==== 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 3AMN . 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 . 511 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21305.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 370 72.4 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 . 234 45.8 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 . 2 0.4 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 . 21 4.1 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 1 1 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 . 5 7 6 0 2 0 7 1 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 . 1 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 90 0, 0.0 2,-0.5 0, 0.0 39,-0.2 0.000 360.0 360.0 360.0 138.9 31.0 -8.9 57.6 2 2 A V E +A 39 0A 30 37,-2.3 37,-2.3 8,-0.1 2,-0.4 -0.934 360.0 179.2-108.5 129.5 34.4 -8.6 55.9 3 3 A L E +A 38 0A 16 -2,-0.5 2,-0.4 35,-0.2 35,-0.2 -0.995 4.5 178.3-134.5 126.3 36.9 -6.5 57.9 4 4 A M E +A 37 0A 18 33,-2.6 33,-2.8 -2,-0.4 4,-0.1 -0.993 13.3 175.6-127.0 136.8 40.6 -5.8 56.8 5 5 A T S S+ 0 0 24 -2,-0.4 30,-0.4 31,-0.2 -1,-0.1 0.125 70.9 40.2-127.3 20.0 43.0 -3.7 58.7 6 6 A K S S- 0 0 148 31,-0.1 17,-0.2 28,-0.1 31,-0.1 -0.957 105.7 -63.6-153.7 163.1 46.2 -4.3 56.6 7 7 A P S S+ 0 0 68 0, 0.0 2,-0.3 0, 0.0 17,-0.2 -0.161 80.6 102.3 -53.7 138.0 46.7 -4.6 52.8 8 8 A G E -B 23 0A 30 15,-1.0 15,-2.5 -4,-0.1 2,-0.4 -0.958 60.3 -97.5 167.4 179.1 45.0 -7.5 51.2 9 9 A T E -B 22 0A 54 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.981 26.0-177.2-127.5 137.9 42.1 -8.7 49.1 10 10 A S E -B 21 0A 33 11,-2.5 11,-3.1 -2,-0.4 2,-0.2 -1.000 19.5-137.0-132.9 135.3 38.8 -10.3 50.2 11 11 A D E +B 20 0A 74 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.614 32.4 162.3 -85.5 151.1 36.1 -11.6 48.0 12 12 A F E -B 19 0A 15 7,-2.6 7,-2.9 -2,-0.2 2,-0.4 -0.924 33.8-121.9-155.3 174.2 32.4 -10.8 48.9 13 13 A V E -B 18 0A 90 -2,-0.3 2,-0.5 5,-0.2 3,-0.0 -0.999 18.9-170.0-129.4 129.6 28.9 -10.8 47.5 14 14 A W E > S-B 17 0A 1 3,-2.4 3,-2.0 -2,-0.4 28,-0.1 -0.968 75.9 -26.6-126.3 113.7 26.8 -7.7 47.4 15 15 A N T 3 S- 0 0 128 -2,-0.5 -1,-0.2 26,-0.3 