==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-OCT-07 3B7M . COMPND 2 MOLECULE: CELLULASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOTHERMUS MARINUS; . AUTHOR S.KARTHIKEYAN,P.GUPTASARMA . 864 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31585.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 641 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 386 44.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 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 . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 78 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 2 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 3 1 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 . 13 4 4 12 5 0 14 1 2 2 4 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 3 1 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 S 0 0 126 0, 0.0 37,-2.1 0, 0.0 38,-0.4 0.000 360.0 360.0 360.0 165.8 -17.2 -23.5 -12.9 2 2 A T E -A 37 0A 90 35,-0.2 2,-0.3 36,-0.1 35,-0.2 -0.888 360.0-166.5-132.6 158.0 -17.0 -25.0 -9.4 3 3 A V E -A 36 0A 49 33,-1.8 33,-3.1 -2,-0.3 2,-0.5 -0.994 18.9-131.0-146.7 147.2 -14.5 -25.4 -6.6 4 4 A E E -A 35 0A 92 -2,-0.3 2,-0.6 31,-0.2 31,-0.2 -0.901 18.9-160.6-102.1 125.0 -14.2 -27.5 -3.4 5 5 A L E +A 34 0A 2 29,-2.9 29,-2.0 -2,-0.5 7,-0.0 -0.928 22.7 160.5-108.3 119.9 -13.3 -25.6 -0.3 6 6 A a + 0 0 55 -2,-0.6 26,-0.5 27,-0.2 2,-0.3 0.406 39.2 109.3-120.2 -4.5 -12.0 -27.8 2.6 7 7 A G S > S- 0 0 25 1,-0.1 3,-1.7 24,-0.1 16,-0.2 -0.575 74.8-122.5 -78.4 140.8 -10.2 -25.1 4.7 8 8 A Q T 3 S+ 0 0 64 1,-0.3 17,-2.5 -2,-0.3 -1,-0.1 0.799 110.6 25.6 -48.5 -39.8 -11.7 -24.2 8.0 9 9 A W T 3 S+ 0 0 69 15,-0.2 -1,-0.3 14,-0.2 313,-0.0 0.061 87.6 144.0-119.3 20.9 -12.0 -20.5 7.1 10 10 A D < + 0 0 29 -3,-1.7 13,-2.6 310,-0.1 14,-0.5 -0.332 22.0 177.1 -62.3 142.1 -12.1 -20.7 3.3 11 11 A T E -F 22 0B 9 11,-0.2 2,-0.3 12,-0.1 11,-0.2 -0.979 13.6-166.2-142.9 155.4 -14.3 -18.2 1.5 12 12 A R E -F 21 0B 99 9,-2.2 9,-3.2 -2,-0.3 2,-0.4 -0.994 20.9-130.9-141.0 138.0 -15.2 -17.3 -2.1 13 13 A T E +F 20 0B 38 -2,-0.3 7,-0.3 7,-0.2 2,-0.2 -0.715 40.4 173.9 -80.7 137.4 -16.9 -14.3 -3.7 14 14 A V E > +F 19 0B 2 5,-2.9 5,-1.6 -2,-0.4 3,-0.5 -0.797 40.1 43.9-137.0 175.0 -19.7 -15.5 -6.1 15 15 A A T > 5S- 0 0 25 23,-1.5 3,-1.5 1,-0.3 -1,-0.2 0.900 130.8 -44.9 53.9 52.4 -22.5 -14.3 -8.3 16 16 A G T 3 5S- 0 0 84 22,-0.3 -1,-0.3 1,-0.3 23,-0.1 0.795 110.1 -56.8 65.4 29.2 -20.7 -11.3 -9.9 17 17 A G T 3 5S+ 0 0 40 -3,-0.5 -1,-0.3 2,-0.2 -2,-0.2 