==== 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 3AMH . 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 . 517 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21573.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 375 72.5 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 . 235 45.5 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 . 55 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 7.7 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 . 6 6 6 0 2 0 7 1 2 2 2 2 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 0 108 0, 0.0 2,-0.5 0, 0.0 39,-0.2 0.000 360.0 360.0 360.0 124.3 30.7 -10.0 57.5 2 2 A V E +A 39 0A 29 37,-2.0 37,-2.1 8,-0.0 2,-0.4 -0.847 360.0 174.0-100.2 128.3 34.1 -9.2 56.0 3 3 A L E +A 38 0A 18 -2,-0.5 2,-0.4 35,-0.2 35,-0.2 -0.990 2.6 175.4-135.1 123.5 36.7 -7.2 58.1 4 4 A M E +A 37 0A 16 33,-2.5 33,-2.5 -2,-0.4 4,-0.1 -0.994 14.6 173.5-127.3 139.8 40.3 -6.6 57.0 5 5 A T S S+ 0 0 20 -2,-0.4 30,-0.4 31,-0.2 -1,-0.1 0.169 70.8 47.7-127.7 10.6 42.8 -4.5 58.9 6 6 A K S S- 0 0 138 31,-0.1 17,-0.2 28,-0.1 31,-0.1 -0.967 103.8 -70.7-145.1 160.7 45.9 -5.2 56.8 7 7 A P S S+ 0 0 67 0, 0.0 2,-0.3 0, 0.0 17,-0.2 -0.195 81.7 103.1 -50.3 133.2 46.6 -5.2 53.0 8 8 A G E -B 23 0A 30 15,-1.2 15,-2.7 -4,-0.1 2,-0.4 -0.977 61.3-100.8 171.6-177.6 44.8 -8.2 51.4 9 9 A T E +B 22 0A 53 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.990 25.1 179.3-134.8 135.8 41.9 -9.4 49.3 10 10 A S E -B 21 0A 36 11,-2.1 11,-2.7 -2,-0.4 2,-0.2 -0.995 21.3-136.0-131.9 142.3 38.6 -11.1 50.4 11 11 A D E +B 20 0A 74 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.576 31.8 162.2 -92.6 158.5 35.8 -12.3 48.1 12 12 A F E -B 19 0A 16 7,-2.5 7,-3.2 -2,-0.2 2,-0.4 -0.947 33.8-118.2-160.8 175.9 32.2 -11.6 49.0 13 13 A V E -B 18 0A 91 -2,-0.3 2,-0.4 5,-0.2 3,-0.0 -0.996 24.6-178.0-128.9 132.9 28.7 -11.5 47.5 14 14 A W E > S-B 17 0A 4 3,-2.5 3,-2.0 -2,-0.4 28,-0.1 -0.977 72.7 -13.9-137.6 119.8 26.6 -8.4 47.5 15 15 A N T 3 S- 0 0 107 -2,-0.4 -1,-0.1 1,-0.3 27,-0.0 0.908 130.2 -53.5 56.5 43.1 23.0 -8.2 46.1 16 16 A G T 3 S+ 0 0 69 