==== 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 2BWA . 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) . 18355.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 330 73.0 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 . 45 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 7.1 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 0 133 0, 0.0 2,-0.4 0, 0.0 35,-0.2 0.000 360.0 360.0 360.0 167.2 15.6 9.1 0.5 2 3 A V E -A 35 0A 30 33,-2.1 33,-3.2 2,-0.0 2,-0.5 -0.979 360.0-131.9-129.0 140.4 17.9 11.2 2.7 3 4 A E E -A 34 0A 87 -2,-0.4 2,-0.5 31,-0.2 31,-0.2 -0.816 17.0-166.5 -96.7 130.9 20.6 9.9 4.9 4 5 A L E +A 33 0A 0 29,-3.1 29,-2.1 -2,-0.5 7,-0.0 -0.962 23.7 151.3-116.6 120.4 20.9 11.1 8.5 5 6 A a + 0 0 54 -2,-0.5 26,-0.4 27,-0.2 -1,-0.1 0.564 36.9 109.3-120.7 -16.1 24.1 10.4 10.5 6 7 A G S > S- 0 0 37 1,-0.1 3,-1.9 24,-0.1 16,-0.2 -0.384 76.7-117.6 -66.1 142.0 24.4 13.3 12.9 7 8 A R T 3 S+ 0 0 105 1,-0.3 17,-2.3 16,-0.1 -1,-0.1 0.802 112.9 24.3 -45.4 -42.1 23.7 12.5 16.6 8 9 A W T 3 S+ 0 0 163 15,-0.2 -1,-0.3 14,-0.1 -2,-0.1 0.040 90.2 143.4-116.6 24.4 20.7 14.8 16.8 9 10 A D < + 0 0 61 -3,-1.9 13,-2.7 12,-0.1 14,-0.5 -0.320 21.9 172.4 -67.6 151.0 19.7 14.9 13.1 10 11 A A E -F 21 0B 16 11,-0.2 2,-0.3 12,-0.1 11,-0.2 -0.965 20.0-161.0-154.6 162.0 16.0 15.0 12.2 11 12 A R E -F 20 0B 100 9,-2.0 9,-2.8 -2,-0.3 2,-0.2 -0.958 22.2-128.5-152.0 133.0 13.6 15.5 9.3 12 13 A D E -F 19 0B 88 -2,-0.3 2,-0.3 7,-0.2 7,-0.3 -0.581 39.8-178.2 -75.6 144.5 10.0 16.4 9.2 13 14 A V E > > +F 18 0B 2 5,-2.7 5,-1.7 -2,-0.2 3,-1.2 -0.875 47.4 37.7-140.6 172.4 8.1 13.8 7.1 14 15 A A G > 5S- 0 0 24 23,-1.9 3,-1.8 -2,-0.3 -1,-0.2 0.917 133.9 -50.8 49.6 49.6 4.7 13.1 5.8 15 16 A G G 3 5S- 0 0 76 22,-0.4 -1,-0.3 1,-0.3 23,-0.1 0.712 107.6 -55.0 63.9 20.9 3.9 16.7 5.1 16 17 A G G < 5S+ 0 0 14 -3,-1.2 56,-3.0 2,-0.2 -1,-0.3 0.332 112.0 115.6 95.3 -5.8 5.0 17.6 8.7 17 18 A R T < 5S+ 0 0 84 -3,-1.8 47,-0.3 -4,-0.3 2,-0.3 0.852 83.0 20.2 -66.1 -32.5 2.6 15.2 10.4 18 19 A Y E < -F 13 0B 12 -5,-1.7 -5,-2.7 45,-0.1 2,-0.4 -0.808 68.8-145.8-129.6 170.3 5.5 13.1 11.8 19 20 A R E -FG 12 62B 71 43,-1.8 43,-2.3 -2,-0.3 2,-0.4 -0.997 7.2-147.1-140.8 136.0 9.2 13.7 12.5 20 21 A V E -FG 11 61B 0 -9,-2.8 -9,-2.0 -2,-0.4 2,-0.4 -0.870 16.3-170.0-103.4 134.8 12.1 11.2 12.2 