0.416 113.4 114.7 86.0 -1.4 -19.3 -10.2 -6.5 18 18 A R T < 5S+ 0 0 114 -3,-1.5 47,-0.4 -4,-0.5 2,-0.3 0.857 75.8 24.6 -72.3 -36.3 -22.8 -9.9 -4.9 19 19 A Y E < -F 14 0B 14 -5,-1.6 -5,-2.9 45,-0.1 2,-0.4 -0.829 63.7-141.6-128.6 162.6 -22.4 -12.7 -2.3 20 20 A T E -FG 13 63B 27 43,-1.9 43,-2.7 -2,-0.3 2,-0.5 -0.980 10.3-152.6-124.1 140.0 -19.7 -14.6 -0.4 21 21 A V E -FG 12 62B 0 -9,-3.2 -9,-2.2 -2,-0.4 2,-0.4 -0.964 18.2-171.6-113.7 128.0 -19.8 -18.3 0.4 22 22 A S E -FG 11 61B 5 39,-2.4 39,-1.9 -2,-0.5 -11,-0.2 -0.955 32.2-150.9-127.3 141.2 -17.9 -19.5 3.5 23 23 A N - 0 0 0 -13,-2.6 36,-0.3 -2,-0.4 -14,-0.2 0.920 33.7-177.3 -70.5 -44.5 -16.9 -22.8 5.0 24 24 A N + 0 0 5 -14,-0.5 35,-2.3 1,-0.2 2,-1.5 0.885 12.9 174.3 52.7 54.7 -17.1 -21.2 8.5 25 25 A V + 0 0 4 -17,-2.5 3,-0.3 33,-0.2 33,-0.2 -0.632 21.8 148.6 -86.4 79.0 -16.0 -24.1 10.7 26 26 A W + 0 0 136 -2,-1.5 32,-0.2 1,-0.2 -1,-0.2 0.667 60.0 43.7 -92.4 -16.8 -16.0 -21.8 13.8 27 27 A G S S+ 0 0 22 30,-2.4 2,-0.3 -3,-0.2 31,-0.2 0.203 114.5 24.8-121.0 14.3 -16.9 -24.1 16.6 28 28 A A - 0 0 13 29,-0.4 22,-0.0 -3,-0.3 770,-0.0 -0.956 59.5-131.4-160.0 173.1 -14.9 -27.3 16.0 29 29 A E + 0 0 182 -2,-0.3 2,-0.1 2,-0.1 -21,-0.1 0.197 66.8 122.8-115.7 11.0 -11.7 -28.6 14.4 30 30 A T S S- 0 0 43 1,-0.1 20,-0.2 27,-0.1 -2,-0.1 -0.445 70.6 -93.7 -72.9 148.4 -13.5 -31.5 12.6 31 31 A A + 0 0 44 18,-0.2 18,-2.5 -2,-0.1 2,-0.3 -0.257 46.1 170.2 -72.3 147.7 -13.2 -31.6 8.8 32 32 A Q E - B 0 48A 3 -26,-0.5 2,-0.4 16,-0.2 16,-0.2 -0.950 11.4-173.8-156.1 137.5 -15.6 -30.1 6.3 33 33 A a E - B 0 47A 1 14,-1.7 14,-1.7 -2,-0.3 13,-1.4 -0.983 3.6-168.0-127.5 143.3 -15.7 -29.4 2.6 34 34 A I E -AB 5 45A 0 -29,-2.0 -29,-2.9 -2,-0.4 2,-0.6 -0.984 17.0-139.8-124.5 142.4 -18.3 -27.6 0.5 35 35 A E E -AB 4 44A 82 9,-2.9 9,-1.9 -2,-0.4 2,-0.4 -0.919 26.6-160.3-100.8 121.9 -18.5 -27.6 -3.3 36 36 A V E -AB 3 43A 0 -33,-3.1 -33,-1.8 -2,-0.6 2,-0.7 -0.890 19.0-142.9-113.8 130.8 -19.3 -24.1 -4.6 37 37 A G E > -A 2 0A 12 5,-3.0 4,-2.9 -2,-0.4 -35,-0.2 -0.828 16.8-154.2 -85.3 117.5 -20.8 -22.9 -7.9 38 38 A L T 4 S+ 0 0 53 -37,-2.1 -23,-1.5 -2,-0.7 -22,-0.3 0.696 88.3 45.6 -72.1 -22.5 -18.9 -19.7 -8.6 39 39 A E T 4 S+ 0 0 146 -38,-0.4 -1,-0.2 -25,-0.2 -37,-0.1 0.862 128.0 23.4 -84.9 -39.8 -21.7 -18.1 -10.8 40 40 A T T 4 S- 0 0 67 2,-0.1 171,-0.3 -25,-0.1 -2,-0.2 0.733 91.4-129.2 -97.2 -28.6 -24.7 -19.0 -8.6 41 41 A G < + 0 0 1 -4,-2.9 -3,-0.1 1,-0.3 167,-0.1 0.437 55.1 151.9 82.2 -0.3 -23.2 -19.4 -5.1 42 42 A N - 0 0 35 -5,-0.2 -5,-3.0 -6,-0.1 2,-0.3 -0.362 23.8-171.2 -58.5 138.7 -25.0 -22.8 -4.9 43 43 A F E -BC 36 208A 1 165,-2.2 165,-3.2 -7,-0.2 2,-0.4 -0.994 22.1-159.4-141.1 150.9 -23.2 -25.2 -2.6 44 44 A T E -BC 35 207A 39 -9,-1.9 -9,-2.9 -2,-0.3 2,-0.9 -0.989 25.5-128.4-121.2 131.6 -23.3 -28.8 -1.5 45 45 A I E +B 34 0A 0 161,-2.6 160,-3.3 -2,-0.4 -11,-0.2 -0.727 32.5 172.6 -75.9 109.3 -21.7 -30.0 1.7 46 46 A T E + 0 0 55 -13,-1.4 2,-0.3 -2,-0.9 -12,-0.2 0.673 65.9 25.6 -93.6 -20.7 -19.5 -32.9 0.4 47 47 A R E +B 33 0A 105 -14,-1.7 -14,-1.7 -3,-0.1 -1,-0.3 -0.988 57.8 155.8-147.2 133.1 -17.8 -33.6 3.7 48 48 A A E +B 32 0A 13 -2,-0.3 156,-0.4 -16,-0.2 -16,-0.2 -0.759 5.9 170.1-159.9 109.7 -18.7 -33.0 7.3 49 49 A E + 0 0 124 -18,-2.5 -18,-0.2 -2,-0.2 -17,-0.1 0.137 30.9 145.3-109.6 21.6 -17.3 -35.0 10.2 50 50 A H + 0 0 5 152,-0.3 152,-1.9 -19,-0.2 150,-0.1 -0.239 22.4 172.9 -67.1 145.9 -18.6 -33.0 13.0 51 51 A D B +H 201 0B 55 150,-0.2 731,-0.8 148,-0.1 150,-0.2 -0.375 22.7 152.6-148.4 56.6 -19.7 -34.5 16.3 52 52 A N B -R 781 0C 0 148,-2.6 729,-0.2 729,-0.2 727,-0.1 -0.322 35.1-137.8 -81.6 170.6 -20.5 -31.6 18.7 53 53 A G S S- 0 0 0 727,-1.8 726,-0.2 725,-0.1 -1,-0.2 0.602 73.4 -25.4 -94.1-110.7 -22.9 -31.7 21.6 54 54 A N S S+ 0 0 9 724,-2.0 2,-0.3 723,-0.1 725,-0.2 0.593 119.2 79.7 -86.1 -10.7 -25.2 -28.8 22.3 55 55 A N S S- 0 0 33 723,-0.4 -2,-0.1 725,-0.2 -3,-0.1 -0.754 89.0 -99.6-102.2 145.8 -23.1 -26.1 20.6 56 56 A V - 0 0 10 -2,-0.3 144,-0.2 1,-0.1 3,-0.1 -0.333 24.9-167.2 -60.5 133.7 -22.8 -25.4 16.8 57 57 A A - 0 0 0 142,-3.0 -30,-2.4 1,-0.3 -29,-0.4 0.836 68.4 -12.0 -84.8 -41.2 -19.7 -27.0 15.1 58 58 A A B -I 199 0B 0 141,-1.2 141,-3.1 -33,-0.2 -1,-0.3 -0.981 43.5-156.9-159.9 156.2 -20.0 -25.0 11.8 59 59 A Y - 0 0 4 -35,-2.3 139,-0.2 -2,-0.3 2,-0.1 -0.593 15.8-169.7-141.7 74.3 -22.2 -22.7 9.8 60 60 A P + 0 0 0 0, 0.0 137,-1.6 0, 0.0 2,-0.3 -0.500 30.0 162.6 -65.2 138.1 -21.3 -22.9 6.1 61 61 A N E -GJ 22 196B 1 -39,-1.9 -39,-2.4 135,-0.2 2,-0.4 -0.969 47.0-123.1-155.1 160.7 -23.2 -20.1 4.5 62 62 A I E -GJ 21 195B 0 133,-2.8 133,-2.1 -2,-0.3 2,-0.4 -0.973 37.7-162.9-111.7 135.1 -23.9 -17.7 1.7 63 63 A Q E -GJ 20 194B 30 -43,-2.7 -43,-1.9 -2,-0.4 2,-0.5 -0.935 22.4-160.3-126.6 138.7 -23.9 -14.0 2.8 64 64 A F E - J 0 193B 9 129,-3.0 129,-2.5 -2,-0.4 2,-0.5 -0.987 18.4-156.4-110.0 114.7 -25.1 -10.7 1.4 65 65 A A E - J 0 192B 52 -2,-0.5 127,-0.2 -47,-0.4 126,-0.1 -0.808 28.7-110.9 -88.1 130.5 -23.2 -7.8 3.1 66 66 A I - 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