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.431 113.1 122.0 73.8 0.9 23.7 -11.5 44.4 17 17 A I E < -B 14 0A 20 -3,-2.0 -3,-2.5 66,-0.0 2,-0.4 -0.833 61.0-132.6-102.7 129.7 26.9 -10.3 42.7 18 18 A P E +B 13 0A 26 0, 0.0 53,-0.4 0, 0.0 2,-0.3 -0.686 41.1 164.7 -79.0 128.4 30.2 -12.1 43.4 19 19 A L E -B 12 0A 1 -7,-3.2 -7,-2.5 -2,-0.4 2,-0.4 -0.887 33.1-134.6-142.2 163.2 32.9 -9.5 44.1 20 20 A S E -BC 11 69A 1 49,-2.5 49,-2.8 -2,-0.3 2,-0.5 -0.946 12.9-159.5-119.1 142.5 36.4 -9.0 45.5 21 21 A M E -BC 10 68A 0 -11,-2.7 -11,-2.1 -2,-0.4 2,-0.5 -0.983 8.1-164.1-121.0 135.8 37.4 -6.3 47.9 22 22 A E E -BC 9 67A 14 45,-2.9 45,-2.1 -2,-0.5 2,-1.7 -0.976 22.1-149.1-123.3 124.1 41.1 -5.4 48.1 23 23 A L E -B 8 0A 1 -15,-2.7 -15,-1.2 -2,-0.5 2,-0.8 -0.754 40.8-167.8 -87.1 90.4 42.6 -3.3 51.0 24 24 A N + 0 0 5 -2,-1.7 41,-2.3 -17,-0.2 3,-0.1 -0.774 38.9 150.3 -98.7 98.7 45.1 -2.1 48.3 25 25 A L > + 0 0 12 -2,-0.8 3,-2.3 39,-0.2 39,-0.1 -0.330 24.5 151.8-114.4 43.4 48.2 -0.2 49.5 26 26 A W T 3 + 0 0 86 1,-0.3 38,-0.2 29,-0.0 -1,-0.1 0.731 68.0 41.3 -51.7 -33.0 50.2 -1.4 46.4 27 27 A N T 3 S+ 0 0 3 36,-2.1 29,-1.8 -3,-0.1 2,-0.6 0.141 89.9 106.0-104.5 20.9 52.6 1.4 46.1 28 28 A I E < - D 0 55A 10 -3,-2.3 3,-0.1 27,-0.3 -3,-0.1 -0.882 42.9-175.3-104.8 121.8 53.3 1.9 49.8 29 29 A K E S- 0 0 153 25,-2.7 2,-0.3 -2,-0.6 -1,-0.2 0.900 71.1 -3.8 -79.6 -41.2 56.7 0.7 51.1 30 30 A E E + D 0 54A 70 24,-1.0 24,-1.0 22,-0.0 -1,-0.3 -0.999 64.5 159.4-152.6 153.0 56.1 1.5 54.7 31 31 A Y E - 0 0 76 -2,-0.3 2,-0.3 22,-0.2 21,-0.2 -0.979 19.7-151.0-164.6 161.3 53.5 3.0 57.0 32 32 A S E + D 0 51A 43 19,-2.0 19,-1.9 -2,-0.3 2,-0.3 -0.817 58.4 53.1-127.8 169.4 52.3 3.1 60.6 33 33 A G E S- D 0 50A 39 -2,-0.3 2,-0.4 17,-0.2 17,-0.3 -0.707 85.8 -49.5 106.6-153.5 48.8 3.8 61.9 34 34 A S E + D 0 49A 16 15,-2.4 15,-3.0 -2,-0.3 2,-0.3 -0.948 35.0 177.9-133.3 149.0 45.5 2.0 61.0 35 35 A V E + D 0 48A 1 -30,-0.4 2,-0.3 -2,-0.4 13,-0.2 -0.976 10.9 177.5-140.0 147.0 43.5 0.9 58.0 36 36 A A E - D 0 47A 8 11,-1.9 11,-2.2 -2,-0.3 2,-0.4 -0.977 8.6-175.5-154.2 133.6 40.2 -1.0 58.0 37 37 A M E +AD 4 46A 0 -33,-2.5 -33,-2.5 -2,-0.3 2,-0.3 -0.993 13.3 178.9-132.2 142.6 37.8 -2.2 55.3 38 38 A K E -AD 3 45A 22 7,-2.2 7,-2.6 -2,-0.4 2,-0.4 -0.998 22.5-165.2-149.4 144.1 34.5 -3.8 56.0 39 39 A F E +AD 2 44A 16 -37,-2.1 -37,-2.0 -2,-0.3 5,-0.2 -1.000 10.0 177.8-127.2 125.3 31.5 -5.3 54.1 40 40 A D - 0 0 63 3,-2.1 4,-0.1 -2,-0.4 -1,-0.1 0.239 59.5 -91.2-117.0 19.2 28.5 -5.8 56.3 41 41 A G S S+ 0 0 45 2,-0.3 -26,-0.3 -39,-0.1 3,-0.1 -0.085 123.5 47.6 99.5 -30.9 26.0 -7.1 53.8 42 42 A E S S+ 0 0 92 1,-0.3 206,-0.5 -28,-0.1 2,-0.3 0.639 118.1 7.7-113.0 -25.4 24.6 -3.6 53.1 43 43 A K E - E 0 247A 29 204,-0.1 -3,-2.1 205,-0.1 2,-0.4 -0.992 55.1-133.2-154.2 163.8 27.7 -1.5 52.5 44 44 A I E -DE 39 246A 0 202,-2.0 202,-2.7 -2,-0.3 2,-0.3 -0.971 28.6-176.9-119.6 132.6 31.5 -1.4 52.1 45 45 A T E -DE 38 245A 8 -7,-2.6 -7,-2.2 -2,-0.4 2,-0.4 -0.922 9.3-168.3-130.0 158.7 33.5 1.1 54.1 46 46 A F E +DE 37 244A 0 198,-2.1 198,-2.2 -2,-0.3 2,-0.3 -0.993 6.3 178.5-146.0 136.6 37.1 2.0 54.2 47 47 A D E -DE 36 243A 14 -11,-2.2 -11,-1.9 -2,-0.4 2,-0.4 -0.998 3.0-174.4-142.3 140.4 39.0 4.1 56.6 48 48 A A E +DE 35 242A 5 194,-2.6 194,-1.6 -2,-0.3 -13,-0.2 -0.998 16.6 170.1-136.0 140.6 42.6 5.0 56.9 49 49 A D E +DE 34 241A 39 -15,-3.0 -15,-2.4 -2,-0.4 2,-0.3 -0.697 33.7 154.8-144.0 85.3 44.6 7.0 59.5 50 50 A I E +DE 33 240A 1 190,-2.5 190,-3.0 -17,-0.3 -17,-0.2 -0.887 19.7 177.5-125.1 151.0 48.2 6.4 58.5 51 51 A Q E +D 32 0A 66 -19,-1.9 -19,-2.0 -2,-0.3 188,-0.2 -0.691 57.5 51.5-133.9-177.4 51.6 8.1 58.9 52 52 A N E S+ 0 0 100 -2,-0.2 2,-0.2 -21,-0.2 187,-0.2 0.849 74.7 171.8 52.9 36.9 55.3 7.5 58.1 53 53 A L E + 0 0 1 185,-2.8 -22,-0.2 -3,-0.1 -1,-0.2 -0.520 15.6 166.2 -80.9 146.2 54.4 6.8 54.5 54 54 A S E -D 30 0A 32 -24,-1.0 -25,-2.7 -2,-0.2 -24,-1.0 -0.971 32.7-114.5-150.3 147.0 56.9 6.4 51.6 55 55 A P E -D 28 0A 26 0, 0.0 -27,-0.3 0, 0.0 8,-0.1 -0.505 3.7-141.9 -81.7 153.9 56.3 4.9 48.1 56 56 A K S S+ 0 0 139 -29,-1.8 -28,-0.1 1,-0.3 -29,-0.1 0.886 100.2 10.4 -74.2 -41.9 57.7 1.7 46.6 57 57 A E > - 0 0 80 -30,-0.4 3,-2.1 1,-0.1 4,-0.3 -0.848 63.4-164.8-141.0 101.2 58.1 3.5 43.3 58 58 A P G > S+ 0 0 69 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.775 85.6 74.4 -59.1 -22.7 57.6 7.3 43.1 59 59 A E G 3 S+ 0 0 168 1,-0.3 3,-0.1 2,-0.1 -2,-0.0 0.731 88.9 58.9 -62.2 -21.8 57.3 7.0 39.4 60 60 A R G < S- 0 0 103 -3,-2.1 2,-2.6 1,-0.2 -1,-0.3 0.492 92.8-155.5 -83.2 -6.9 53.7 5.5 39.8 61 61 A Y < + 0 0 115 -3,-1.9 -1,-0.2 -4,-0.3 175,-0.1 -0.307 61.6 76.9 68.6 -65.4 52.7 8.7 41.6 62 62 A V - 0 0 9 -2,-2.6 171,-0.2 172,-0.1 172,-0.2 -0.347 66.0-147.9 -77.0 161.8 49.8 7.4 43.8 63 63 A L - 0 0 0 169,-2.5 -36,-2.1 1,-0.2 2,-0.3 0.801 67.3 -12.6 -97.8 -32.3 50.3 5.3 47.0 64 64 A G B -F 232 0A 0 168,-1.4 168,-1.8 -38,-0.2 -1,-0.2 -0.958 40.3-146.8-160.7 175.5 47.3 3.0 47.0 65 65 A Y - 0 0 5 -41,-2.3 166,-0.2 -2,-0.3 -40,-0.1 -0.451 15.6-165.8-150.2 66.3 43.8 2.2 45.6 66 66 A P + 0 0 0 0, 0.0 164,-1.8 0, 0.0 2,-0.3 -0.411 37.9 137.3 -55.5 139.1 41.5 0.6 48.2 67 67 A E E -CG 22 229A 0 -45,-2.1 -45,-2.9 162,-0.2 2,-0.3 -0.947 50.2-128.1-166.3 174.5 38.6 -0.8 46.1 68 68 A F E -CG 21 228A 1 160,-2.1 160,-2.7 -2,-0.3 2,-0.3 -0.942 31.4-166.3-134.3 156.5 36.2 -3.6 45.3 69 69 A Y E -CG 20 227A 1 -49,-2.8 -49,-2.5 -2,-0.3 2,-0.4 -0.998 23.9-137.7-148.0 160.8 35.8 -5.2 41.9 70 70 A Y E S- G 0 226A 11 156,-2.4 156,-2.1 -2,-0.3 2,-0.2 -0.934 74.3 -0.3-111.3 125.9 33.8 -7.4 39.6 71 71 A G E S- G 0 225A 3 -2,-0.4 2,-0.7 -53,-0.4 9,-0.5 -0.587 103.9 -17.1 102.2-158.9 35.7 -9.8 37.4 72 72 A Y - 0 0 6 152,-2.6 7,-0.2 -2,-0.2 -2,-0.1 -0.801 43.9-158.6-105.3 112.6 39.3 -10.6 36.9 73 73 A K B >>> -S 78 0B 11 5,-2.3 5,-1.6 -2,-0.7 3,-1.3 -0.787 8.9-156.8 -86.9 110.7 42.1 -8.3 38.0 74 74 A P G >45S+ 0 0 1 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.919 87.5 56.6 -55.6 -49.0 45.1 -9.2 35.9 75 75 A W G 345S+ 0 0 86 1,-0.3 51,-0.1 2,-0.1 -2,-0.0 0.681 115.9 38.3 -59.4 -16.7 47.8 -7.8 38.3 76 76 A E G <45S- 0 0 87 -3,-1.3 -1,-0.3 2,-0.2 3,-0.1 0.493 99.9-135.1-110.0 -4.3 46.5 -10.0 41.0 77 77 A N T <<5 + 0 0 105 -3,-1.7 2,-0.4 -4,-0.9 -2,-0.1 0.898 65.1 127.4 51.9 43.5 45.7 -13.1 38.8 78 78 A H B < +S 73 0B 52 -5,-1.6 -5,-2.3 -58,-0.0 2,-0.3 -0.982 33.6 161.1-142.4 