==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-JUN-02 1H0B . COMPND 2 MOLECULE: CELLULASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOTHERMUS MARINUS; . AUTHOR S.J.CRENNELL,G.O.HREGGVIDSSON,E.NORDBERG-KARLSSON . 452 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17857.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 333 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 196 43.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 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 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 46 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 2 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 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 . 4 8 4 4 4 0 6 0 4 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 0 2 0 0 0 0 0 0 2 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 2 A T 0 0 128 0, 0.0 2,-0.4 0, 0.0 35,-0.2 0.000 360.0 360.0 360.0 163.4 14.9 9.3 0.1 2 3 A V E -A 35 0A 21 33,-1.8 33,-3.1 2,-0.0 2,-0.5 -0.992 360.0-136.4-136.5 139.9 17.5 11.0 2.3 3 4 A E E -A 34 0A 99 -2,-0.4 2,-0.5 31,-0.2 31,-0.2 -0.885 17.2-161.8-100.2 124.6 20.1 9.5 4.5 4 5 A L E +A 33 0A 2 29,-3.0 29,-1.9 -2,-0.5 295,-0.1 -0.935 23.2 158.9-107.6 124.9 20.6 11.2 7.9 5 6 A a + 0 0 59 -2,-0.5 26,-0.5 27,-0.2 -1,-0.1 0.445 36.5 114.0-122.3 -6.3 23.8 10.5 9.8 6 7 A G S > S- 0 0 28 1,-0.1 3,-1.3 291,-0.1 18,-0.2 -0.389 73.2-120.9 -68.1 146.8 23.9 13.5 12.2 7 8 A R T 3 S+ 0 0 115 1,-0.3 17,-2.4 16,-0.1 -1,-0.1 0.860 112.8 22.5 -55.0 -41.5 23.6 12.6 15.9 8 9 A W T 3 S+ 0 0 78 15,-0.2 -1,-0.3 331,-0.2 333,-0.2 0.007 93.4 147.4-115.8 25.5 20.5 14.8 16.4 9 10 A D < + 0 0 9 -3,-1.3 13,-2.7 287,-0.1 14,-0.6 -0.225 18.8 170.0 -63.1 151.8 19.4 14.8 12.7 10 11 A A E -F 21 0B 1 285,-1.0 2,-0.3 11,-0.2 287,-0.3 -0.977 21.8-160.2-158.3 164.1 15.7 15.0 11.8 11 12 A R E -F 20 0B 3 9,-1.9 9,-2.6 -2,-0.3 2,-0.3 -0.965 22.1-128.9-152.0 133.3 13.2 15.5 9.0 12 13 A D E -F 19 0B 60 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.655 38.5-175.0 -79.2 140.7 9.6 16.5 9.1 13 14 A V E > > +F 18 0B 2 5,-2.6 5,-1.6 -2,-0.3 3,-1.1 -0.845 48.3 34.4-134.1 171.3 7.6 14.0 7.0 14 15 A A G > 5S- 0 0 36 23,-1.6 3,-1.6 1,-0.3 -1,-0.2 0.905 134.7 -48.7 49.8 49.9 4.0 13.4 5.7 15 16 A G G 3 5S- 0 0 70 22,-0.3 -1,-0.3 1,-0.3 220,-0.1 0.702 108.3 -56.2 66.8 20.2 3.4 17.1 5.2 16 17 A G G < 5S+ 0 0 5 -3,-1.1 56,-2.6 2,-0.2 -1,-0.3 0.407 110.6 117.4 