5.3 59 59 A I E -BE 12 124A 2 65,-3.4 65,-2.4 -2,-0.6 2,-0.6 -0.882 14.2-145.9-112.4 139.4 1.6 -2.1 -7.3 60 60 A D E -BE 11 123A 3 -49,-3.0 -49,-1.7 -2,-0.4 63,-0.2 -0.925 6.8-169.5-103.3 121.2 3.3 -1.3 -10.6 61 61 A M E - 0 0 0 61,-2.4 62,-0.1 -2,-0.6 -52,-0.1 0.460 34.4-131.4 -88.3 -3.1 4.3 2.3 -10.9 62 62 A K E S+ 0 0 88 60,-0.3 2,-0.3 -51,-0.1 61,-0.1 0.604 81.6 58.0 65.6 13.4 5.2 1.7 -14.6 63 63 A Q E S- 0 0 66 59,-0.4 2,-0.5 58,-0.1 -2,-0.2 -0.975 92.0 -98.4-165.3 153.8 8.5 3.5 -14.1 64 64 A N E -F 150 0A 19 86,-0.6 86,-3.0 -2,-0.3 2,-0.4 -0.712 44.2-177.6 -82.7 123.8 11.6 3.2 -11.9 65 65 A I E -FE 149 121A 0 56,-3.1 56,-2.2 -2,-0.5 2,-1.1 -0.969 31.5-125.1-126.4 139.1 11.4 5.6 -9.0 66 66 A Q E -FE 148 120A 65 82,-2.9 82,-1.4 -2,-0.4 54,-0.3 -0.735 36.1-140.8 -82.1 101.5 13.9 6.3 -6.3 67 67 A I E +FE 147 119A 0 52,-2.9 52,-1.0 -2,-1.1 80,-0.2 -0.426 41.3 149.7 -70.5 134.1 11.9 5.7 -3.2 68 68 A A E + 0 0 43 78,-1.7 48,-2.2 1,-0.4 2,-0.3 0.567 66.2 10.6-127.7 -42.6 12.4 8.0 -0.3 69 69 A Q E -FE 146 115A 18 77,-2.0 77,-3.4 46,-0.2 2,-0.4 -0.998 56.0-154.0-148.0 138.7 9.1 8.2 1.6 70 70 A V E -FE 145 114A 0 44,-2.9 44,-3.5 -2,-0.3 2,-0.4 -0.876 13.0-152.9-109.9 143.9 5.8 6.4 1.6 71 71 A E E -FE 144 113A 44 73,-3.6 73,-3.0 -2,-0.4 2,-0.5 -0.970 4.9-164.7-120.8 133.7 2.5 8.0 2.7 72 72 A L E -FE 143 112A 0 40,-2.1 40,-3.4 -2,-0.4 71,-0.2 -0.970 4.7-160.1-117.3 121.4 -0.5 6.2 4.1 73 73 A L E -F 142 0A 20 69,-3.3 68,-1.7 -2,-0.5 69,-1.4 -0.858 18.1-173.9-102.4 101.3 -3.8 7.9 4.3 74 74 A P E -F 140 0A 0 0, 0.0 66,-0.2 0, 0.0 3,-0.1 -0.136 25.9-128.1 -80.8-177.7 -6.0 6.2 6.8 75 75 A R + 0 0 62 64,-0.7 2,-2.9 1,-0.1 65,-0.1 0.873 38.9 157.3 -96.1 -66.0 -9.6 6.8 7.6 76 76 A G > + 0 0 20 63,-0.2 3,-2.2 1,-0.1 2,-0.8 -0.329 45.0 104.1 73.9 -60.1 -9.8 7.3 11.4 77 77 A R T 3 S- 0 0 177 -2,-2.9 -1,-0.1 1,-0.3 3,-0.1 -0.368 111.4 -18.8 -60.5 98.2 -13.0 9.2 11.1 78 78 A G T 3 S+ 0 0 87 -2,-0.8 2,-0.4 1,-0.3 -1,-0.3 0.652 116.7 116.8 76.6 15.4 -15.6 6.7 12.1 79 79 A S < - 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