==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-FEB-04 1UWW . COMPND 2 MOLECULE: ENDOGLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AKIBAI; . AUTHOR S.JAMAL,D.NURIZZO,A.BORASTON,G.J.DAVIES . 363 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16116.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 62.0 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 . 135 37.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 . 31 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 9.4 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+4), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 3 3 2 4 2 0 4 0 2 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 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 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 8 A V 0 0 135 0, 0.0 2,-0.6 0, 0.0 32,-0.0 0.000 360.0 360.0 360.0 138.8 1.9 18.2 24.1 2 9 A V - 0 0 128 32,-0.0 2,-0.2 0, 0.0 32,-0.0 -0.900 360.0-171.7-109.3 117.1 3.5 16.4 26.9 3 10 A H - 0 0 51 -2,-0.6 33,-0.2 31,-0.1 3,-0.1 -0.560 34.3 -95.7 -93.1 162.7 7.2 16.4 27.5 4 11 A D S S- 0 0 55 31,-2.5 -1,-0.1 -2,-0.2 15,-0.1 -0.310 71.2 -61.7 -63.1 163.1 9.3 14.4 29.9 5 12 A P - 0 0 79 0, 0.0 15,-2.5 0, 0.0 16,-0.2 -0.241 44.3-140.5 -55.2 135.7 10.0 16.3 33.1 6 13 A K - 0 0 92 13,-0.2 16,-3.0 14,-0.1 17,-0.3 0.885 35.2-178.2 -66.3 -40.6 12.0 19.5 32.6 7 14 A G - 0 0 33 14,-0.2 2,-0.3 13,-0.2 -1,-0.1 -0.185 37.1 -46.8 70.0-166.7 14.2 19.1 35.6 8 15 A E - 0 0 159 13,-0.1 2,-0.3 1,-0.0 15,-0.1 -0.776 64.0 -94.9-104.4 147.2 16.9 21.6 36.7 9 16 A A + 0 0 34 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.452 51.5 170.8 -67.2 119.1 19.5 23.2 34.4 10 17 A V - 0 0 61 11,-1.4 61,-0.0 -2,-0.3 4,-0.0 -1.000 21.2-138.8-133.6 130.2 22.7 21.1 34.6 11 18 A L S S+ 0 0 37 -2,-0.4 169,-0.1 1,-0.1 2,-0.1 -0.995 91.3 48.4-136.2 127.0 25.7 21.5 32.3 12 19 A P S S- 0 0 63 0, 0.0 2,-0.7 0, 0.0 168,-0.2 0.406 93.2-149.8 -59.0 142.0 27.3 19.2 31.2 13 20 A S B +A 179 0A 0 166,-2.4 166,-1.5 1,-0.1 165,-0.7 -0.823 33.0 158.7 -97.4 112.0 23.9 17.8 30.2 14 21 A V - 0 0 50 -2,-0.7 30,-0.2 164,-0.2 -1,-0.1 0.507 39.4-139.5-111.9 -14.2 23.9 14.0 30.2 15 22 A F + 0 0 0 1,-0.1 3,-0.3 2,-0.1 -2,-0.1 0.813 59.0 130.2 61.3 38.0 20.1 13.2 30.6 16 23 A E + 0 0 92 1,-0.2 -1,-0.1 2,-0.1 29,-0.0 0.355 56.1 66.9-104.5 7.0 20.6 10.3 33.0 17 24 A D S S- 0 0 85 2,-0.3 -1,-0.2 0, 0.0 3,-0.1 0.084 114.3-100.1-112.9 18.6 18.1 11.3 35.7 18 25 A G S S+ 0 0 45 -3,-0.3 2,-0.3 1,-0.2 19,-0.1 0.540 92.9 97.9 72.7 9.7 14.9 10.9 33.7 19 26 A T S S- 0 0 21 -15,-0.1 -2,-0.3 -13,-0.1 -1,-0.2 -0.802 83.4-116.5-125.1 168.8 14.7 14.7 33.0 20 27 A R > - 0 0 17 -15,-2.5 3,-2.2 -2,-0.3 -13,-0.2 0.345 46.3-130.9 -80.3 2.6 15.5 17.2 30.3 21 28 A Q T 3 S- 0 0 12 1,-0.3 -11,-1.4 -16,-0.2 -14,-0.2 0.843 73.1 -45.0 45.4 43.4 18.0 18.9 32.7 22 29 A G T 3 S+ 0 0 6 -16,-3.0 48,-0.6 1,-0.3 2,-0.3 0.403 103.4 134.9 88.7 -3.6 16.6 22.3 32.0 23 30 A W E < +B 69 0B 0 -3,-2.2 -1,-0.3 -17,-0.3 2,-0.3 -0.618 22.2 149.7 -80.7 140.7 16.3 22.0 28.2 24 31 A D E -B 68 0B 44 44,-2.1 44,-2.6 -2,-0.3 2,-0.4 -0.879 49.0 -72.8-153.4 176.2 13.2 23.2 26.5 25 32 A W E -B 67 0B 22 -2,-0.3 42,-0.2 42,-0.2 2,-0.1 -0.664 45.2-121.8 -76.9 135.9 11.9 24.7 23.2 26 33 A A > - 0 0 3 40,-2.9 3,-1.9 -2,-0.4 40,-0.2 -0.459 27.4-114.4 -64.3 149.4 12.7 28.3 22.5 27 34 A G T 3 S+ 0 0 58 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.865 118.0 51.9 -55.9 -34.5 9.5 30.4 22.0 28 35 A E T 3 S+ 0 0 147 2,-0.0 -1,-0.3 37,-0.0 -2,-0.0 0.376 80.9 130.8 -84.5 4.9 10.6 31.0 18.4 29 36 A S < - 0 0 11 -3,-1.9 33,-0.1 37,-0.2 34,-0.1 -0.349 52.7-149.0 -60.1 137.8 11.1 27.2 17.6 30 37 A G S S+ 0 0 39 34,-2.4 2,-0.4 31,-0.3 -1,-0.1 0.516 87.1 52.4 -80.7 -7.9 9.4 26.0 14.5 31 38 A V + 0 0 17 33,-0.4 35,-0.4 1,-0.1 -1,-0.1 -0.998 52.0 166.8-130.3 128.6 9.0 22.5 16.1 32 39 A K + 0 0 112 -2,-0.4 3,-0.1 33,-0.1 -7,-0.1 0.060 30.6 141.1-132.3 29.1 7.4 22.1 19.5 33 40 A T - 0 0 50 1,-0.2 -2,-0.1 16,-0.1 17,-0.0 -0.044 66.2 -58.6 -64.7 165.1 6.8 18.3 19.4 34 41 A A - 0 0 39 1,-0.1 2,-0.6 -31,-0.1 15,-0.3 -0.239 47.3-151.9 -53.8 126.6 7.3 16.1 22.5 35 42 A L + 0 0 0 -3,-0.1 -31,-2.5 13,-0.1 2,-0.3 -0.920 30.3 162.9-100.0 113.8 10.8 16.3 24.0 36 43 A T E -G 47 0C 20 11,-2.3 11,-2.7 -2,-0.6 2,-0.6 -0.806 43.2-105.7-128.6 168.4 11.6 13.0 25.7 37 44 A I E +G 46 0C 20 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.885 47.1 168.5 -99.2 122.5 14.5 11.1 27.0 38 45 A E E -G 45 0C 77 7,-2.5 7,-2.4 -2,-0.6 2,-0.2 -0.942 37.4 -97.5-135.1 153.9 15.4 8.1 24.7 39 46 A E E +G 44 0C 121 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.498 42.0 167.2 -74.5 132.0 18.3 5.6 24.4 40 47 A A E > -G 43 0C 1 3,-3.0 3,-0.9 -2,-0.2 -2,-0.0 -0.926 68.1 -14.2-144.2 123.4 20.9 6.4 21.7 41 48 A N T 3 S- 0 0 91 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.813 128.6 -50.0 60.7 32.8 24.3 4.7 21.4 42 49 A G T 3 S+ 0 0 66 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.684 123.5 80.9 78.1 24.0 24.1 3.1 24.9 43 50 A S E < S-G 40 0C 36 -3,-0.9 -3,-3.0 -5,-0.1 2,-0.3 -0.985 83.3-100.0-149.7 159.1 23.2 6.3 26.7 44 51 A N E -G 39 0C 61 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.612 44.4-178.3 -83.6 142.9 20.1 8.3 27.4 45 52 A A E -G 38 0C 0 -7,-2.4 -7,-2.5 -2,-0.3 2,-0.3 -0.945 35.7 -99.7-141.7 152.3 19.6 11.4 25.2 46 53 A L E -GH 37 176C 0 130,-2.5 130,-2.7 -2,-0.3 2,-0.3 -0.629 55.3-177.1 -70.9 132.4 17.2 14.4 24.7 47 54 A S E +GH 36 175C 0 -11,-2.7 -11,-2.3 -2,-0.3 2,-0.3 -0.962 23.9 161.5-143.5 146.7 15.0 13.4 21.7 48 