92.3 -0.7 4.7 17.8 8.7 17 18 A R T < 5S+ 0 0 89 -3,-1.6 47,-0.3 -4,-0.4 2,-0.3 0.840 82.2 22.2 -67.6 -33.5 2.3 15.5 10.5 18 19 A Y E < -F 13 0B 14 -5,-1.6 -5,-2.6 45,-0.1 2,-0.4 -0.818 69.1-147.6-128.1 168.8 5.2 13.4 11.8 19 20 A R E -FG 12 62B 18 43,-1.7 43,-2.5 -2,-0.3 2,-0.4 -0.998 6.1-149.0-142.6 133.9 8.9 13.8 12.4 20 21 A V E -FG 11 61B 0 -9,-2.6 -9,-1.9 -2,-0.4 2,-0.4 -0.900 15.6-169.1-104.2 133.4 11.7 11.3 12.1 21 22 A I E -FG 10 60B 16 39,-2.9 39,-2.1 -2,-0.4 -11,-0.2 -0.978 25.8-152.3-127.4 135.1 14.8 11.7 14.4 22 23 A N - 0 0 0 -13,-2.7 36,-0.3 -2,-0.4 -1,-0.1 0.901 33.8-178.0 -67.0 -43.6 18.1 9.9 14.2 23 24 A N + 0 0 14 -14,-0.6 35,-2.3 1,-0.2 2,-1.8 0.844 15.7 175.5 49.1 57.6 18.3 10.4 18.0 24 25 A V + 0 0 4 -17,-2.4 3,-0.4 33,-0.2 33,-0.2 -0.553 21.4 152.2 -89.3 72.3 21.7 8.9 18.9 25 26 A W + 0 0 118 -2,-1.8 32,-0.2 1,-0.2 -1,-0.2 0.732 60.5 41.7 -77.0 -28.0 21.3 10.1 22.5 26 27 A G S S+ 0 0 27 30,-2.1 2,-0.3 -3,-0.2 31,-0.2 0.321 112.9 29.5-108.6 11.1 23.3 7.5 24.5 27 28 A A - 0 0 12 29,-0.7 22,-0.0 -3,-0.4 24,-0.0 -0.953 58.4-132.0-157.2 172.5 26.5 7.0 22.5 28 29 A E + 0 0 190 -2,-0.3 2,-0.1 2,-0.1 -21,-0.0 0.356 68.2 117.8-110.3 -0.3 29.0 8.5 20.1 29 30 A T S S- 0 0 49 1,-0.1 20,-0.1 27,-0.0 -2,-0.1 -0.363 73.3 -92.6 -70.4 148.2 29.1 5.6 17.6 30 31 A A + 0 0 36 18,-0.1 18,-2.7 17,-0.1 2,-0.3 -0.267 46.0 169.8 -66.8 145.4 27.9 6.2 14.1 31 32 A Q E - B 0 47A 3 -26,-0.5 2,-0.3 16,-0.2 16,-0.2 -0.959 8.1-177.4-156.4 134.9 24.3 5.7 12.9 32 33 A a E - B 0 46A 8 14,-2.2 14,-1.7 -2,-0.3 13,-1.4 -0.980 5.0-166.8-134.3 145.4 22.5 6.5 9.7 33 34 A I E -AB 4 44A 0 -29,-1.9 -29,-3.0 -2,-0.3 2,-0.6 -0.978 16.6-139.5-130.7 142.3 18.8 6.1 8.7 34 35 A E E -AB 3 43A 78 9,-2.6 9,-1.7 -2,-0.4 2,-0.4 -0.936 27.3-159.9-104.7 117.4 17.4 6.4 5.2 35 36 A V E -AB 2 42A 0 -33,-3.1 -33,-1.8 -2,-0.6 2,-0.7 -0.816 19.8-142.6-109.2 136.9 14.1 8.2 5.2 36 37 A G > - 0 0 11 5,-2.8 4,-2.6 -2,-0.4 5,-0.2 -0.846 19.6-150.5 -90.1 119.7 11.2 8.3 2.8 37 38 A L T 4 S+ 0 0 58 -2,-0.7 -23,-1.6 1,-0.2 -22,-0.3 0.774 87.6 48.3 -65.9 -30.1 9.9 11.9 3.0 38 39 A E T 4 S+ 0 0 157 -25,-0.2 -1,-0.2 -24,-0.1 -25,-0.1 0.830 128.1 21.2 -81.2 -31.3 6.2 11.4 2.2 39 40 A T T 4 S- 0 0 66 2,-0.1 180,-0.2 -3,-0.1 -2,-0.2 0.710 91.8-127.5-106.5 -29.9 5.6 8.4 4.6 40 41 A G < + 0 0 1 -4,-2.6 -3,-0.1 1,-0.3 176,-0.1 0.436 53.9 154.7 90.7 -0.8 8.4 8.7 7.2 41 42 A N - 0 0 25 -5,-0.2 -5,-2.8 -6,-0.1 2,-0.3 -0.375 20.7-177.4 -59.7 