==== 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 3AMQ . 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 . 1025 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40925.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 756 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 473 46.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 12 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 113 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 3 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 4 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 . 9 15 12 0 4 0 14 2 4 4 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 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 0 189 0, 0.0 2,-0.4 0, 0.0 39,-0.2 0.000 360.0 360.0 360.0 125.7 16.8 -3.2 75.1 2 2 A V E -A 39 0A 34 37,-2.5 37,-2.4 8,-0.1 2,-0.4 -0.926 360.0-173.2-121.0 138.6 15.9 -0.1 77.1 3 3 A L E +A 38 0A 114 -2,-0.4 2,-0.4 35,-0.2 35,-0.2 -0.995 6.4 175.4-136.1 138.1 15.5 0.4 80.9 4 4 A M E +A 37 0A 20 33,-2.3 33,-2.6 -2,-0.4 4,-0.1 -0.997 11.1 174.0-139.2 142.0 14.3 3.2 83.0 5 5 A T S S+ 0 0 83 -2,-0.4 30,-0.4 31,-0.2 -1,-0.1 0.132 71.0 42.2-133.0 12.9 13.8 3.3 86.7 6 6 A K S S- 0 0 150 31,-0.1 17,-0.2 28,-0.1 31,-0.1 -0.960 104.5 -67.6-150.5 162.1 13.0 6.9 87.3 7 7 A P S S+ 0 0 64 0, 0.0 2,-0.3 0, 0.0 17,-0.2 -0.192 81.5 97.8 -55.0 143.2 10.9 9.4 85.4 8 8 A G E -B 23 0A 29 15,-0.9 15,-2.1 -4,-0.1 2,-0.4 -0.910 64.7 -91.0 157.3 177.2 12.2 10.3 82.0 9 9 A T E -B 22 0A 45 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.965 30.3-179.9-125.6 139.3 11.9 9.6 78.3 10 10 A S E -B 21 0A 33 11,-2.1 11,-3.0 -2,-0.4 2,-0.2 -1.000 20.0-134.6-137.4 136.3 13.8 7.1 76.1 11 11 A D E +B 20 0A 70 -2,-0.3 2,-0.3 9,-0.2 9,-0.3 -0.577 29.6 164.2 -88.3 152.6 13.5 6.3 72.4 12 12 A F E -B 19 0A 13 7,-2.4 7,-2.9 -2,-0.2 2,-0.4 -0.916 31.7-125.0-151.9 175.7 13.4 2.8 71.0 13 13 A V E -B 18 0A 43 -2,-0.3 2,-0.4 5,-0.2 28,-0.0 -0.997 21.7-171.3-131.3 132.3 12.4 1.0 67.8 14 14 A W E > S-B 17 0A 2 3,-2.4 3,-2.0 -2,-0.4 28,-0.1 -0.967 73.1 -21.5-129.2 114.5 9.9 -1.8 67.8 15 15 A N T 3 S- 0 0 