==== 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 3AMM . 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 . 516 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21532.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 371 71.9 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 45.3 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 9.7 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 . 22 4.3 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 93 0, 0.0 2,-0.5 0, 0.0 39,-0.2 0.000 360.0 360.0 360.0 124.0 31.5 -9.9 57.6 2 2 A V E +A 39 0A 29 37,-2.6 37,-2.5 8,-0.1 2,-0.4 -0.945 360.0 174.8-111.9 131.3 34.9 -9.3 56.1 3 3 A L E +A 38 0A 12 -2,-0.5 2,-0.4 35,-0.2 35,-0.2 -0.983 3.3 177.5-137.6 123.6 37.6 -7.2 58.0 4 4 A M E +A 37 0A 17 33,-2.5 33,-2.8 -2,-0.4 4,-0.1 -0.990 12.7 175.1-124.3 138.8 41.2 -6.6 57.0 5 5 A T S S+ 0 0 24 -2,-0.4 30,-0.5 31,-0.2 -1,-0.1 0.093 71.0 44.3-127.9 19.0 43.6 -4.5 58.8 6 6 A K S S- 0 0 153 28,-0.1 17,-0.2 31,-0.1 31,-0.1 -0.952 106.3 -67.9-151.3 158.9 46.8 -5.2 56.7 7 7 A P S S+ 0 0 66 0, 0.0 2,-0.3 0, 0.0 17,-0.2 -0.212 81.2 107.2 -53.0 136.0 47.3 -5.3 52.9 8 8 A G E -B 23 0A 30 15,-0.8 15,-2.4 -4,-0.1 2,-0.4 -0.961 59.9-100.5 171.5 178.0 45.5 -8.3 51.4 9 9 A T E +B 22 0A 53 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.979 27.4 178.8-127.4 136.3 42.6 -9.5 49.3 10 10 A S E -B 21 0A 35 11,-2.3 11,-3.3 -2,-0.4 2,-0.3 -0.996 19.9-137.0-135.1 142.8 39.3 -11.1 50.4 11 11 A D E +B 20 0A 69 -2,-0.3 2,-0.3 9,-0.2 9,-0.3 -0.648 29.8 163.9 -94.7 154.4 36.4 -12.3 48.3 12 12 A F E -B 19 0A 15 7,-2.6 7,-3.1 -2,-0.3 2,-0.4 -0.931 33.4-120.7-155.7 177.4 32.8 -11.5 49.2 13 13 A V E -B 18 0A 93 -2,-0.3 2,-0.4 5,-0.2 28,-0.0 -1.000 25.1-176.8-130.2 128.7 29.3 -11.5 47.8 14 14 A W E > S-B 17 0A 4 3,-2.8 3,-2.2 -2,-0.4 28,-0.1 -0.988 72.7 -15.8-133.4 121.9 27.2 -8.3 47.8 15 15 A N T 3 S- 0 0 104 -2,-0.4 -1,-0.1 26,-0.3 27,-0.0 0.884 130.7 -52.7 52.4 40.4 23.6 -8.2 46.5 16 16 A G T 3 S+ 0 0 69 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.379 113.8 122.4 79.7 -1.1 24.3 -11.6 44.9 17 17 A