27,-0.0 0.912 128.3 -46.8 43.2 53.0 23.2 -8.1 46.4 16 16 A G T 3 S+ 0 0 65 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.301 112.6 118.9 79.6 -3.4 24.1 -11.2 44.5 17 17 A I E < -B 14 0A 25 -3,-2.0 -3,-2.4 66,-0.0 2,-0.4 -0.795 61.1-133.0 -99.6 125.0 27.1 -9.7 42.7 18 18 A P E +B 13 0A 24 0, 0.0 53,-0.3 0, 0.0 2,-0.3 -0.640 39.4 163.9 -79.1 132.8 30.5 -11.3 43.3 19 19 A L E -B 12 0A 1 -7,-2.9 -7,-2.6 -2,-0.4 2,-0.4 -0.894 32.9-133.6-142.4 168.8 33.2 -8.8 44.0 20 20 A S E -BC 11 69A 1 49,-2.5 49,-2.8 -2,-0.3 2,-0.5 -0.978 12.7-157.0-125.6 138.5 36.6 -8.3 45.4 21 21 A M E -BC 10 68A 0 -11,-3.1 -11,-2.5 -2,-0.4 2,-0.5 -0.963 9.2-167.3-114.0 136.5 37.7 -5.6 47.8 22 22 A E E -BC 9 67A 13 45,-2.7 45,-2.2 -2,-0.5 2,-1.7 -0.967 21.9-152.0-126.9 119.6 41.3 -4.6 48.0 23 23 A L E -B 8 0A 1 -15,-2.5 -15,-1.0 -2,-0.5 2,-0.8 -0.716 39.5-168.6 -84.4 91.2 42.9 -2.5 50.8 24 24 A N + 0 0 5 -2,-1.7 41,-2.4 -17,-0.2 3,-0.1 -0.765 37.2 155.5-102.5 104.0 45.3 -1.4 48.2 25 25 A L > + 0 0 11 -2,-0.8 3,-2.4 39,-0.2 39,-0.1 -0.351 22.9 156.8-114.3 51.3 48.4 0.6 49.3 26 26 A W T 3 + 0 0 76 1,-0.3 38,-0.2 29,-0.0 -1,-0.1 0.694 69.0 37.0 -58.8 -29.9 50.4 -0.6 46.1 27 27 A N T 3 S+ 0 0 3 36,-2.1 29,-2.0 -3,-0.1 2,-0.6 0.082 89.0 108.8-111.0 21.3 52.9 2.2 46.0 28 28 A I E < - D 0 55A 11 -3,-2.4 3,-0.1 27,-0.3 -3,-0.1 -0.895 41.9-174.4 -98.7 120.7 53.5 2.6 49.7 29 29 A K E S- 0 0 157 25,-2.9 2,-0.3 -2,-0.6 -1,-0.2 0.886 72.7 -6.4 -76.8 -43.1 57.0 1.4 50.9 30 30 A E E + D 0 54A 120 24,-1.1 24,-1.2 22,-0.1 -1,-0.3 -0.989 64.7 167.2-151.1 152.5 56.3 2.0 54.6 31 31 A Y E - 0 0 74 -2,-0.3 2,-0.3 22,-0.2 21,-0.2 -0.977 17.3-150.9-156.0 160.5 53.6 3.6 56.8 32 32 A S E + D 0 51A 42 19,-2.4 19,-2.5 -2,-0.3 2,-0.3 -0.874 57.7 44.6-124.7 166.4 52.6 3.8 60.4 33 33 A G E S- D 0 50A 41 -2,-0.3 2,-0.4 17,-0.2 17,-0.3 -0.694 86.3 -36.4 105.1-156.3 49.1 4.3 61.7 34 34 A S E + D 0 49A 14 15,-2.5 15,-2.9 -2,-0.3 2,-0.3 -0.907 35.7 173.4-125.6 142.4 45.7 2.8 60.9 35 35 A V E + D 0 48A 1 -30,-0.4 2,-0.3 -2,-0.4 13,-0.2 -0.989 10.3 177.7-133.3 143.3 43.8 1.5 57.9 36 36 A A E - D 0 47A 10 11,-2.3 11,-2.3 -2,-0.3 2,-0.4 -0.973 8.0-177.6-149.6 