136.4 9.3 5.1 6.5 42 43 A F E -BC 35 216A 0 174,-2.1 174,-3.0 -7,-0.2 2,-0.4 -0.994 25.5-155.7-145.6 148.7 12.9 4.5 7.4 43 44 A T E -BC 34 215A 34 -9,-1.7 -9,-2.6 -2,-0.3 2,-0.9 -0.956 28.0-123.6-118.3 138.3 15.6 1.8 7.4 44 45 A I E +B 33 0A 1 170,-2.5 169,-3.0 -2,-0.4 -11,-0.3 -0.755 33.3 177.0 -80.8 107.7 18.7 1.9 9.7 45 46 A T E + 0 0 53 -13,-1.4 2,-0.3 -2,-0.9 -12,-0.2 0.687 65.4 19.7 -86.8 -21.7 21.5 1.7 7.1 46 47 A R E +B 32 0A 121 -14,-1.7 -14,-2.2 -3,-0.1 -1,-0.3 -0.977 56.9 162.3-150.8 135.8 24.4 2.0 9.5 47 48 A A E +B 31 0A 13 -2,-0.3 165,-0.4 -16,-0.2 -16,-0.2 -0.717 6.8 176.0-157.2 98.2 24.6 1.3 13.3 48 49 A D + 0 0 78 -18,-2.7 -18,-0.1 -2,-0.2 -17,-0.1 0.242 35.2 144.7 -88.1 12.2 28.1 0.8 14.8 49 50 A H + 0 0 5 -19,-0.3 161,-2.1 161,-0.2 159,-0.1 -0.202 18.9 156.7 -60.5 141.4 26.7 0.6 18.3 50 51 A D B +H 209 0B 120 159,-0.2 159,-0.2 157,-0.1 -1,-0.1 -0.537 18.0 152.9-161.2 71.0 28.2 -1.7 21.0 51 52 A N > - 0 0 45 157,-2.8 3,-1.7 1,-0.3 2,-0.2 0.155 39.2-141.3 -98.8 15.0 27.0 -0.0 24.1 52 53 A G T 3 S- 0 0 35 1,-0.2 -1,-0.3 156,-0.2 4,-0.1 -0.398 73.5 -13.4 65.6-129.3 26.9 -2.9 26.6 53 54 A N T 3 S+ 0 0 135 -2,-0.2 2,-0.4 2,-0.1 -1,-0.2 0.431 120.3 85.7 -88.5 -0.8 23.9 -2.7 29.0 54 55 A N S < S- 0 0 95 -3,-1.7 2,-0.2 154,-0.1 -3,-0.1 -0.824 84.7-109.8-106.2 141.9 23.1 0.9 28.1 55 56 A V - 0 0 18 -2,-0.4 153,-0.2 1,-0.1 3,-0.1 -0.467 25.4-168.6 -67.6 133.3 20.9 2.1 25.2 56 57 A A - 0 0 0 151,-3.4 -30,-2.1 1,-0.3 -29,-0.7 0.808 61.6 -14.3 -91.8 -36.4 22.9 3.8 22.5 57 58 A A B -I 207 0B 0 150,-1.1 150,-2.7 -32,-0.2 -1,-0.3 -0.982 40.6-148.5-161.5 167.6 20.1 5.4 20.4 58 59 A Y - 0 0 4 -35,-2.3 148,-0.2 -2,-0.3 2,-0.1 -0.574 17.4-167.4-144.3 70.4 16.4 5.4 19.6 59 60 A P + 0 0 0 0, 0.0 146,-1.8 0, 0.0 2,-0.3 -0.477 32.7 157.6 -60.0 131.6 15.9 6.3 15.9 60 61 A A E -GJ 21 204B 0 -39,-2.1 -39,-2.9 144,-0.2 2,-0.4 -0.961 46.4-130.3-154.8 169.3 12.2 7.0 15.8 61 62 A I E -GJ 20 203B 1 142,-2.4 142,-2.1 -2,-0.3 2,-0.3 -0.960 36.2-172.5-122.8 137.5 9.2 8.7 14.2 62 63 A Y E -GJ 19 202B 1 -43,-2.5 -43,-1.7 -2,-0.4 2,-0.4 -0.942 26.8-152.0-139.0 164.4 6.8 10.7 16.4 63 64 A F E S+ J 0 201B 2 138,-2.1 138,-2.4 -2,-0.3 2,-0.3 -0.996 72.0 10.0-128.7 126.9 3.6 12.6 16.6 64 65 A G E S- J 0 200B 0 -2,-0.4 7,-1.8 -47,-0.3 2,-0.6 -0.799 107.9 -17.9 109.9-147.6 3.3 15.5 19.1 65 66 A b E -R 70 0C 4 134,-3.0 2,-0.7 -2,-0.3 5,-0.3 -0.902 46.1-173.9-114.4 112.9 6.0 17.2 21.1 66 67 A H E > S-R 69 0C 29 