I E < -B 14 0A 24 -3,-2.2 -3,-2.8 66,-0.0 2,-0.4 -0.835 61.0-132.2-102.1 125.6 27.4 -10.3 43.1 18 18 A P E +B 13 0A 25 0, 0.0 53,-0.3 0, 0.0 2,-0.3 -0.616 40.8 163.4 -75.8 128.9 30.8 -12.1 43.6 19 19 A L E -B 12 0A 1 -7,-3.1 -7,-2.6 -2,-0.4 2,-0.4 -0.884 32.0-137.0-142.3 167.8 33.5 -9.5 44.3 20 20 A S E -BC 11 69A 1 49,-2.2 49,-2.7 -2,-0.3 2,-0.4 -0.965 11.7-157.4-127.5 145.0 37.0 -9.0 45.7 21 21 A M E -BC 10 68A 0 -11,-3.3 -11,-2.3 -2,-0.4 2,-0.4 -0.981 8.0-165.3-122.5 137.7 38.2 -6.3 48.0 22 22 A E E -BC 9 67A 13 45,-2.8 45,-2.1 -2,-0.4 2,-1.9 -0.979 22.1-149.6-127.9 122.1 41.8 -5.4 48.2 23 23 A L E -B 8 0A 1 -15,-2.4 -15,-0.8 -2,-0.4 2,-0.8 -0.700 40.7-168.7 -83.9 86.9 43.4 -3.3 50.9 24 24 A N + 0 0 3 -2,-1.9 41,-2.5 -17,-0.2 3,-0.1 -0.773 36.5 154.8 -99.0 105.6 45.8 -2.3 48.2 25 25 A L > + 0 0 13 -2,-0.8 3,-2.3 39,-0.2 39,-0.1 -0.357 21.2 155.8-117.9 47.5 49.0 -0.3 49.3 26 26 A W T 3 + 0 0 82 1,-0.3 38,-0.2 30,-0.0 -1,-0.1 0.692 69.0 38.1 -53.1 -31.5 50.9 -1.5 46.2 27 27 A N T 3 S+ 0 0 4 36,-2.0 29,-2.3 -3,-0.1 2,-0.5 0.125 89.0 109.1-109.9 20.2 53.4 1.3 46.0 28 28 A I E < - D 0 55A 11 -3,-2.3 3,-0.1 27,-0.3 -3,-0.1 -0.869 42.7-173.9 -98.8 123.2 54.1 1.8 49.7 29 29 A K E S- 0 0 139 25,-2.8 2,-0.3 -2,-0.5 -1,-0.2 0.898 71.8 -9.3 -79.4 -45.0 57.5 0.6 50.9 30 30 A E E + D 0 54A 105 24,-1.0 24,-1.2 22,-0.1 -1,-0.3 -0.993 63.5 170.0-153.9 152.9 56.8 1.2 54.5 31 31 A Y E - 0 0 76 -2,-0.3 2,-0.3 22,-0.2 21,-0.2 -0.981 17.0-151.3-156.0 160.1 54.2 2.8 56.8 32 32 A S E + D 0 51A 38 19,-2.4 19,-2.3 -2,-0.3 2,-0.2 -0.861 60.3 48.5-124.0 165.9 53.2 3.0 60.5 33 33 A G E S- D 0 50A 42 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.696 86.7 -47.5 105.8-158.5 49.6 3.6 61.8 34 34 A S E + D 0 49A 14 15,-2.1 15,-2.4 -2,-0.2 2,-0.3 -0.919 34.0 179.3-125.1 148.3 46.3 1.8 60.9 35 35 A V E + D 0 48A 1 -30,-0.5 2,-0.3 -2,-0.3 13,-0.2 -0.982 9.7 179.1-138.1 144.8 44.3 0.7 57.9 36 36 A A E - D 0 47A 8 11,-2.2 11,-2.1 -2,-0.3 2,-0.4 -0.958 8.3-176.9-149.5 130.5 41.0 -1.0 58.0 37 37 A M E -AD 4 46A 0 -33,-2.8 -33,-2.5 -2,-0.3 2,-0.4 -0.990 15.6-179.9-127.3 135.2 