55 A W E - H 0 174C 1 126,-1.5 126,-2.6 -2,-0.3 2,-0.3 -0.962 23.5-137.2-150.2 166.1 12.3 14.6 19.4 49 56 A E E + H 0 173C 105 -15,-0.3 2,-0.3 -2,-0.3 124,-0.2 -0.955 35.1 132.3-128.9 148.7 10.9 13.7 16.0 50 57 A F E - H 0 172C 23 122,-2.1 122,-2.3 -2,-0.3 2,-0.3 -0.970 35.8-134.4-171.5 168.9 9.8 15.9 13.2 51 58 A G E - H 0 171C 39 -2,-0.3 120,-0.2 120,-0.3 119,-0.1 -0.984 25.0-117.1-139.3 144.6 10.1 16.4 9.4 52 59 A Y - 0 0 9 118,-1.8 2,-0.1 -2,-0.3 4,-0.1 -0.413 37.1-107.4 -70.2 150.6 10.8 19.6 7.5 53 60 A P - 0 0 55 0, 0.0 -1,-0.1 0, 0.0 115,-0.1 -0.363 13.3-131.5 -74.9 155.0 8.0 20.8 5.1 54 61 A E S S+ 0 0 167 -2,-0.1 2,-0.7 115,-0.1 -2,-0.0 0.863 96.8 72.4 -72.2 -36.9 8.4 20.5 1.3 55 62 A V S S- 0 0 127 1,-0.0 -1,-0.1 -3,-0.0 0, 0.0 -0.733 83.0-149.4 -80.2 117.1 7.4 24.1 0.9 56 63 A K - 0 0 79 -2,-0.7 4,-0.1 -4,-0.1 -2,-0.1 -0.808 5.1-135.5 -95.1 114.6 10.4 26.2 2.2 57 64 A P - 0 0 55 0, 0.0 6,-0.1 0, 0.0 5,-0.1 -0.334 19.4-123.8 -58.0 148.8 9.7 29.6 3.9 58 65 A S S S+ 0 0 104 1,-0.1 2,-1.0 2,-0.1 -2,-0.0 0.843 101.5 81.1 -68.9 -29.6 12.1 32.3 2.8 59 66 A D S > S- 0 0 63 1,-0.2 3,-1.6 2,-0.1 4,-0.4 -0.686 78.1-156.2 -70.3 103.5 12.9 32.8 6.4 60 67 A N T 3 S+ 0 0 82 -2,-1.0 105,-0.4 1,-0.3 -1,-0.2 0.509 87.1 49.2 -66.0 -9.4 15.4 29.9 6.6 61 68 A W T > S+ 0 0 11 103,-0.1 3,-1.2 1,-0.1 -31,-0.3 0.430 81.6 93.5-106.4 -2.6 14.9 29.5 10.4 62 69 A A T < S+ 0 0 42 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.1 0.865 94.8 36.4 -57.9 -39.1 11.1 29.5 10.5 63 70 A T T 3 S+ 0 0 21 -4,-0.4 -1,-0.3 -6,-0.1 -2,-0.1 0.351 94.1 117.5 -93.4 2.8 10.9 25.7 10.4 64 71 A A < - 0 0 0 -3,-1.2 -34,-2.4 101,-0.1 -33,-0.4 -0.583 67.9-122.9 -80.2 128.5 14.0 25.0 12.5 65 72 A P - 0 0 0 0, 0.0 98,-2.7 0, 0.0 2,-0.4 -0.444 30.7-162.9 -53.0 138.1 13.8 23.2 15.8 66 73 A R E - C 0 162B 24 -35,-0.4 -40,-2.9 96,-0.2 -37,-0.2 -0.919 3.5-161.8-135.9 103.8 15.3 25.6 18.4 67 74 A L E -BC 25 161B 0 94,-2.4 94,-1.6 -2,-0.4 2,-0.3 -0.544 8.3-160.6 -80.2 153.1 16.4 24.3 21.8 68 75 A D E -BC 24 160B 20 -44,-2.6 -44,-2.1 92,-0.2 2,-0.4 -0.998 11.2-172.6-141.3 139.6 16.9 26.7 24.7 69 76 A F E -BC 23 159B 0 90,-2.1 90,-2.3 -2,-0.3 2,-0.5 -0.945 6.8-165.8-139.1 108.1 18.8 26.3 27.9 70 77 A W E + C 0 158B 128 -48,-0.6 2,-0.3 -2,-0.4 88,-0.2 -0.850 20.6 153.4 -98.3 128.6 18.6 28.9 30.7 71 78 A K > - 0 0 64 86,-1.8 3,-0.8 -2,-0.5 86,-0.3 -0.964 40.0-122.9-153.7 135.5 21.1 28.9 33.5 72 79 A S T 3 S+ 0 0 98 -2,-0.3 3,-0.1 1,-0.2 83,-0.0 -0.375 99.1 25.6 -63.4 153.8 22.6 31.5 35.9 73 80 A D T 3 S+ 0 0 119 1,-0.2 2,-0.8 -2,-0.1 -1,-0.2 0.827 79.3 161.7 54.1 35.2 26.4 31.7 35.8 74 81 A L < + 0 0 2 -3,-0.8 82,-2.9 79,-0.0 83,-0.4 -0.803 16.2 153.1 -82.6 111.5 26.5 30.5 32.2 75 82 A V - 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