141.1 42.4 -13.2 40.7 79 79 A T - 0 0 44 -2,-0.4 -7,-0.2 -7,-0.2 2,-0.1 -0.968 38.0-117.4-147.7 142.7 38.7 -13.4 40.2 80 80 A A > - 0 0 7 -9,-0.5 3,-1.0 -2,-0.3 2,-0.1 -0.435 48.0 -95.8 -70.2 155.4 35.8 -14.5 42.5 81 81 A E T 3 S+ 0 0 188 1,-0.2 -1,-0.1 -62,-0.1 -10,-0.0 -0.460 105.4 36.6 -72.7 144.2 34.0 -17.5 41.2 82 82 A G T 3 S+ 0 0 59 1,-0.3 -1,-0.2 -2,-0.1 2,-0.1 0.394 75.4 138.8 102.9 -8.6 30.8 -16.7 39.2 83 83 A S < - 0 0 24 -3,-1.0 -1,-0.3 1,-0.1 -64,-0.1 -0.475 49.5-144.7 -72.0 144.8 31.8 -13.5 37.4 84 84 A K + 0 0 133 -2,-0.1 -1,-0.1 3,-0.0 -2,-0.0 0.615 62.3 124.1 -81.5 -13.1 30.7 -13.1 33.7 85 85 A L + 0 0 7 139,-0.1 139,-0.1 2,-0.0 2,-0.1 -0.697 29.4 60.0 -94.6 157.4 34.0 -11.3 32.9 86 86 A P + 0 0 5 0, 0.0 138,-0.2 0, 0.0 37,-0.1 0.436 69.3 150.8 -75.6 156.6 36.4 -11.4 31.2 87 87 A V E -H 223 0A 17 136,-1.4 136,-3.5 -2,-0.1 5,-0.1 -0.969 52.8 -87.7-145.1 154.9 34.6 -11.1 27.8 88 88 A P E >> -H 222 0A 44 0, 0.0 3,-0.9 0, 0.0 4,-0.6 -0.398 34.3-126.4 -64.2 142.1 35.6 -9.7 24.4 89 89 A V G >4 S+ 0 0 0 132,-2.8 3,-1.9 1,-0.3 131,-0.2 0.934 110.6 58.7 -52.2 -45.2 34.9 -6.0 24.2 90 90 A S G 34 S+ 0 0 63 129,-2.5 -1,-0.3 131,-0.3 130,-0.1 0.795 99.1 57.5 -59.5 -28.8 33.0 -6.7 21.0 91 91 A S G <4 S+ 0 0 18 -3,-0.9 165,-4.3 128,-0.2 2,-0.9 0.624 84.1 97.7 -80.0 -7.1 30.6 -9.1 22.8 92 92 A M E << +I 255 0A 2 -3,-1.9 163,-0.2 -4,-0.6 3,-0.1 -0.684 41.5 173.5 -87.1 107.9 29.5 -6.4 25.3 93 93 A K E S- 0 0 129 161,-2.1 2,-0.3 -2,-0.9 -1,-0.2 0.903 72.1 -21.0 -76.7 -43.1 26.2 -4.7 24.2 94 94 A S E -I 254 0A 25 160,-1.4 160,-2.8 105,-0.1 -1,-0.3 -0.975 50.6-163.7-160.6 160.5 25.9 -2.7 27.4 95 95 A F E -I 253 0A 0 -2,-0.3 103,-3.1 158,-0.2 2,-0.3 -0.723 14.1-166.5-155.6 95.8 27.2 -2.7 30.9 96 96 A S E -IJ 252 197A 27 156,-2.5 156,-2.1 101,-0.2 2,-0.4 -0.706 4.5-173.2 -88.8 141.2 25.4 -0.6 33.5 97 97 A V E -IJ 251 196A 0 99,-2.0 99,-1.8 -2,-0.3 2,-0.4 -0.994 3.3-179.6-136.4 137.1 26.9 0.1 36.8 98 98 A E E +IJ 250 195A 35 152,-2.5 152,-2.1 -2,-0.4 2,-0.3 -0.999 12.3 147.1-138.4 137.6 25.3 1.9 39.7 99 99 A V E - 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