112 -2,-0.4 -1,-0.1 26,-0.3 27,-0.0 0.907 130.4 -50.0 56.0 38.9 9.3 -4.0 64.8 16 16 A G T 3 S+ 0 0 31 1,-0.2 1011,-0.5 1011,-0.1 -1,-0.3 0.332 113.1 122.7 81.7 -3.2 10.8 -1.1 62.7 17 17 A I E < -B 14 0A 22 -3,-2.0 -3,-2.4 1009,-0.1 2,-0.5 -0.777 61.2-133.0 -94.2 121.7 8.6 1.6 64.3 18 18 A P E +B 13 0A 10 0, 0.0 53,-0.3 0, 0.0 2,-0.2 -0.645 40.6 166.5 -76.4 125.3 10.4 4.5 66.0 19 19 A L E -B 12 0A 0 -7,-2.9 -7,-2.4 -2,-0.5 2,-0.4 -0.811 32.0-133.8-133.8 172.0 8.8 5.1 69.4 20 20 A S E -BC 11 69A 1 49,-2.1 49,-2.6 -9,-0.3 2,-0.4 -0.975 11.7-155.3-130.3 140.2 9.3 6.9 72.8 21 21 A M E -BC 10 68A 0 -11,-3.0 -11,-2.1 -2,-0.4 2,-0.4 -0.936 11.0-169.0-111.1 140.2 8.8 5.3 76.2 22 22 A E E -BC 9 67A 12 45,-3.7 45,-2.5 -2,-0.4 2,-1.9 -0.953 21.4-152.7-136.4 119.2 8.0 7.7 79.1 23 23 A L E -B 8 0A 0 -15,-2.1 -15,-0.9 -2,-0.4 2,-0.7 -0.719 38.1-168.3 -86.2 83.5 8.1 6.6 82.7 24 24 A N + 0 0 4 -2,-1.9 41,-1.8 41,-0.2 3,-0.1 -0.751 36.7 153.8 -92.1 109.8 5.6 9.4 83.3 25 25 A L > + 0 0 14 -2,-0.7 3,-2.0 39,-0.2 39,-0.1 -0.376 21.1 157.0-124.7 47.4 4.8 10.4 86.9 26 26 A W T 3 + 0 0 81 1,-0.3 38,-0.2 29,-0.0 -1,-0.1 0.711 67.5 40.1 -54.7 -30.8 3.8 13.9 85.8 27 27 A N T 3 S+ 0 0 1 36,-2.1 29,-1.6 -3,-0.1 2,-0.5 0.119 88.6 106.3-108.7 24.3 1.6 14.8 88.7 28 28 A I E < - D 0 55A 11 -3,-2.0 3,-0.1 27,-0.3 -3,-0.1 -0.896 45.9-169.8-105.4 125.1 3.6 13.2 91.6 29 29 A K E S- 0 0 138 25,-2.9 2,-0.3 -2,-0.5 -1,-0.2 0.882 74.8 -14.2 -77.0 -44.0 5.5 15.6 93.9 30 30 A E E + D 0 54A 105 24,-0.9 24,-1.0 22,-0.1 -1,-0.3 -0.989 63.2 173.2-156.5 156.1 7.4 12.9 95.6 31 31 A Y E - 0 0 68 -2,-0.3 2,-0.3 22,-0.2 21,-0.2 -0.968 14.2-151.8-154.2 165.9 7.3 9.1 95.9 32 32 A S E + D 0 51A 47 19,-2.1 19,-2.4 -2,-0.3 2,-0.2 -0.862 57.4 50.2-134.3 167.8 9.4 6.3 97.4 33 33 A G E S- D 0 50A 44 -2,-0.3 2,-0.4 17,-0.2 17,-0.2 -0.665 88.2 -43.7 102.5-155.4 9.7 2.7 96.3 34 34 A S E + D 0 49A 87 15,-2.2 15,-2.6 -2,-0.2 2,-0.3 -0.927 36.9 174.6-127.8 145.0 10.4 1.3 92.9 35 35 A V E + D 0 48A 6 -30,-0.4 2,-0.3 -2,-0.4 13,-0.2 -0.991 11.3 179.2-136.8 143.2 9.3 1.8 89.3 36 36 A A E - D 0 47A 37 11,-2.2 11,-2.1 -2,-0.3 2,-0.4 -0.964 