==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-JUL-05 2BWC . COMPND 2 MOLECULE: ENDOGLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOTHERMUS MARINUS; . AUTHOR S.J.CRENNELL,E.NORDBERG-KARLSSON . 452 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18379.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 73.9 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 . 195 43.1 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 . 50 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 6.2 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 . 3 6 4 5 3 0 4 0 4 0 2 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 1 1 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 2 A T 0 0 130 0, 0.0 2,-0.4 0, 0.0 35,-0.2 0.000 360.0 360.0 360.0 175.3 15.3 9.4 0.2 2 3 A V E -A 35 0A 31 33,-2.0 33,-3.2 2,-0.0 2,-0.5 -0.977 360.0-132.5-132.5 145.3 17.7 11.2 2.5 3 4 A E E -A 34 0A 78 -2,-0.4 2,-0.5 31,-0.2 31,-0.2 -0.841 15.4-167.1-101.2 133.2 20.4 9.9 4.8 4 5 A L E +A 33 0A 1 29,-2.4 29,-1.8 -2,-0.5 7,-0.0 -0.975 23.4 153.2-120.0 117.7 20.7 11.2 8.4 5 6 A a + 0 0 58 -2,-0.5 26,-0.5 27,-0.2 -1,-0.1 0.497 38.0 114.3-117.0 -14.1 23.9 10.4 10.3 6 7 A G S > S- 0 0 24 1,-0.1 3,-1.4 24,-0.1 18,-0.2 -0.309 74.5-120.8 -62.1 144.2 24.0 13.3 12.6 7 8 A R T 3 S+ 0 0 97 1,-0.3 17,-2.6 16,-0.1 -1,-0.1 0.864 112.3 22.6 -50.8 -45.4 23.6 12.5 16.3 8 9 A W T 3 S+ 0 0 160 15,-0.2 -1,-0.3 14,-0.1 -2,-0.1 -0.012 91.6 147.1-115.5 28.8 20.6 14.8 16.6 9 10 A D < + 0 0 58 -3,-1.4 13,-2.5 12,-0.1 14,-0.6 -0.259 19.9 173.1 -64.3 149.6 19.5 14.8 13.0 10 11 A A E -F 21 0B 20 11,-0.2 2,-0.3 12,-0.1 11,-0.2 -0.977 19.2-164.2-155.0 163.3 15.8 15.1 12.1 11 12 A R E -F 20 0B 102 9,-2.1 9,-2.9 -2,-0.3 2,-0.2 -0.956 22.2-129.1-154.0 131.9 13.4 15.5 9.3 12 13 A D E -F 19 0B 90 -2,-0.3 2,-0.3 7,-0.2 7,-0.3 -0.592 38.9-180.0 -76.4 144.2 9.7 16.4 9.1 13 14 A V E > > +F 18 0B 2 5,-2.8 5,-1.7 -2,-0.2 3,-1.0 -0.857 47.2 39.4-139.7 175.4 7.8 13.9 7.0 14 15 A A G > 5S- 0 0 31 23,-1.4 3,-2.1 1,-0.3 -1,-0.2 0.929 134.4 -50.3 47.0 54.8 4.3 13.1 5.8 15 16 A G G 3 5S- 0 0 79 22,-0.3 -1,-0.3 1,-0.3 23,-0.1 0.771 107.6 -54.9 57.6 27.9 3.5 16.8 5.1 16 17 A G G < 5S+ 0 0 11 -3,-1.0 56,-3.1 2,-0.2 -1,-0.3 0.352 113.0 114.5 89.4 -6.4 4.7 17.7 8.6 17 18 A R T < 5S+ 0 0 85 -3,-2.1 47,-0.4 -4,-0.3 2,-0.3 0.834 83.0 22.8 -66.4 -32.1 2.4 15.3 10.4 18 19 A Y E < -F 13 0B 13 -5,-1.7 -5,-2.8 45,-0.1 2,-0.4 -0.802 68.5-148.3-128.7 171.4 5.3 13.2 11.7 19 20 A R E -FG 12 62B 61 43,-1.5 43,-2.1 -7,-0.3 2,-0.4 -0.989 6.5-148.0-146.4 131.8 9.0 