==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-AUG-10 3AMP . COMPND 2 MOLECULE: ENDO-1,4-BETA-GLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR Y.-S.CHENG,T.-P.KO,J.-R.LIU,R.-T.GUO . 510 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21270.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 366 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 233 45.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 6 1.2 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 . 1 0.2 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 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 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 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 . 6 7 5 0 2 0 6 2 2 2 3 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 M 0 0 87 0, 0.0 2,-0.5 0, 0.0 39,-0.2 0.000 360.0 360.0 360.0 130.5 31.1 -9.0 57.7 2 2 A V E +A 39 0A 34 37,-2.6 37,-2.4 8,-0.0 2,-0.4 -0.984 360.0 179.9-114.7 125.8 34.5 -8.9 55.9 3 3 A L E +A 38 0A 16 -2,-0.5 2,-0.4 35,-0.2 35,-0.2 -0.994 7.4 178.4-133.1 123.2 37.1 -6.8 57.8 4 4 A M E +A 37 0A 18 33,-2.6 33,-2.7 -2,-0.4 4,-0.1 -0.979 13.1 175.5-121.6 141.2 40.7 -6.2 56.7 5 5 A T S S+ 0 0 22 -2,-0.4 30,-0.4 31,-0.2 -1,-0.1 0.092 71.3 43.5-129.1 18.3 43.2 -4.0 58.5 6 6 A K S S- 0 0 150 31,-0.1 17,-0.2 28,-0.1 31,-0.1 -0.963 104.8 -67.3-152.2 161.1 46.3 -4.7 56.4 7 7 A P S S+ 0 0 67 0, 0.0 2,-0.3 0, 0.0 17,-0.2 -0.227 80.7 102.7 -52.1 137.2 46.9 -4.9 52.6 8 8 A G E -B 23 0A 31 15,-0.9 15,-2.4 -4,-0.1 2,-0.4 -0.960 60.8 -99.1 168.6-179.9 45.2 -7.8 51.0 9 9 A T E -B 22 0A 51 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.982 25.4-176.5-129.4 142.8 42.2 -9.0 49.0 10 10 A S E -B 21 0A 33 11,-2.5 11,-2.7 -2,-0.4 2,-0.2 -1.000 18.6-138.3-135.4 137.0 38.9 -10.6 50.0 11 11 A D E +B 20 0A 76 -2,-0.4 2,-0.3 9,-0.2 9,-0.3 -0.640 31.4 162.3 -91.6 154.2 36.2 -11.8 47.8 12 12 A F E -B 19 0A 15 7,-2.6 7,-3.0 -2,-0.2 2,-0.4 -0.934 34.2-121.2-155.6 173.1 32.5 -11.1 48.7 13 13 A V E -B 18 0A 92 -2,-0.3 2,-0.5 5,-0.2 3,-0.0 -0.999 23.3-174.0-127.3 131.0 29.0 -11.1 47.2 14 14 A W E > S-B 17 0A 2 3,-2.5 3,-2.1 -2,-0.4 28,-0.1 -0.984 73.5 -18.5-126.6 120.7 27.0 -7.9 47.2 15 15 A N T 3 S- 0 0 111 -2,-0.5 -1,-0.1 26,-0.3 27,-0.0 0.920 130.1 -51.0 52.0 40.5 23.4 -8.0 46.1 16 16 A G T 3 S+ 0 0 68 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.460 113.5 119.0 79.7 1.2 24.1 -11.2 44.3 17 17 A I E < -B 14 0A 21 -3,-2.1 -3,-2.5 66,-0.0 2,-0.4 -0.863 61.9-131.8-109.1 128.9 27.2 -10.0 42.5 18 18 A P E +B 13 0A 22 0, 0.0 53,-0.3 0, 0.0 2,-0.3 -0.665 40.6 162.2 -77.8 129.0 30.6 -11.6 43.1 19 19 A L E -B 12 0A 1 -7,-3.0 -7,-2.6 -2,-0.4 2,-0.4 -0.853 33.1-133.3-142.3 169.1 33.3 -9.0 43.8 20 20 A S E -BC 11 69A 0 49,-2.3 49,-2.8 -2,-0.3 2,-0.4 -0.978 12.4-155.9-125.6 142.4 36.8 -8.6 45.3 21 21 A M E -BC 10 68A 0 -11,-2.7 -11,-2.5 -2,-0.4 2,-0.5 -0.965 10.3-166.2-115.7 137.5 37.8 -5.9 47.7 22 22 A E E -BC 9 67A 14 45,-3.0 45,-2.2 -2,-0.4 2,-1.9 -0.977 23.0-151.6-130.4 119.4 41.5 -4.9 47.9 23 23 A L E -B 8 0A 0 -15,-2.4 -15,-0.9 -2,-0.5 2,-0.7 -0.709 39.7-169.4 -84.3 90.5 43.0 -2.8 50.6 24 24 A N + 0 0 3 -2,-1.9 41,-2.3 -17,-0.2 3,-0.1 -0.751 35.9 155.0-100.4 104.6 45.5 -1.7 47.9 25 25 A L > + 0 0 13 -2,-0.7 3,-2.3 39,-0.2 39,-0.1 -0.346 21.9 157.4-117.4 51.7 48.6 0.2 49.0 26 26 A W T 3 + 0 0 86 1,-0.3 38,-0.2 29,-0.0 -1,-0.1 0.701 68.4 37.5 -57.1 -29.1 50.5 -0.9 45.9 27 27 A N T 3 S+ 0 0 4 36,-2.2 29,-1.9 -3,-0.1 2,-0.6 0.108 88.2 109.3-112.6 25.3 53.1 1.8 45.7 28 28 A I E < - D 0 55A 10 -3,-2.3 3,-0.1 27,-0.3 -3,-0.1 -0.888 41.1-175.9-102.6 120.0 53.7 2.3 49.4 29 29 A K E S- 0 0 153 25,-2.6 2,-0.3 -2,-0.6 -1,-0.2 0.892 72.0 -6.9 -78.1 -42.2 57.2 1.0 50.6 30 30 A E E + D 0 54A 98 24,-1.1 24,-1.3 22,-0.0 -1,-0.3 -0.994 64.4 161.7-151.0 157.0 56.5 1.7 54.3 31 31 A Y E - 0 0 77 -2,-0.3 2,-0.3 22,-0.2 21,-0.2 -0.965 20.2-147.7-164.7 163.6 54.0 3.4 56.5 32 32 A S E + D 0 51A 37 19,-2.2 19,-2.2 -2,-0.3 2,-0.3 -0.829 58.9 50.1-127.2 166.9 52.8 3.5 60.2 33 33 A G E S- D 0 50A 43 -2,-0.3 2,-0.4 17,-0.2 17,-0.2 -0.690 84.9 -43.6 106.4-159.4 49.3 4.0 61.4 34 34 A S E + D 0 49A 13 15,-2.3 15,-2.8 -2,-0.3 2,-0.3 -0.917 34.6 175.3-126.5 145.6 46.0 2.4 60.6 35 35 A V E + D 0 48A 1 -30,-0.4 2,-0.3 -2,-0.4 13,-0.2 -0.986 10.2 177.9-137.5 145.2 43.9 1.2 57.6 36 36 A