38.7 -2.2 55.2 38 38 A K E -AD 3 45A 24 7,-2.5 7,-2.6 -2,-0.4 2,-0.5 -0.998 23.7-167.0-141.6 138.6 35.4 -3.8 56.1 39 39 A F E +AD 2 44A 14 -37,-2.5 -37,-2.6 -2,-0.4 5,-0.2 -0.996 10.1 176.3-118.8 127.3 32.4 -5.4 54.3 40 40 A D - 0 0 63 3,-1.9 4,-0.1 -2,-0.5 -1,-0.1 0.249 60.4 -92.2-114.4 16.4 29.4 -5.8 56.6 41 41 A G S S+ 0 0 45 2,-0.3 -26,-0.3 -39,-0.1 3,-0.1 0.022 122.9 49.1 97.4 -26.9 26.8 -7.1 54.1 42 42 A E S S+ 0 0 93 1,-0.3 206,-0.5 -28,-0.1 2,-0.3 0.681 117.2 7.9-114.0 -30.3 25.4 -3.6 53.4 43 43 A K E - E 0 247A 34 204,-0.1 -3,-1.9 205,-0.1 2,-0.4 -0.973 56.9-130.8-151.7 160.6 28.5 -1.5 52.7 44 44 A I E -DE 39 246A 0 202,-2.0 202,-2.7 -2,-0.3 2,-0.3 -0.964 30.4-175.2-113.7 133.3 32.2 -1.5 52.2 45 45 A T E -DE 38 245A 7 -7,-2.6 -7,-2.5 -2,-0.4 2,-0.4 -0.941 9.8-171.5-129.6 152.1 34.3 1.0 54.2 46 46 A F E +DE 37 244A 0 198,-2.3 198,-2.3 -2,-0.3 2,-0.3 -0.996 6.2 176.8-140.8 139.3 37.9 1.8 54.2 47 47 A D E -DE 36 243A 12 -11,-2.1 -11,-2.2 -2,-0.4 2,-0.4 -0.996 2.9-176.3-143.0 143.1 39.8 4.1 56.6 48 48 A A E +DE 35 242A 6 194,-2.8 194,-1.6 -2,-0.3 -13,-0.2 -0.996 18.1 170.6-139.4 147.0 43.5 5.0 57.0 49 49 A D E +DE 34 241A 39 -15,-2.4 -15,-2.1 -2,-0.4 2,-0.3 -0.708 34.5 156.5-150.1 84.7 45.5 7.0 59.4 50 50 A I E +DE 33 240A 0 190,-2.6 190,-2.8 -17,-0.2 -17,-0.2 -0.886 17.7 177.1-122.0 154.9 49.1 6.3 58.4 51 51 A Q E +D 32 0A 67 -19,-2.3 -19,-2.4 -2,-0.3 188,-0.2 -0.757 56.2 53.8-139.4-176.1 52.5 7.9 58.8 52 52 A N E S+ 0 0 100 186,-0.3 2,-0.2 -2,-0.2 187,-0.2 0.859 75.4 174.6 51.7 41.7 56.2 7.4 58.0 53 53 A L E + 0 0 1 185,-2.4 -1,-0.2 -3,-0.1 -22,-0.2 -0.532 16.2 167.1 -82.7 141.6 55.3 6.7 54.4 54 54 A S E -D 30 0A 26 -24,-1.2 -25,-2.8 -2,-0.2 -24,-1.0 -0.982 31.9-118.4-146.0 146.8 57.8 6.2 51.6 55 55 A P E -D 28 0A 27 0, 0.0 -27,-0.3 0, 0.0 8,-0.1 -0.463 5.6-139.9 -82.0 153.8 57.0 4.9 48.1 56 56 A K S S+ 0 0 138 -29,-2.3 -28,-0.1 1,-0.3 -29,-0.1 0.922 100.7 11.5 -74.2 -42.6 58.5 1.7 46.6 57 57 A E > - 0 0 82 -30,-0.4 3,-2.0 1,-0.1 4,-0.3 -0.845 65.1-166.3-135.9 101.7 58.9 3.5 43.3 58 58 A P G > S+ 0 0 70 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.738 