13.7 12.3 20 21 A V E -FG 11 61B 0 -9,-2.9 -9,-2.1 -2,-0.4 2,-0.4 -0.855 15.3-169.7-103.0 134.5 11.9 11.3 12.1 21 22 A I E -FG 10 60B 13 39,-2.9 39,-2.4 -2,-0.4 -11,-0.2 -0.984 26.0-153.4-127.2 133.8 14.9 11.6 14.5 22 23 A N - 0 0 0 -13,-2.5 36,-0.3 -2,-0.4 -1,-0.1 0.907 35.3-178.7 -67.1 -40.6 18.2 9.8 14.3 23 24 A N + 0 0 10 -14,-0.6 35,-2.4 1,-0.2 2,-1.8 0.840 16.5 174.8 44.7 59.0 18.3 10.4 18.0 24 25 A V + 0 0 5 -17,-2.6 3,-0.4 33,-0.2 33,-0.2 -0.592 19.3 154.2 -90.2 75.1 21.7 8.9 19.1 25 26 A W + 0 0 119 -2,-1.8 32,-0.2 1,-0.2 -1,-0.2 0.638 61.6 40.9 -80.8 -17.5 21.1 10.1 22.7 26 27 A G S S+ 0 0 25 30,-1.8 2,-0.3 -3,-0.2 31,-0.2 0.266 110.8 32.5-119.7 16.4 23.2 7.6 24.6 27 28 A A - 0 0 12 29,-0.6 22,-0.1 -3,-0.4 -1,-0.0 -0.985 56.9-133.6-161.3 167.1 26.5 7.0 22.7 28 29 A E + 0 0 196 -2,-0.3 3,-0.1 2,-0.1 2,-0.1 0.432 68.5 119.3-103.5 -5.6 29.1 8.4 20.4 29 30 A T S S- 0 0 48 1,-0.1 20,-0.2 27,-0.0 -2,-0.1 -0.372 73.4 -96.9 -65.5 139.2 29.1 5.4 18.1 30 31 A A + 0 0 37 18,-0.1 18,-2.7 17,-0.1 19,-0.4 -0.111 45.8 170.8 -56.4 149.4 28.1 6.2 14.5 31 32 A Q E - B 0 47A 2 -26,-0.5 2,-0.3 16,-0.2 16,-0.2 -0.900 7.8-179.7-163.5 131.0 24.5 5.7 13.2 32 33 A a E - B 0 46A 6 14,-2.3 14,-1.6 -2,-0.3 13,-1.0 -0.947 6.6-164.4-131.7 154.0 22.7 6.6 9.9 33 34 A I E -AB 4 44A 0 -29,-1.8 -29,-2.4 -2,-0.3 2,-0.7 -0.999 17.4-137.2-139.3 137.6 19.2 6.1 8.7 34 35 A E E -AB 3 43A 51 9,-2.5 9,-1.7 -2,-0.4 2,-0.4 -0.871 30.3-160.6 -96.1 117.0 17.8 6.3 5.2 35 36 A V E -AB 2 42A 0 -33,-3.2 -33,-2.0 -2,-0.7 2,-0.6 -0.853 19.9-144.4-109.7 133.3 14.5 8.2 5.4 36 37 A G > - 0 0 14 5,-3.4 4,-2.1 -2,-0.4 5,-0.1 -0.811 17.6-152.2 -87.7 121.8 11.6 8.3 2.9 37 38 A L T 4 S+ 0 0 78 -2,-0.6 -23,-1.4 1,-0.2 -22,-0.3 0.735 87.8 46.6 -70.8 -23.8 10.3 11.9 3.2 38 39 A E T 4 S+ 0 0 157 -25,-0.2 -1,-0.2 -24,-0.1 -25,-0.1 0.902 127.2 23.6 -84.2 -44.6 6.7 11.2 2.3 39 40 A T T 4 S- 0 0 68 2,-0.1 180,-0.2 -26,-0.1 -2,-0.2 0.763 93.3-130.0 -91.5 -30.0 6.0 8.2 4.5 40 41 A G < + 0 0 0 -4,-2.1 -3,-0.1 1,-0.3 2,-0.1 0.503 54.2 154.1 88.0 3.4 8.6 8.7 7.1 41 42 A N - 0 0 22 -5,-0.1 -5,-3.4 -6,-0.1 2,-0.3 -0.417 19.5-179.2 -64.7 140.2 9.7 5.1 6.5 42 43 A F E -BC 35 216A 0 174,-2.1 174,-3.2 -7,-0.2 2,-0.4 -0.999 24.3-153.2-148.4 149.5 13.3 4.5 7.4 43 44 A T E -BC 34 215A 34 -9,-1.7 -9,-2.5 -2,-0.3 2,-1.0 -0.968 27.5-123.7-119.9 133.8 16.0 1.8 7.5 44 45 A I E +B 33 0A 0 170,-2.7 169,-3.1 -2,-0.4 -11,-0.2 -0.682 34.3 175.7 -75.8 106.3 18.9 1.8 9.9 45 46 A T E + 0 0 37 -13,-1.0 2,-0.3 -2,-1.0 -1,-0.2 0.690 65.2 20.2 -87.8 -19.5 21.7 1.7 7.3 46 47 A R E +B 32 0A 20 -14,-1.6 -14,-2.3 -3,-0.1 -1,-0.3 -0.955 55.6 161.3-154.6 132.7 24.5 2.0 9.8 47 48 A A E +B 31 0A 13 -2,-0.3 165,-0.4 -16,-0.2 -16,-0.2 -0.791 7.8 176.8-152.6 102.1 24.8 1.4 13.6 48 49 A D + 0 0 75 -18,-2.7 -18,-0.1 -2,-0.3 -17,-0.1 0.322 37.8 144.6 -87.7 8.4 28.3 0.9 15.2 49 50 A H + 0 0 6 -19,-0.4 161,-1.9 161,-0.3 159,-0.1 -0.073 18.2 155.0 -53.8 145.6 26.7 0.7 18.6 50 51 A D B +H 209 0B 115 159,-0.2 159,-0.2 157,-0.1 -1,-0.1 -0.340 16.1 151.5-168.0 61.8 28.1 -1.5 21.3 51 52 A N > - 0 0 48 157,-2.9 3,-1.7 1,-0.3 158,-0.1 0.202 39.7-144.5 -90.1 12.5 26.9 0.2 24.4 52 53 A G T 3 S- 0 0 32 1,-0.2 -1,-0.3 156,-0.2 4,-0.1 -0.360 73.1 -8.5 63.0-132.2 26.6 -2.7 26.8 53 54 A N T 3 S+ 0 0 151 -2,-0.1 2,-0.4 2,-0.1 -1,-0.2 0.462 121.5 82.3 -80.3 -0.7 23.8 -2.5 29.3 54 55 A N S < S- 0 0 112 -3,-1.7 -3,-0.1 154,-0.1 2,-0.1 -0.872 87.2-108.2-110.3 139.7 22.9 1.1 28.3 55 56 A V - 0 0 18 -2,-0.4 153,-0.2 1,-0.1 3,-0.1 -0.388 25.0-167.7 -63.0 133.2 20.8 2.2 25.4 56 57 A A - 0 0 0 151,-3.2 -30,-1.8 1,-0.3 -29,-0.6 0.766 62.5 -20.6 -92.9 -31.7 23.0 3.9 22.7 57 58 A A B -I 207 0B 0 150,-1.2 150,-2.6 -32,-0.2 -1,-0.3 -0.989 39.7-144.4-168.2 169.8 20.2 5.4 20.6 58 59 A Y - 0 0 3 -35,-2.4 148,-0.2 -36,-0.3 -37,-0.1 -0.539 18.1-167.7-144.4 69.9 16.5 5.4 19.6 59 60 A P + 0 0 0 0, 0.0 146,-1.9 0, 0.0 2,-0.3 -0.446 33.6 153.0 -58.9 135.9 16.1 6.3 16.0 60 61 A A E -GJ 21 204B 0 -39,-2.4 -39,-2.9 144,-0.2 2,-0.4 -0.963 47.9-129.0-158.4 174.0 12.4 6.9 15.7 61 62 A I E -GJ 20 203B 0 142,-2.3 142,-2.0 -2,-0.3 2,-0.3 -0.980 35.7-176.1-128.2 139.9 9.4 8.6 14.1 62 63 A Y E -GJ 19 202B 2 -43,-2.1 -43,-1.5 -2,-0.4 2,-0.4 -0.937 27.3-143.4-142.3 165.4 6.9 10.4 16.2 63 64 A F E S+ J 0 201B 2 138,-2.4 138,-2.4 -2,-0.3 2,-0.3 -0.995 74.2 7.8-124.4 125.6 3.6 12.3 16.3 64 65 A G E S- J 0 200B 0 -2,-0.4 7,-2.0 -47,-0.4 2,-0.6 -0.818 108.2 -14.8 109.9-147.1 3.3 15.3 18.7 65 66 A b E -Q 70 0C 1 134,-3.1 2,-0.7 -2,-0.3 5,-0.3 -0.877 45.4-175.7-113.1 113.4 5.9 17.0 20.8 66 67 A H E > S-Q 69 0C 26 3,-2.4 3,-1.9 -2,-0.6 -2,-0.1 -0.888 81.0 -31.0-104.5 106.6 9.4 15.5 21.5 67 68 A W T 3 S- 0 0 116 -2,-0.7 -1,-0.2 1,-0.3 48,-0.2 0.887 127.1 -44.0 52.0 45.5 11.3 17.7 23.9 68 69 A G T 3 S+ 0 0 40 1,-0.2 2,-0.9 -3,-0.1 -1,-0.3 0.024 114.8 111.3 92.9 -29.9 9.6 20.9 22.7 69 70 A A E < -Q 66 0C 41 -3,-1.9 -3,-2.4 45,-0.1 2,-0.3 -0.716 52.3-169.3 -83.7 107.0 9.9 20.1 18.9 70 71 A b E -Q 65 0C 68 -2,-0.9 -5,-0.3 -5,-0.3 3,-0.1 -0.718 18.4-127.8-100.7 148.9 6.3 19.4 17.9 71 72 A T > - 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