130.9 40.4 -0.2 58.0 37 37 A M E +AD 4 46A 0 -33,-2.8 -33,-2.6 -2,-0.3 2,-0.4 -0.999 13.9 178.9-128.6 132.9 38.1 -1.5 55.2 38 38 A K E -AD 3 45A 30 7,-2.4 7,-2.7 -2,-0.4 2,-0.4 -0.992 20.7-167.0-140.5 142.0 34.8 -3.1 56.0 39 39 A F E +AD 2 44A 13 -37,-2.3 -37,-2.3 -2,-0.4 5,-0.2 -0.999 8.5 175.9-122.7 129.5 31.8 -4.6 54.1 40 40 A D - 0 0 73 3,-1.9 4,-0.1 -2,-0.4 -1,-0.1 0.225 60.8 -90.9-118.7 14.6 28.6 -5.2 56.1 41 41 A G S S+ 0 0 35 2,-0.3 -26,-0.3 -39,-0.1 3,-0.1 -0.016 122.9 45.2 99.1 -24.3 26.2 -6.4 53.5 42 42 A E S S+ 0 0 89 1,-0.3 206,-0.6 -28,-0.1 2,-0.3 0.574 117.5 17.2-122.0 -25.5 24.8 -2.9 52.7 43 43 A K E - E 0 247A 32 204,-0.1 -3,-1.9 205,-0.1 2,-0.5 -0.992 55.4-140.7-152.4 153.0 27.9 -0.7 52.4 44 44 A I E -DE 39 246A 0 202,-2.4 202,-2.8 -2,-0.3 2,-0.3 -0.983 27.0-173.8-113.6 131.2 31.7 -0.8 52.0 45 45 A T E -DE 38 245A 9 -7,-2.7 -7,-2.4 -2,-0.5 2,-0.3 -0.906 8.9-170.6-124.2 151.9 33.6 1.7 54.1 46 46 A F E +DE 37 244A 0 198,-2.4 198,-2.6 -2,-0.3 2,-0.3 -0.993 5.2 178.1-138.0 138.6 37.3 2.7 54.2 47 47 A D E -DE 36 243A 10 -11,-2.3 -11,-2.3 -2,-0.3 2,-0.4 -0.997 2.7-175.3-139.9 140.3 39.2 4.8 56.6 48 48 A A E +DE 35 242A 5 194,-2.7 194,-1.8 -2,-0.3 -13,-0.2 -1.000 18.1 168.0-133.2 140.0 42.9 5.8 56.9 49 49 A D E +DE 34 241A 41 -15,-2.9 -15,-2.5 -2,-0.4 2,-0.3 -0.715 33.9 156.9-143.9 85.2 44.9 7.7 59.4 50 50 A I E +DE 33 240A 1 190,-2.5 190,-2.5 -17,-0.3 -17,-0.2 -0.829 17.8 179.4-120.3 153.0 48.5 7.0 58.4 51 51 A Q E +D 32 0A 68 -19,-2.5 -19,-2.4 -2,-0.3 188,-0.2 -0.789 55.7 49.9-139.3 178.5 51.8 8.7 58.8 52 52 A N E S+ 0 0 96 186,-0.3 2,-0.2 -2,-0.2 187,-0.2 0.866 74.7 176.7 53.9 42.4 55.5 8.2 58.0 53 53 A L E + 0 0 2 185,-2.4 -22,-0.2 -3,-0.1 -1,-0.2 -0.522 16.8 167.2 -83.5 143.1 54.7 7.5 54.4 54 54 A S E -D 30 0A 31 -24,-1.2 -25,-2.9 -2,-0.2 -24,-1.1 -0.971 31.3-118.5-147.0 144.2 57.2 6.9 51.6 55 55 A P E -D 28 0A 30 0, 0.0 -27,-0.3 0, 0.0 8,-0.1 -0.518 5.5-139.8 -79.8 151.2 56.6 5.6 48.1 56 56 A K S S+ 0 0 128 -29,-2.0 -28,-0.1 1,-0.3 -29,-0.1 0.911 100.9 9.7 -70.6 -43.8 58.0 2.4 46.6 57 57 A E > - 0 0 79 -30,-0.4 3,-2.0 1,-0.1 4,-0.3 -0.881 63.3-164.2-139.2 105.6 58.4 4.3 