85.7 71.9 -61.5 -18.4 58.5 7.3 43.2 59 59 A E G 3 S+ 0 0 170 1,-0.3 3,-0.1 2,-0.1 -2,-0.0 0.772 90.8 58.2 -67.9 -22.9 58.3 7.2 39.4 60 60 A R G < S- 0 0 99 -3,-2.0 2,-2.4 1,-0.2 -1,-0.3 0.523 94.8-156.2 -82.3 -6.5 54.8 5.6 39.7 61 61 A Y < + 0 0 107 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.1 -0.318 58.9 76.4 69.0 -64.0 53.7 8.7 41.7 62 62 A V - 0 0 10 -2,-2.4 171,-0.2 172,-0.1 172,-0.2 -0.330 65.4-146.7 -78.1 166.3 50.8 7.4 43.8 63 63 A L - 0 0 1 169,-2.9 -36,-2.0 1,-0.2 2,-0.3 0.721 64.8 -15.0-102.2 -33.9 51.1 5.2 46.9 64 64 A G B -F 232 0A 0 168,-1.4 168,-1.7 -38,-0.2 -1,-0.2 -0.973 37.8-143.2-162.2 178.3 48.0 3.0 46.8 65 65 A Y - 0 0 7 -41,-2.5 166,-0.2 -2,-0.3 -40,-0.1 -0.433 15.9-166.4-153.6 66.6 44.6 2.1 45.6 66 66 A P + 0 0 0 0, 0.0 164,-1.9 0, 0.0 2,-0.3 -0.434 38.4 139.1 -57.1 131.1 42.2 0.5 48.2 67 67 A E E -CG 22 229A 0 -45,-2.1 -45,-2.8 162,-0.2 2,-0.3 -0.944 49.6-130.1-161.5 174.5 39.4 -0.9 46.1 68 68 A F E -CG 21 228A 1 160,-2.5 160,-2.8 -2,-0.3 2,-0.3 -0.939 31.1-167.5-133.9 157.8 36.9 -3.6 45.4 69 69 A Y E -CG 20 227A 0 -49,-2.7 -49,-2.2 -2,-0.3 2,-0.5 -0.988 24.2-136.4-149.7 160.0 36.4 -5.2 42.0 70 70 A Y E S- G 0 226A 11 156,-2.3 156,-2.0 -2,-0.3 2,-0.2 -0.965 74.6 -0.3-112.7 124.2 34.3 -7.4 39.8 71 71 A G E S- G 0 225A 3 -2,-0.5 2,-0.6 -53,-0.3 9,-0.4 -0.635 105.2 -16.2 102.4-159.3 36.2 -9.9 37.7 72 72 A Y - 0 0 5 152,-2.4 7,-0.2 -2,-0.2 3,-0.1 -0.806 45.2-158.7-101.5 112.6 39.8 -10.8 37.1 73 73 A K B >>> -S 78 0B 12 5,-2.4 5,-1.5 -2,-0.6 3,-1.2 -0.808 10.0-155.5 -89.0 111.3 42.6 -8.4 38.2 74 74 A P G >45S+ 0 0 0 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.880 87.4 57.8 -55.2 -47.0 45.6 -9.3 36.1 75 75 A W G 345S+ 0 0 93 1,-0.3 51,-0.1 2,-0.1 -2,-0.0 0.733 115.3 36.9 -59.3 -24.3 48.2 -8.0 38.4 76 76 A E G <45S- 0 0 95 -3,-1.2 -1,-0.3 2,-0.2 3,-0.1 0.389 100.2-132.8-107.0 2.7 47.0 -10.2 41.2 77 77 A N T <<5 + 0 0 102 -3,-1.6 2,-0.4 -4,-0.6 -2,-0.1 0.915 65.4 131.2 48.0 49.1 46.1 -13.2 39.0 78 78 A H B < +S 73 0B 48 -5,-1.5 -5,-2.4 2,-0.0 2,-0.3 -0.989 32.9 159.4-144.4 137.3 42.8 -13.3 40.8 