3,-2.4 3,-2.0 -2,-0.6 -2,-0.1 -0.890 81.6 -30.8-104.6 105.9 9.4 15.6 21.8 67 68 A W T 3 S- 0 0 91 -2,-0.7 -1,-0.2 1,-0.3 48,-0.2 0.894 128.0 -44.2 50.9 45.1 11.3 17.8 24.2 68 69 A G T 3 S+ 0 0 32 1,-0.2 2,-0.9 -3,-0.1 -1,-0.3 0.216 113.9 115.2 89.8 -18.0 9.6 20.9 23.0 69 70 A A E < -R 66 0C 12 -3,-2.0 -3,-2.4 45,-0.1 2,-0.3 -0.795 50.7-168.6 -89.5 105.2 9.9 20.1 19.2 70 71 A b E -R 65 0C 71 -2,-0.9 -5,-0.2 -5,-0.3 2,-0.1 -0.687 18.0-129.1-101.1 149.9 6.3 19.7 18.0 71 72 A T > - 0 0 11 -7,-1.8 3,-0.7 -2,-0.3 2,-0.4 -0.353 48.3 -75.6 -82.2 170.8 4.9 18.3 14.8 72 73 A S T 3 S- 0 0 45 -56,-2.6 -1,-0.1 1,-0.2 -8,-0.0 -0.569 100.6 -18.7 -79.3 126.1 2.3 20.2 12.8 73 74 A N T 3 S+ 0 0 156 -2,-0.4 -1,-0.2 1,-0.1 -56,-0.0 0.869 78.6 150.5 49.4 49.6 -1.3 20.4 14.1 74 75 A S < - 0 0 14 -3,-0.7 149,-0.1 2,-0.2 -1,-0.1 0.780 52.9-132.8 -77.4 -28.3 -1.0 17.3 16.4 75 76 A G + 0 0 43 1,-0.4 -3,-0.0 -11,-0.0 -1,-0.0 0.538 56.2 160.8 84.9 4.9 -3.6 18.6 18.9 76 77 A L + 0 0 17 123,-0.1 -1,-0.4 2,-0.1 -2,-0.2 -0.785 33.4 55.7-111.0 156.9 -1.2 17.7 21.6 77 78 A P S S+ 0 0 35 0, 0.0 2,-0.3 0, 0.0 122,-0.2 0.511 74.0 156.8 -72.6 153.2 -0.4 18.2 24.4 78 79 A R E -K 198 0B 80 120,-1.4 120,-3.1 -2,-0.1 5,-0.1 -0.993 45.0 -99.3-146.1 142.4 -3.9 17.2 25.7 79 80 A R E > -K 197 0B 77 -2,-0.3 3,-1.7 118,-0.3 4,-0.3 -0.349 24.4-129.5 -64.6 140.9 -5.0 15.9 29.1 80 81 A V G > S+ 0 0 9 116,-2.7 3,-1.9 113,-0.3 115,-0.2 0.908 109.7 58.8 -55.0 -42.5 -5.6 12.2 29.5 81 82 A Q G 3 S+ 0 0 80 113,-2.4 -1,-0.3 115,-0.3 114,-0.1 0.639 103.8 53.5 -64.2 -13.9 -9.0 12.9 30.9 82 83 A E G < S+ 0 0 78 -3,-1.7 144,-2.6 112,-0.2 2,-0.4 0.391 87.1 99.2-101.4 0.7 -9.9 14.7 27.7 83 84 A L E < +D 225 0A 5 -3,-1.9 142,-0.2 -4,-0.3 3,-0.1 -0.760 38.1 172.6 -92.6 132.9 -9.0 11.8 25.3 84 85 A S E S+ 0 0 31 140,-2.8 2,-0.3 -2,-0.4 141,-0.2 0.697 71.7 8.9-106.4 -28.7 -11.7 9.6 23.9 85 86 A D E -D 224 0A 40 139,-1.6 139,-2.9 2,-0.0 2,-0.4 -0.975 53.6-179.6-156.8 135.6 -9.7 7.6 21.4 86 87 A V E +D 223 0A 1 -2,-0.3 93,-1.8 137,-0.2 94,-1.0 -0.954 17.6 175.2-138.9 116.9 -6.0 7.2 20.6 87 88 A R E -DE 222 178A 76 135,-2.2 135,-2.1 -2,-0.4 2,-0.3 -0.914 6.9-178.3-126.2 154.3 -5.0 4.8 17.7 88 89 A T E -DE 221 177A 1 89,-1.2 89,-3.2 -2,-0.3 2,-0.3 -0.996 9.9-161.6-151.7 151.5 -1.8 3.9 16.0 89 90 A S E +D 220 0A 23 131,-1.9 131,-1.6 -2,-0.3 2,-0.3 -0.943 17.8 161.0-130.3 151.8 -0.5 1.7 13.2 90 91 A W E - 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