8.4-179.3-150.0 132.6 10.7 0.1 86.2 37 37 A M E +AD 4 46A 0 -33,-2.6 -33,-2.3 -2,-0.3 2,-0.4 -0.992 13.6 176.1-130.6 135.3 9.9 0.2 82.5 38 38 A K E -AD 3 45A 95 7,-2.0 7,-2.3 -2,-0.4 2,-0.5 -0.997 24.2-159.6-144.8 142.9 11.7 -1.8 80.0 39 39 A F E -AD 2 44A 10 -37,-2.4 -37,-2.5 -2,-0.4 5,-0.2 -0.983 9.9-179.2-118.2 127.8 11.7 -2.6 76.3 40 40 A D - 0 0 36 3,-1.9 4,-0.1 -2,-0.5 -1,-0.1 0.208 59.3 -91.0-112.0 13.2 13.4 -5.9 75.3 41 41 A G S S+ 0 0 41 2,-0.3 -26,-0.3 -39,-0.1 3,-0.1 0.114 123.0 42.9 99.1 -20.3 13.0 -5.8 71.6 42 42 A E S S+ 0 0 139 1,-0.4 206,-0.5 -28,-0.1 2,-0.3 0.522 117.2 18.7-131.8 -21.2 9.7 -7.7 71.7 43 43 A K - 0 0 64 204,-0.1 -3,-1.9 205,-0.1 2,-0.4 -0.993 56.1-139.6-151.4 156.7 7.6 -6.3 74.6 44 44 A I E -DE 39 246A 0 202,-1.8 202,-2.3 -2,-0.3 2,-0.3 -0.973 27.8-176.7-114.9 133.2 7.4 -3.2 76.8 45 45 A T E -DE 38 245A 21 -7,-2.3 -7,-2.0 -2,-0.4 2,-0.4 -0.928 9.7-166.5-130.8 154.0 6.6 -3.9 80.5 46 46 A F E +DE 37 244A 0 198,-2.4 198,-2.0 -2,-0.3 2,-0.4 -0.998 5.9 179.2-139.5 141.4 6.0 -1.6 83.4 47 47 A D E -DE 36 243A 83 -11,-2.1 -11,-2.2 -2,-0.4 2,-0.4 -0.993 2.3-177.5-142.7 133.9 6.0 -2.4 87.2 48 48 A A E +DE 35 242A 10 194,-2.8 194,-1.5 -2,-0.4 -13,-0.2 -0.999 18.3 166.5-134.7 140.9 5.4 -0.0 90.1 49 49 A D E +DE 34 241A 76 -15,-2.6 -15,-2.2 -2,-0.4 2,-0.3 -0.752 33.9 155.2-144.3 83.7 5.4 -0.5 93.8 50 50 A I E +DE 33 240A 0 190,-2.5 190,-2.4 -17,-0.2 -17,-0.2 -0.856 16.6 173.3-122.2 153.4 5.5 3.0 95.2 51 51 A Q E +D 32 0A 73 -19,-2.4 -19,-2.1 -2,-0.3 188,-0.2 -0.775 53.4 59.4-140.2-173.7 4.4 4.7 98.4 52 52 A N E S+ 0 0 87 -2,-0.2 2,-0.2 186,-0.2 187,-0.2 0.855 73.8 176.0 53.8 39.7 4.6 8.1 100.2 53 53 A L E + 0 0 1 185,-2.5 -1,-0.2 -3,-0.1 -22,-0.2 -0.512 16.4 165.9 -80.0 140.9 2.7 9.6 97.2 54 54 A S E -D 30 0A 22 -24,-1.0 -25,-2.9 -2,-0.2 -24,-0.9 -0.976 31.3-121.0-147.6 143.0 1.6 13.2 97.1 55 55 A P E -D 28 0A 19 0, 0.0 -27,-0.3 0, 0.0 8,-0.1 -0.492 3.0-141.7 -87.6 160.3 0.4 15.1 94.0 56 56 A K S S+ 0 0 132 -29,-1.6 -28,-0.1 1,-0.3 3,-0.1 0.914 101.8 15.9 -78.3 -46.5 1.9 18.3 92.5 57 57 A E > - 0 0 97 -30,-0.3 3,-1.9 1,-0.1 4,-0.4 -0.901 