43.3 58 58 A P G > S+ 0 0 70 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.785 87.3 72.5 -63.2 -21.6 57.9 8.1 43.2 59 59 A E G 3 S+ 0 0 165 1,-0.3 3,-0.1 2,-0.1 0, 0.0 0.765 90.7 58.7 -63.7 -24.9 57.7 8.0 39.4 60 60 A R G < S- 0 0 99 -3,-2.0 2,-2.2 1,-0.2 -1,-0.3 0.593 92.5-158.7 -79.9 -10.2 54.2 6.4 39.8 61 61 A Y < + 0 0 112 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.1 -0.388 58.9 77.4 72.6 -67.7 53.2 9.5 41.7 62 62 A V - 0 0 10 -2,-2.2 171,-0.2 172,-0.1 172,-0.2 -0.263 65.7-148.0 -73.4 162.4 50.2 8.2 43.7 63 63 A L - 0 0 0 169,-3.0 -36,-2.1 1,-0.3 2,-0.3 0.769 64.3 -19.4-100.9 -33.9 50.5 6.0 46.8 64 64 A G B -F 232 0A 0 168,-1.4 168,-1.7 -38,-0.2 -1,-0.3 -0.959 38.6-141.6-165.2 179.3 47.5 3.7 46.8 65 65 A Y - 0 0 7 -41,-2.4 166,-0.2 -2,-0.3 -40,-0.1 -0.418 15.9-163.7-154.7 68.1 44.0 2.9 45.5 66 66 A P + 0 0 0 0, 0.0 164,-2.0 0, 0.0 2,-0.3 -0.364 39.6 138.8 -58.3 135.5 41.7 1.3 48.1 67 67 A E E -CG 22 229A 0 -45,-2.2 -45,-2.7 162,-0.2 2,-0.3 -0.931 49.9-127.6-163.8 172.0 38.9 -0.1 46.0 68 68 A F E -CG 21 228A 2 160,-2.2 160,-3.0 -2,-0.3 2,-0.3 -0.950 30.1-167.8-134.2 157.7 36.5 -2.8 45.1 69 69 A Y E -CG 20 227A 1 -49,-2.8 -49,-2.5 -2,-0.3 2,-0.5 -0.994 24.1-140.6-151.9 155.2 36.0 -4.4 41.8 70 70 A Y E S+ G 0 226A 14 156,-2.3 156,-2.3 -2,-0.3 2,-0.2 -0.962 74.4 3.5-110.5 126.8 33.9 -6.6 39.5 71 71 A G E S- G 0 225A 3 -2,-0.5 2,-0.6 -53,-0.3 9,-0.5 -0.654 104.9 -20.7 102.6-160.4 35.9 -9.0 37.3 72 72 A Y - 0 0 6 152,-2.6 7,-0.2 -2,-0.2 3,-0.1 -0.839 45.1-156.9-104.2 115.1 39.5 -9.9 36.8 73 73 A K B >>> -S 78 0B 11 5,-2.5 5,-1.3 -2,-0.6 3,-1.3 -0.804 9.9-154.2 -87.7 112.1 42.2 -7.5 37.9 74 74 A P G >45S+ 0 0 0 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.902 88.4 56.6 -54.3 -45.6 45.3 -8.4 35.8 75 75 A W G 345S+ 0 0 89 1,-0.3 51,-0.1 2,-0.1 -2,-0.0 0.753 115.1 37.1 -61.5 -25.0 47.9 -7.1 38.2 76 76 A E G <45S- 0 0 95 -3,-1.3 -1,-0.3 2,-0.2 3,-0.1 0.379 100.1-132.5-106.1 2.3 46.6 -9.3 41.1 77 77 A N T <<5 + 0 0 105 -3,-1.4 2,-0.4 -4,-0.8 -2,-0.1 0.928 65.0 131.7 46.5 48.8 45.8 -12.3 38.7 78 78 A H B < +S 73 0B 49 -5,-1.3 -5,-2.5 -58,-0.0 2,-0.3 -0.990 32.0 158.6-141.5 