79 79 A T - 0 0 47 -2,-0.4 -7,-0.2 -7,-0.2 2,-0.1 -0.975 36.9-119.7-146.2 143.8 39.1 -13.5 40.4 80 80 A A > - 0 0 6 -9,-0.4 3,-1.0 -2,-0.3 2,-0.1 -0.479 47.9 -92.7 -72.8 153.0 36.3 -14.5 42.7 81 81 A E T 3 S+ 0 0 191 1,-0.2 -1,-0.1 -2,-0.1 -10,-0.0 -0.408 104.8 33.1 -70.3 143.8 34.3 -17.4 41.5 82 82 A G T 3 S+ 0 0 51 1,-0.3 -1,-0.2 -2,-0.1 2,-0.2 0.476 75.8 142.5 98.8 -0.4 31.2 -16.7 39.4 83 83 A S < - 0 0 23 -3,-1.0 -1,-0.3 1,-0.1 -64,-0.1 -0.500 49.7-142.2 -73.6 145.1 32.2 -13.5 37.6 84 84 A K + 0 0 144 -2,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.680 64.3 122.7 -77.8 -17.1 31.0 -13.1 34.0 85 85 A L + 0 0 7 139,-0.1 139,-0.1 2,-0.0 2,-0.1 -0.647 29.3 58.4 -93.4 159.8 34.4 -11.4 33.2 86 86 A P + 0 0 5 0, 0.0 138,-0.2 0, 0.0 37,-0.1 0.446 69.3 150.6 -74.5 151.9 36.8 -11.6 31.4 87 87 A V E -H 223 0A 16 136,-1.5 136,-3.1 -2,-0.1 5,-0.1 -0.977 53.2 -91.3-142.1 152.5 35.0 -11.3 28.1 88 88 A P E > -H 222 0A 46 0, 0.0 3,-1.3 0, 0.0 4,-0.5 -0.390 35.4-122.3 -60.8 145.1 36.1 -9.9 24.7 89 89 A V G > S+ 0 0 0 132,-2.9 3,-1.9 1,-0.3 131,-0.2 0.909 111.1 61.5 -53.6 -41.9 35.3 -6.1 24.4 90 90 A S G 3 S+ 0 0 68 129,-2.3 -1,-0.3 1,-0.3 130,-0.1 0.771 97.9 56.7 -60.2 -26.8 33.3 -6.9 21.2 91 91 A S G < S+ 0 0 37 -3,-1.3 2,-0.8 128,-0.2 -1,-0.3 0.599 84.3 97.5 -83.2 -6.6 30.9 -9.2 23.1 92 92 A M < + 0 0 2 -3,-1.9 163,-0.2 -4,-0.5 3,-0.1 -0.711 41.0 172.8 -85.6 111.3 29.9 -6.4 25.6 93 93 A K S S- 0 0 163 161,-2.7 2,-0.3 -2,-0.8 -1,-0.2 0.883 72.2 -21.3 -81.1 -41.0 26.6 -4.8 24.5 94 94 A S E -I 254 0A 26 160,-1.4 160,-3.3 105,-0.1 -1,-0.4 -0.975 50.7-163.1-164.2 155.1 26.4 -2.7 27.7 95 95 A F E -I 253 0A 0 -2,-0.3 103,-3.1 158,-0.2 2,-0.4 -0.792 13.5-166.1-148.3 94.7 27.7 -2.7 31.2 96 96 A S E -IJ 252 197A 30 156,-2.4 156,-2.0 -2,-0.3 2,-0.4 -0.716 4.8-172.5 -87.3 136.3 25.9 -0.5 33.7 97 97 A V E -IJ 251 196A 0 99,-2.3 99,-1.8 -2,-0.4 2,-0.4 -0.995 3.0-177.7-128.4 134.5 27.6 0.1 37.0 98 98 A E E +IJ 250 195A 35 152,-2.6 152,-2.1 -2,-0.4 2,-0.3 -0.996 10.3 153.7-135.5 138.0 25.9 1.9 39.9 99 99 A V E - 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