A E - D 0 47A 9 11,-2.2 11,-2.4 -2,-0.3 2,-0.4 -0.973 8.4-175.2-150.3 133.4 40.6 -0.6 57.7 37 37 A M E +AD 4 46A 0 -33,-2.7 -33,-2.6 -2,-0.3 2,-0.3 -0.998 13.6 180.0-129.0 137.0 38.3 -1.8 55.0 38 38 A K E -AD 3 45A 29 7,-2.5 7,-2.6 -2,-0.4 2,-0.4 -0.995 20.5-168.7-142.6 139.6 35.0 -3.4 55.8 39 39 A F E +AD 2 44A 13 -37,-2.4 -37,-2.6 -2,-0.3 5,-0.2 -0.999 7.9 176.5-121.6 133.0 32.0 -4.8 53.9 40 40 A D - 0 0 66 3,-1.8 4,-0.1 -2,-0.4 -1,-0.0 0.129 61.1 -90.1-121.7 19.0 28.9 -5.5 56.0 41 41 A G S S+ 0 0 43 2,-0.3 -26,-0.3 1,-0.1 3,-0.1 -0.013 122.9 46.5 95.0 -23.0 26.4 -6.7 53.4 42 42 A E S S+ 0 0 88 1,-0.4 206,-0.6 -28,-0.1 2,-0.3 0.641 117.0 14.3-121.2 -27.5 25.0 -3.2 52.6 43 43 A K E - E 0 247A 31 204,-0.1 -3,-1.8 205,-0.1 2,-0.5 -0.979 56.6-138.4-147.4 161.1 28.1 -1.0 52.2 44 44 A I E -DE 39 246A 0 202,-2.5 202,-2.8 -2,-0.3 2,-0.3 -0.984 27.5-175.1-121.3 132.0 31.8 -1.1 51.8 45 45 A T E -DE 38 245A 11 -7,-2.6 -7,-2.5 -2,-0.5 2,-0.4 -0.931 10.0-170.3-127.5 152.9 33.9 1.4 53.8 46 46 A F E +DE 37 244A 0 198,-2.5 198,-2.4 -2,-0.3 2,-0.4 -0.998 5.2 178.1-141.6 138.8 37.5 2.3 53.9 47 47 A D E -DE 36 243A 17 -11,-2.4 -11,-2.2 -2,-0.4 2,-0.4 -0.999 2.0-176.8-140.8 142.0 39.4 4.5 56.3 48 48 A A E +DE 35 242A 4 194,-2.7 194,-1.8 -2,-0.4 2,-0.2 -1.000 17.1 169.8-137.4 140.6 43.1 5.4 56.6 49 49 A D E +DE 34 241A 43 -15,-2.8 -15,-2.3 -2,-0.4 2,-0.3 -0.731 33.4 156.3-143.0 87.4 45.1 7.5 59.1 50 50 A I E +DE 33 240A 0 190,-2.6 190,-2.6 -17,-0.2 -17,-0.2 -0.835 17.6 179.2-121.9 154.4 48.7 6.7 58.1 51 51 A Q E +D 32 0A 69 -19,-2.2 -19,-2.2 -2,-0.3 188,-0.2 -0.781 55.3 52.3-138.8-178.5 52.0 8.4 58.5 52 52 A N E S+ 0 0 100 186,-0.3 2,-0.2 -2,-0.2 187,-0.2 0.873 75.3 177.3 55.4 43.0 55.7 8.0 57.8 53 53 A L E + 0 0 1 185,-2.4 -22,-0.2 -3,-0.1 -1,-0.2 -0.513 18.0 166.5 -82.5 145.6 55.0 7.3 54.1 54 54 A S E -D 30 0A 30 -24,-1.3 -25,-2.6 -2,-0.2 -24,-1.1 -0.979 31.1-119.1-149.5 144.1 57.4 6.7 51.3 55 55 A P E -D 28 0A 27 0, 0.0 -27,-0.3 0, 0.0 8,-0.1 -0.521 6.1-139.4 -81.1 153.7 56.8 5.2 47.8 56 56 A K S S+ 0 0 134 -29,-1.9 -28,-0.1 1,-0.3 -29,-0.1 0.912 101.3 9.6 -72.8 -40.4 58.2 2.1 46.3 57 57 A E > - 0 0 81 -30,-0.4 3,-2.1 1,-0.1 -1,-0.3 -0.857 63.5-165.4-142.0 103.8 58.6 4.0 43.0 58 58 A P G > S+ 0 0 71 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.746 86.3 73.6 -62.7 -18.5 58.1 7.8 42.9 59 59 A E G 3 S+ 0 0 167 1,-0.3 3,-0.1 2,-0.1 -2,-0.0 0.764 91.0 57.8 -63.8 -23.3 57.9 7.6 39.1 60 60 A R G < S- 0 0 98 -3,-2.1 2,-2.4 1,-0.2 -1,-0.3 0.523 93.2-157.5 -83.2 -9.4 54.5 6.1 39.5 61 61 A Y < + 0 0 113 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.1 -0.359 58.9 76.0 72.6 -66.0 53.4 9.1 41.4 62 62 A V - 0 0 10 -2,-2.4 171,-0.2 1,-0.1 172,-0.2 -0.304 64.9-147.5 -76.0 168.1 50.4 7.8 43.5 63 63 A L - 0 0 0 169,-2.7 -36,-2.2 1,-0.3 2,-0.3 0.766 64.6 -19.1-106.5 -32.0 50.8 5.6 46.6 64 64 A G B -F 232 0A 0 168,-1.4 168,-1.6 -38,-0.2 -1,-0.3 -0.966 37.7-142.2-164.6-178.9 47.7 3.4 46.5 65 65 A Y - 0 0 5 -41,-2.3 166,-0.2 -2,-0.3 -40,-0.1 -0.403 16.7-163.6-156.7 66.4 44.2 2.6 45.3 66 66 A P + 0 0 0 0, 0.0 164,-1.9 0, 0.0 2,-0.3 -0.352 39.8 138.4 -55.5 137.3 41.9 1.0 48.0 67 67 A E E -CG 22 229A 0 -45,-2.2 -45,-3.0 162,-0.2 2,-0.3 -0.929 50.2-126.6-166.1 171.0 39.1 -0.4 45.8 68 68 A F E -CG 21 228A 1 160,-2.4 160,-2.8 -2,-0.3 2,-0.3 -0.950 30.3-167.7-132.0 159.8 36.6 -3.1 45.0 69 69 A Y E -CG 20 227A 0 -49,-2.8 -49,-2.3 -2,-0.3 2,-0.5 -0.994 24.4-139.8-151.6 156.0 36.2 -4.7 41.6 70 70 A Y E S+ G 0 226A 14 156,-2.1 156,-2.2 -2,-0.3 2,-0.2 -0.965 74.6 0.6-110.0 124.2 34.0 -6.9 39.4 71 71 A G E S- G 0 225A 3 -2,-0.5 2,-0.6 -53,-0.3 9,-0.4 -0.608 104.7 -17.1 104.2-158.5 36.0 -9.3 37.2 72 72 A Y - 0 0 6 152,-2.6 7,-0.2 -2,-0.2 3,-0.1 -0.810 44.7-159.3-103.2 113.1 39.7 -10.2 36.6 73 73 A K B >>> -S 78 0B 13 5,-2.2 5,-1.4 -2,-0.6 3,-1.1 -0.813 11.5-152.7 -89.2 109.8 42.4 -7.8 37.7 74 74 A P G >45S+ 0 0 0 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.899 88.9 57.4 -51.2 -46.9 45.4 -8.7 35.6 75 75 A W G 345S+ 0 0 93 1,-0.3 51,-0.1 2,-0.1 -2,-0.0 0.770 114.1 37.8 -61.2 -28.3 48.0 -7.5 38.1 76 76 A E G <45S- 0 0 90 -3,-1.1 -1,-0.3 2,-0.2 3,-0.1 0.442 100.0-132.9 -99.9 -3.0 46.7 -9.8 40.8 77 77 A N T <<5 + 0 0 104 -3,-1.5 2,-0.4 -4,-0.8 -2,-0.1 0.920 66.4 128.5 53.0 46.7 45.9 -12.7 38.5 78 78 A H B < +S 73 0B 49 -5,-1.4 -5,-2.2 