67.8-165.8-128.7 101.3 -1.6 19.7 91.7 58 58 A P G > S+ 0 0 69 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.846 86.4 70.1 -52.4 -36.4 -4.5 17.8 93.5 59 59 A E G 3 S+ 0 0 174 1,-0.3 3,-0.1 -3,-0.1 0, 0.0 0.720 88.1 62.1 -53.6 -29.3 -6.9 19.5 91.1 60 60 A R G < S- 0 0 86 -3,-1.9 2,-2.1 1,-0.2 -1,-0.3 0.594 90.0-157.2 -75.6 -14.6 -5.6 17.3 88.1 61 61 A Y < + 0 0 100 -3,-2.0 -1,-0.2 -4,-0.4 -2,-0.1 -0.436 59.7 77.0 73.9 -70.4 -6.8 14.2 90.0 62 62 A V - 0 0 9 -2,-2.1 171,-0.2 172,-0.1 172,-0.2 -0.204 65.9-147.3 -70.9 167.1 -4.6 11.4 88.5 63 63 A L - 0 0 2 169,-3.3 -36,-2.1 1,-0.3 2,-0.3 0.739 64.5 -18.5-103.0 -33.1 -0.9 11.0 89.6 64 64 A G B -F 232 0A 0 168,-1.4 168,-1.7 -38,-0.2 -1,-0.3 -0.968 38.9-141.1-163.5 178.3 0.8 9.7 86.4 65 65 A Y - 0 0 7 -41,-1.8 166,-0.2 -2,-0.3 -41,-0.2 -0.465 17.8-162.9-150.4 68.8 0.6 8.0 83.0 66 66 A P + 0 0 0 0, 0.0 164,-1.8 0, 0.0 2,-0.3 -0.366 38.9 137.9 -57.4 134.7 3.4 5.5 82.3 67 67 A E E -CG 22 229A 0 -45,-2.5 -45,-3.7 162,-0.2 2,-0.3 -0.941 49.6-129.6-163.5 175.2 3.3 5.1 78.5 68 68 A F E -CG 21 228A 0 160,-2.1 160,-2.5 -2,-0.3 2,-0.3 -0.947 30.2-170.2-138.1 158.8 5.0 4.8 75.1 69 69 A Y E -CG 20 227A 1 -49,-2.6 -49,-2.1 -2,-0.3 2,-0.4 -0.993 25.8-134.7-153.6 161.8 4.1 6.8 72.0 70 70 A Y E S+ G 0 226A 16 156,-2.2 156,-2.3 -2,-0.3 2,-0.2 -0.954 75.5 6.1-114.5 126.7 4.5 7.3 68.3 71 71 A G E S- G 0 225A 3 -2,-0.4 2,-0.6 -53,-0.3 9,-0.5 -0.599 104.5 -23.8 107.5-161.5 5.1 10.9 67.2 72 72 A Y E -S 79 0B 5 152,-2.4 7,-0.2 -2,-0.2 3,-0.1 -0.820 46.3-155.4-101.1 115.9 5.6 14.3 68.9 73 73 A K E > > -S 78 0B 11 5,-2.5 5,-1.6 -2,-0.6 3,-0.9 -0.794 9.6-153.5 -91.7 113.3 4.4 14.7 72.4 74 74 A P G > 5S+ 0 0 0 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 0.898 87.0 58.6 -53.0 -46.0 3.8 18.5 72.8 75 75 A W G 3 5S+ 0 0 86 1,-0.3 51,-0.1 2,-0.1 -2,-0.0 0.820 113.9 36.4 -59.2 -31.3 4.3 18.6 76.5 76 76 A E G < 5S- 0 0 95 -3,-0.9 -1,-0.3 2,-0.2 3,-0.1 0.210 100.4-128.5-105.7 14.0 7.8 17.2 76.4 77 77 A N T < 5 + 0 0 109 -3,-1.9 2,-0.4 -4,-0.3 -2,-0.1 0.910 66.2 139.9 41.7 51.9 8.9 18.9 73.1 78 78 A H E < +S 73 0B 48 -5,-1.6 -5,-2.5 -58,-0.0 2,-0.3 -0.957 30.6 155.7-142.1 136.2 9.8 15.4 72.1 79 79 A T E -S 72 0B 40 -2,-0.4 -7,-0.2 -7,-0.2 2,-0.1 -0.997 34.5-124.9-144.4 145.9 9.8 13.0 69.1 80 80 A A > - 0 0 6 -9,-0.5 3,-0.6 -2,-0.3 2,-0.3 -0.394 48.8 -87.4 -78.6 168.3 11.9 9.9 68.2 81 81 A E T 3 S+ 0 0 49 1,-0.2 778,-0.1 -62,-0.1 -1,-0.1 -0.564 104.5 26.8 -78.3 136.3 13.6 10.1 64.8 82 82 A G T 3 S+ 0 0 2 776,-0.6 2,-0.2 774,-0.4 -1,-0.2 0.645 74.8 141.7 93.8 9.3 11.6 8.8 61.7 83 83 A S < - 0 0 12 -3,-0.6 -1,-0.2 2,-0.2 771,-0.1 -0.638 48.5-143.4 -84.8 148.9 7.9 9.3 62.6 84 84 A K + 0 0 43 -2,-0.2 770,-0.3 769,-0.1 -1,-0.1 0.705 62.8 131.2 -81.1 -21.3 5.3 10.5 60.0 85 85 A L + 0 0 8 769,-0.1 -2,-0.2 768,-0.1 139,-0.1 -0.464 30.7 54.3 -83.7 154.8 3.6 12.5 62.8 86 86 A P S S+ 0 0 2 0, 0.0 768,-0.6 0, 0.0 138,-0.2 0.517 70.0 153.0 -76.7 150.6 2.5 15.3 63.3 87 87 A V E -H 223 0A 0 136,-1.7 136,-3.4 -2,-0.1 5,-0.1 -0.957 52.1 -89.8-136.9 159.0 0.2 15.6 60.3 88 88 A P E > -H 222 0A 19 0, 0.0 3,-1.9 0, 0.0 4,-0.5 -0.425 35.9-121.6 -64.5 144.0 -3.0 17.6 59.8 89 89 A V G > S+ 0 0 0 132,-3.4 3,-1.6 129,-0.3 131,-0.2 0.883 115.8 60.1 -52.3 -39.1 -6.1 15.7 60.8 90 90 A S G 3 S+ 0 0 37 129,-2.2 -1,-0.3 131,-0.3 130,-0.1 0.777 96.7 60.6 -61.9 -22.5 -7.3 16.2 57.2 91 91 A S G < S+ 0 0 13 -3,-1.9 165,-2.4 128,-0.2 2,-0.8 0.580 83.7 93.9 -81.8 -8.4 -4.2 14.3 56.0 92 92 A M E < +I 255 0A 0 -3,-1.6 163,-0.2 -4,-0.5 3,-0.1 -0.773 40.6 170.2 -90.9 105.8 -5.2 11.2 57.8 93 93 A K E S- 0 0 107 161,-2.9 2,-0.3 -2,-0.8 -1,-0.2 0.875 76.6 -17.0 -75.6 -41.6 -7.1 8.8 55.6 94 94 A S E -I 254 0A 18 160,-1.1 160,-2.5 105,-0.0 -1,-0.4 -0.972 53.4-162.8-157.4 155.0 -6.8 6.0 58.2 95 95 A F E -I 253 0A 0 -2,-0.3 103,-2.7 158,-0.2 2,-0.4 -0.732 15.5-166.7-147.8 91.9 -4.7 5.3 61.2 96 96 A S E -IJ 252 197A 20 156,-2.1 156,-2.2 -2,-0.3 2,-0.4 -0.660 4.7-173.9 -88.6 134.6 -4.8 1.7 62.3 97 97 A V E -IJ 251 196A 0 99,-2.6 99,-2.3 -2,-0.4 2,-0.4 -0.985 2.9-179.1-128.0 134.4 -3.4 0.7 65.7 98 98 A E E +IJ 250 195A 34 152,-2.4 152,-1.8 -2,-0.4 2,-0.3 -0.997 10.3 153.9-136.0 134.8 -3.0 -2.8 67.0 99 99 A V E - 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