21 22 A I E -FG 10 60B 14 39,-2.7 39,-2.2 -2,-0.4 -11,-0.2 -0.985 25.7-154.3-128.1 135.0 15.1 11.5 14.6 22 23 A N - 0 0 0 -13,-2.7 36,-0.3 -2,-0.4 3,-0.1 0.919 33.7-179.1 -69.5 -44.6 18.4 9.7 14.5 23 24 A N + 0 0 13 -14,-0.5 35,-2.3 1,-0.2 2,-1.9 0.850 16.6 176.2 51.4 56.5 18.6 10.3 18.3 24 25 A V + 0 0 5 -17,-2.3 3,-0.4 33,-0.2 33,-0.2 -0.592 21.7 155.0 -88.4 74.1 21.9 8.8 19.4 25 26 A W + 0 0 118 -2,-1.9 32,-0.2 1,-0.2 -1,-0.2 0.723 60.5 38.3 -79.5 -25.7 21.3 10.0 22.9 26 27 A G S S+ 0 0 27 30,-1.8 2,-0.3 -3,-0.2 31,-0.2 0.200 113.2 34.1-115.6 20.1 23.3 7.6 25.0 27 28 A A - 0 0 10 29,-0.6 22,-0.1 -3,-0.4 28,-0.0 -0.982 57.6-134.7-161.8 168.0 26.5 7.0 23.1 28 29 A E + 0 0 192 -2,-0.3 -21,-0.1 2,-0.1 -1,-0.1 0.446 67.3 119.5-106.3 -7.0 29.2 8.4 20.7 29 30 A T S S- 0 0 50 1,-0.1 20,-0.2 18,-0.0 -2,-0.1 -0.284 72.6 -95.4 -61.6 145.3 29.2 5.4 18.5 30 31 A A + 0 0 38 18,-0.1 18,-2.3 17,-0.1 19,-0.5 -0.198 46.8 167.0 -64.1 152.4 28.2 6.0 14.8 31 32 A Q E - B 0 47A 3 -26,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.883 9.5-178.2-168.3 130.5 24.8 5.6 13.4 32 33 A a E - B 0 46A 10 14,-1.9 14,-1.6 -2,-0.3 13,-1.5 -0.970 6.2-164.1-131.2 152.0 23.0 6.5 10.2 33 34 A I E -AB 4 44A 0 -29,-2.1 -29,-3.1 -2,-0.3 2,-0.6 -0.989 16.1-139.1-133.6 142.9 19.4 6.0 9.0 34 35 A E E -AB 3 43A 51 9,-2.4 9,-1.9 -2,-0.4 2,-0.4 -0.925 28.7-159.7-104.7 119.8 18.1 6.4 5.4 35 36 A V E -AB 2 42A 0 -33,-3.2 -33,-2.1 -2,-0.6 2,-0.6 -0.867 21.1-144.0-113.6 133.5 14.7 8.1 5.5 36 37 A G > - 0 0 15 5,-3.1 4,-2.4 -2,-0.4 5,-0.1 -0.820 20.2-152.2 -87.1 119.5 11.8 8.3 3.0 37 38 A L T 4 S+ 0 0 78 -2,-0.6 -23,-1.9 2,-0.2 -22,-0.4 0.748 87.9 47.0 -70.4 -25.8 10.6 11.9 3.4 38 39 A E T 4 S+ 0 0 142 -25,-0.2 -1,-0.2 -24,-0.2 -25,-0.0 0.948 126.7 24.5 -81.4 -47.8 7.0 11.2 2.4 39 40 A T T 4 S- 0 0 70 -26,-0.1 180,-0.3 2,-0.1 -2,-0.2 0.806 92.0-131.9 -84.7 -30.2 6.3 8.1 4.5 40 41 A G < + 0 0 1 -4,-2.4 -3,-0.1 1,-0.3 176,-0.1 0.411 53.4 152.7 87.9 0.2 8.9 8.6 7.2 41 42 A N - 0 0 23 -5,-0.1 -5,-3.1 -6,-0.1 2,-0.3 -0.365 21.2-178.0 -61.9 143.5 9.9 5.0 6.6 42 43 A F E -BC 35 216A 0 174,-2.1 174,-2.8 -7,-0.2 2,-0.4 -0.999 23.6-154.1-148.6 146.2 13.6 4.5 7.6 43 44 A T E -BC 34 215A 37 -9,-1.9 -9,-2.4 -2,-0.3 2,-0.9 -0.953 27.1-123.6-117.2 140.2 16.2 1.8 7.6 44 45 A I E +B 33 0A 1 170,-2.7 169,-3.0 -2,-0.4 -11,-0.3 -0.757 32.5 177.8 -81.5 111.9 19.2 1.8 10.0 45 46 A T E + 0 0 33 -13,-1.5 2,-0.3 -2,-0.9 -12,-0.2 0.663 65.0 18.6 -91.6 -18.1 22.0 1.7 7.5 46 47 A R E +B 32 0A 22 -14,-1.6 -14,-1.9 -3,-0.1 -1,-0.3 -0.963 54.7 163.8-156.4 135.6 24.8 1.8 10.1 47 48 A A E +B 31 0A 13 -2,-0.3 165,-0.4 -16,-0.2 -16,-0.2 -0.711 6.3 175.3-154.5 97.8 25.1 1.3 13.9 48 49 A D + 0 0 78 -18,-2.3 -17,-0.1 -2,-0.2 -18,-0.1 0.371 38.2 140.9 -83.4 6.2 28.5 0.8 15.5 49 50 A H + 0 0 6 -19,-0.5 161,-2.0 161,-0.2 159,-0.1 -0.105 19.9 158.6 -54.8 147.9 27.0 0.7 19.0 50 51 A D B +H 209 0B 106 159,-0.2 159,-0.2 157,-0.1 -1,-0.1 -0.306 16.2 156.2-164.4 56.6 28.2 -1.6 21.7 51 52 A N > - 0 0 47 157,-2.6 3,-1.6 1,-0.2 158,-0.1 0.165 37.8-140.3 -80.9 14.6 27.0 0.1 24.8 52 53 A G T 3 S- 0 0 35 1,-0.2 -1,-0.2 156,-0.2 4,-0.1 -0.392 74.4 -13.6 63.9-135.4 26.8 -2.7 27.4 53 54 A N T 3 S+ 0 0 148 -2,-0.1 2,-0.4 2,-0.1 -1,-0.2 0.408 121.3 82.5 -84.3 3.2 23.7 -2.5 29.6 54 55 A N S < S- 0 0 115 -3,-1.6 -3,-0.1 154,-0.1 2,-0.0 -0.915 86.6-106.9-114.3 136.5 22.8 1.1 28.7 55 56 A V - 0 0 16 -2,-0.4 153,-0.2 1,-0.2 3,-0.1 -0.304 23.7-166.2 -58.7 131.8 20.9 2.2 25.6 56 57 A A - 0 0 0 151,-3.3 -30,-1.8 1,-0.3 -29,-0.6 0.795 64.4 -19.8 -87.7 -34.8 23.1 3.8 23.0 57 58 A A B -I 207 0B 0 150,-1.3 150,-2.6 -33,-0.2 -1,-0.3 -0.989 40.1-144.4-164.6 170.5 20.3 5.3 20.9 58 59 A Y - 0 0 3 -35,-2.3 148,-0.2 -36,-0.3 2,-0.1 -0.563 18.1-166.9-145.6 73.5 16.7 5.3 19.9 59 60 A P + 0 0 0 0, 0.0 146,-2.0 0, 0.0 2,-0.3 -0.482 33.9 156.4 -61.0 134.4 16.2 6.2 16.2 60 61 A A E -GJ 21 204B 0 -39,-2.2 -39,-2.7 144,-0.2 2,-0.4 -0.953 47.2-130.2-156.2 170.4 12.5 6.9 15.9 61 62 A I E -GJ 20 203B 1 142,-2.8 142,-2.5 -2,-0.3 2,-0.3 -0.966 36.0-174.6-123.8 140.8 9.6 8.5 14.2 62 63 A Y E -GJ 19 202B 2 -43,-2.3 -43,-1.8 -2,-0.4 2,-0.4 -0.960 27.2-148.8-142.9 164.7 7.1 10.4 16.3 63 64 A F E S+ J 0 201B 2 138,-2.2 138,-2.7 -2,-0.3 2,-0.4 -0.996 72.7 9.9-126.3 128.2 3.8 12.3 16.4 64 65 A G E S- J 0 200B 0 -2,-0.4 7,-2.0 -47,-0.3 2,-0.6 -0.811 107.7 -18.1 108.1-146.8 3.5 15.2 18.9 65 66 A b E -R 70 0C 4 134,-3.1 2,-0.7 -2,-0.4 5,-0.3 -0.906 46.7-175.7-116.5 111.5 6.1 17.0 21.0 66 67 A H E > S-R 69 0C 28 3,-2.3 3,-2.2 -2,-0.6 -2,-0.1 -0.915 81.0 -28.3-105.8 108.6 9.5 15.4 21.8 67 68 A W T 3 S- 0 0 108 -2,-0.7 -1,-0.2 1,-0.3 48,-0.2 0.890 127.9 -46.0 49.6 45.8 11.4 17.7 24.2 68 69 A G T 3 S+ 0 0 44 1,-0.2 2,-0.9 -3,-0.1 -1,-0.3 0.229 114.5 113.3 85.8 -15.4 9.7 20.8 22.9 69 70 A A E < -R 66 0C 37 -3,-2.2 -3,-2.3 45,-0.2 2,-0.3 -0.815 51.1-168.9 -94.4 109.7 10.0 20.0 19.2 70 71 A b E -R 65 0C 69 -2,-0.9 -5,-0.3 -5,-0.3 -52,-0.1 -0.725 18.3-127.7-104.4 151.9 6.5 19.4 17.9 71 72 A T > - 0 0 13 -7,-2.0 3,-0.6 -2,-0.3 2,-0.5 -0.186 50.3 -71.1 -78.8 177.7 5.1 18.0 14.7 72 73 A S T 3 S- 0 0 72 -56,-3.0 -1,-0.1 1,-0.2 -8,-0.0 -0.645 100.1 -23.8 -85.3 124.9 2.5 19.9 12.6 73 74 A N T 3 S+ 0 0 144 -2,-0.5 -1,-0.2 1,-0.1 -56,-0.0 0.880 78.4 153.0 46.0 52.5 -1.1 20.1 14.0 74 75 A S < - 0 0 13 -3,-0.6 149,-0.1 2,-0.2 -1,-0.1 0.710 52.4-131.1 -79.5 -22.5 -0.8 17.0 16.1 75 76 A G + 0 0 47 1,-0.3 -3,-0.0 -11,-0.0 -1,-0.0 0.587 56.7 160.4 80.0 7.5 -3.4 18.3 18.6 76 77 A L + 0 0 16 123,-0.1 -1,-0.3 121,-0.0 -2,-0.2 -0.826 34.4 56.0-113.9 156.5 -1.0 17.4 21.4 77 78 A P S S+ 0 0 39 0, 0.0 2,-0.3 0, 0.0 122,-0.2 0.492 74.3 158.9 -70.2 149.3 -0.3 17.9 24.3 78 79 A R E -K 198 0B 29 120,-1.5 120,-2.4 -2,-0.1 5,-0.1 -0.971 44.0-102.4-147.3 130.8 -3.7 16.8 25.4 79 80 A R E > -K 197 0B 68 -2,-0.3 3,-1.5 118,-0.3 118,-0.3 -0.163 24.4-128.4 -51.9 139.6 -4.9 15.6 28.8 80 81 A V G > S+ 0 0 5 116,-2.9 3,-2.1 113,-0.3 115,-0.2 0.910 110.7 56.4 -57.2 -43.4 -5.5 11.9 29.2 81 82 A Q G 3 S+ 0 0 79 113,-2.5 -1,-0.3 115,-0.3 114,-0.1 0.636 104.6 54.1 -66.0 -12.8 -9.0 12.5 30.6 82 83 A E G < S+ 0 0 93 -3,-1.5 144,-2.8 112,-0.3 2,-0.4 0.327 89.7 98.7-101.8 8.0 -9.8 14.5 27.4 83 84 A L E < +D 225 0A 2 -3,-2.1 142,-0.2 142,-0.2 3,-0.1 -0.794 37.5 169.2 -96.9 136.9 -8.7 11.6 25.1 84 85 A S E S+ 0 0 43 140,-2.6 2,-0.3 1,-0.4 141,-0.2 0.588 70.9 10.7-115.7 -23.9 -11.4 9.3 23.6 85 86 A D E +D 224 0A 35 139,-1.4 139,-2.9 2,-0.0 -1,-0.4 -0.970 53.2 179.2-156.9 139.3 -9.3 7.3 21.1 86 87 A V E +D 223 0A 1 -2,-0.3 93,-1.4 137,-0.2 94,-1.3 -0.935 18.0 174.4-144.2 117.8 -5.6 7.0 20.3 87 88 A R E +DE 222 178A 76 135,-2.5 135,-2.6 -2,-0.3 2,-0.3 -0.910 7.6 179.8-128.4 157.3 -4.6 4.6 17.5 88 89 A T E -DE 221 177A 2 89,-1.1 89,-2.8 -2,-0.3 2,-0.3 -0.994 10.4-162.1-154.3 154.8 -1.4 3.7 15.7 89 90 A S E +D 220 0A 24 131,-2.0 131,-1.8 -2,-0.3 2,-0.3 -0.966 17.5 161.9-136.3 152.9 -0.0 1.4 12.9 90 91 A W E - 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