2,-0.0 2,-0.3 -0.988 33.8 159.6-142.5 138.5 42.6 -12.8 40.3 79 79 A T - 0 0 43 -2,-0.4 -7,-0.2 -7,-0.2 2,-0.1 -0.967 39.5-118.5-144.7 144.5 38.9 -12.9 39.7 80 80 A A > - 0 0 7 -9,-0.4 3,-0.9 -2,-0.3 2,-0.1 -0.446 47.8 -92.2 -71.1 155.8 36.2 -14.0 42.2 81 81 A E T 3 S+ 0 0 188 1,-0.2 -1,-0.1 -2,-0.1 -10,-0.0 -0.435 106.5 37.1 -68.9 143.7 34.2 -17.0 40.8 82 82 A G T 3 S+ 0 0 50 1,-0.3 -1,-0.2 -2,-0.1 2,-0.2 0.426 75.6 139.4 99.7 -0.0 31.0 -16.1 38.9 83 83 A S < - 0 0 23 -3,-0.9 -1,-0.3 1,-0.1 -64,-0.1 -0.491 49.0-145.9 -75.1 145.3 32.1 -13.0 37.0 84 84 A K + 0 0 150 -2,-0.2 -1,-0.1 3,-0.0 -14,-0.0 0.589 61.1 126.7 -83.7 -10.7 31.0 -12.6 33.4 85 85 A L + 0 0 5 139,-0.1 2,-0.1 2,-0.0 139,-0.1 -0.713 29.4 56.7 -96.0 156.1 34.3 -10.8 32.6 86 86 A P + 0 0 5 0, 0.0 138,-0.2 0, 0.0 136,-0.1 0.455 66.7 150.6 -77.8 158.9 36.6 -10.9 30.8 87 87 A V E -H 223 0A 19 136,-1.4 136,-3.0 -2,-0.1 5,-0.1 -0.976 53.6 -89.9-144.7 151.7 34.9 -10.5 27.4 88 88 A P E > -H 222 0A 45 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.377 34.8-124.4 -62.3 145.1 36.1 -9.0 24.2 89 89 A V G > S+ 0 0 0 132,-2.9 3,-1.9 129,-0.3 131,-0.2 0.898 111.1 62.8 -55.1 -41.4 35.2 -5.3 23.9 90 90 A S G 3 S+ 0 0 69 129,-2.5 -1,-0.3 131,-0.3 130,-0.1 0.727 98.1 56.5 -59.0 -22.9 33.5 -6.0 20.6 91 91 A S G < S+ 0 0 37 -3,-1.7 2,-0.9 128,-0.2 -1,-0.3 0.582 83.4 100.3 -87.4 -8.0 31.0 -8.3 22.5 92 92 A M < + 0 0 3 -3,-1.9 163,-0.2 -4,-0.5 3,-0.1 -0.683 39.0 171.9 -85.1 110.3 29.8 -5.6 24.9 93 93 A K S S- 0 0 135 161,-2.3 2,-0.3 -2,-0.9 -1,-0.2 0.915 73.7 -21.2 -75.9 -47.0 26.5 -4.0 23.9 94 94 A S E -I 254 0A 28 160,-1.6 160,-2.9 105,-0.1 -1,-0.3 -0.983 50.8-163.2-157.9 157.8 26.3 -2.1 27.1 95 95 A F E -I 253 0A 0 -2,-0.3 103,-2.8 158,-0.2 2,-0.4 -0.734 15.0-163.6-149.4 94.6 27.6 -2.2 30.6 96 96 A S E -IJ 252 197A 29 156,-2.6 156,-2.1 -2,-0.3 2,-0.4 -0.688 5.3-172.2 -85.6 135.8 25.8 -0.1 33.2 97 97 A V E +IJ 251 196A 0 99,-2.6 99,-2.1 -2,-0.4 2,-0.4 -0.986 5.0 177.6-126.9 130.5 27.5 0.7 36.5 98 98 A E E +IJ 250 195A 35 152,-2.6 152,-2.1 -2,-0.4 2,-0.3 -0.995 9.6 150.8-133.4 138.5 25.7 2.4 39.4 99 99 A V E - 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