138.1 42.5 -12.4 40.6 79 79 A T - 0 0 46 -2,-0.4 -7,-0.2 -7,-0.2 2,-0.1 -0.970 37.7-120.1-145.3 140.8 38.8 -12.6 40.0 80 80 A A > - 0 0 7 -9,-0.5 3,-0.9 -2,-0.3 2,-0.1 -0.417 47.0 -94.4 -68.4 156.8 36.0 -13.8 42.3 81 81 A E T 3 S+ 0 0 192 1,-0.2 -1,-0.1 -2,-0.1 -10,-0.1 -0.465 104.5 36.9 -71.0 146.8 34.1 -16.7 40.9 82 82 A G T 3 S+ 0 0 44 1,-0.3 -1,-0.2 -2,-0.1 2,-0.2 0.486 74.8 139.6 97.1 -0.2 30.9 -15.8 39.0 83 83 A S < - 0 0 23 -3,-0.9 -1,-0.3 1,-0.1 -64,-0.1 -0.542 49.2-145.3 -79.2 148.4 31.9 -12.7 37.2 84 84 A K + 0 0 146 -2,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.589 62.3 123.3 -83.9 -11.3 30.8 -12.2 33.5 85 85 A L + 0 0 6 139,-0.1 139,-0.1 2,-0.0 2,-0.1 -0.712 30.5 59.6 -96.2 155.7 34.1 -10.4 32.8 86 86 A P + 0 0 6 0, 0.0 138,-0.2 0, 0.0 136,-0.1 0.430 67.4 148.5 -77.6 154.0 36.4 -10.5 31.0 87 87 A V E -H 223 0A 22 136,-1.5 136,-3.2 -2,-0.1 2,-0.1 -0.963 53.9 -89.2-141.4 156.2 34.7 -10.2 27.6 88 88 A P E > -H 222 0A 44 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.434 34.0-124.5 -65.5 144.4 35.9 -8.6 24.3 89 89 A V G > S+ 0 0 0 132,-3.0 3,-2.0 1,-0.3 131,-0.2 0.906 110.2 62.7 -54.0 -39.5 35.1 -4.9 24.1 90 90 A S G 3 S+ 0 0 69 129,-2.5 -1,-0.3 1,-0.3 130,-0.1 0.708 97.9 56.8 -60.1 -23.6 33.2 -5.7 20.8 91 91 A S G < S+ 0 0 42 -3,-1.7 2,-0.8 128,-0.2 -1,-0.3 0.565 82.4 100.7 -86.7 -6.7 30.7 -7.9 22.6 92 92 A M < + 0 0 3 -3,-2.0 163,-0.2 -4,-0.5 3,-0.1 -0.688 37.9 171.3 -84.9 111.8 29.6 -5.2 25.1 93 93 A K S S- 0 0 163 161,-2.4 2,-0.3 -2,-0.8 -1,-0.2 0.911 73.8 -19.6 -80.8 -43.2 26.3 -3.6 24.1 94 94 A S E -I 254 0A 27 160,-1.7 160,-2.9 105,-0.1 -1,-0.4 -0.988 50.2-164.3-159.2 156.8 26.1 -1.7 27.3 95 95 A F E -I 253 0A 0 -2,-0.3 103,-2.9 158,-0.2 2,-0.3 -0.728 15.3-164.6-150.1 95.6 27.5 -1.8 30.8 96 96 A S E -IJ 252 197A 27 156,-2.4 156,-1.9 -2,-0.3 2,-0.4 -0.649 5.3-172.3 -85.5 134.2 25.6 0.2 33.4 97 97 A V E +IJ 251 196A 0 99,-2.5 99,-2.0 -2,-0.3 2,-0.4 -0.996 4.0 179.7-125.3 135.0 27.3 1.0 36.7 98 98 A E E +IJ 250 195A 33 152,-2.5 152,-2.0 -2,-0.4 2,-0.3 -0.998 10.6 149.5-136.2 136.1 25.6 2.7 39.7 99 99 A V E - 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