==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-DEC-07 2ZEY . COMPND 2 MOLECULE: S-LAYER ASSOCIATED MULTIDOMAIN ENDOGLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOANAEROBACTERIUM POLYSACCHAROLYTI . AUTHOR S.K.NAIR,B.BAE . 289 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12881.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 61.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 117 40.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 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 . 28 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), 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 . 0 0.0 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 0 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 0 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 . 3 2 3 2 1 3 0 6 0 0 0 0 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 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 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 2 A H 0 0 128 0, 0.0 144,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 92.6 13.3 -7.8 3.2 2 3 A M + 0 0 175 142,-0.5 2,-0.4 1,-0.3 143,-0.1 0.579 360.0 24.7-119.2 -69.8 9.7 -7.1 4.3 3 4 A V - 0 0 93 141,-0.3 2,-0.6 2,-0.0 141,-0.5 -0.896 67.0-137.7-110.0 131.5 8.3 -9.6 6.9 4 5 A N B -A 143 0A 53 -2,-0.4 139,-0.2 139,-0.1 137,-0.1 -0.781 8.5-162.3 -87.0 120.3 10.3 -11.7 9.3 5 6 A M + 0 0 62 137,-3.3 2,-0.4 -2,-0.6 -1,-0.1 0.602 62.4 98.6 -73.9 -17.6 9.0 -15.3 9.6 6 7 A V S S- 0 0 7 136,-0.3 2,-0.3 134,-0.2 136,-0.1 -0.632 70.2-138.3 -81.3 125.5 10.8 -15.9 12.8 7 8 A S S S+ 0 0 62 -2,-0.4 4,-0.1 1,-0.2 -2,-0.1 -0.642 87.3 3.9 -77.8 142.4 8.6 -15.6 16.0 8 9 A N S > S+ 0 0 17 -2,-0.3 3,-1.4 1,-0.1 -1,-0.2 0.917 82.0 173.0 49.9 52.6 10.4 -13.8 18.9 9 10 A P T 3 S+ 0 0 43 0, 0.0 131,-2.3 0, 0.0 -1,-0.1 0.648 72.4 40.6 -72.8 -16.7 13.4 -13.2 16.6 10 11 A G T 3 S- 0 0 7 129,-0.2 27,-0.3 128,-0.2 23,-0.2 0.249 106.9-119.1-112.2 8.7 15.3 -11.0 19.1 11 12 A F S X S+ 0 0 0 -3,-1.4 3,-1.3 5,-0.1 27,-0.1 0.729 70.3 138.8 57.8 25.6 14.5 -13.0 22.2 12 13 A E T 3 S+ 0 0 79 1,-0.3 -1,-0.1 25,-0.1 3,-0.1 0.705 71.1 51.2 -74.9 -16.2 12.8 -9.9 23.6 13 14 A D T > S- 0 0 103 1,-0.4 3,-1.8 3,-0.2 -1,-0.3 -0.177 114.7-120.0-105.8 36.0 10.0 -12.2 24.8 14 15 A G T < S- 0 0 20 -3,-1.3 -1,-0.4 1,-0.3 14,-0.1 -0.396 75.2 -21.8 64.8-133.5 12.5 -14.6 26.6 15 16 A L T > S+ 0 0 53 12,-0.1 3,-2.4 -3,-0.1 -1,-0.3 0.360 92.4 143.2 -92.0 5.8 12.3 -18.1 25.3 16 17 A D T < S+ 0 0 102 -3,-1.8 -3,-0.2 1,-0.3 -5,-0.1 -0.180 74.7 8.2 -46.3 131.0 8.7 -17.8 23.9 17 18 A S T 3 S+ 0 0 73 1,-0.2 2,-0.5 -11,-0.0 -1,-0.3 0.366 105.1 110.9 77.4 -3.2 8.3 -19.7 20.6 18 19 A W < - 0 0 15 -3,-2.4 2,-0.2 33,-0.1 33,-0.2 -0.906 63.5-137.1-107.0 127.4 11.7 -21.4 20.9 19 20 A Q E -F 50 0B 74 31,-3.3 31,-0.8 -2,-0.5 2,-0.6 -0.576 11.9-148.9 -73.3 143.5 12.1 -25.1 21.6 20 21 A D E +F 49 0B 49 -2,-0.2 3,-0.3 29,-0.2 29,-0.2 -0.899 18.8 177.1-117.9 97.1 14.8 -25.9 24.1 21 22 A W S S+ 0 0 74 27,-1.5 28,-0.1 -2,-0.6 -1,-0.1 0.797 78.4 23.7 -79.9 -29.0 16.3 -29.3 23.2 22 23 A Q S S- 0 0 58 26,-0.8 -1,-0.2 0, 0.0 27,-0.1 0.217 100.8-114.7-122.0 17.2 19.0 -29.7 25.8 23 24 A Q S S+ 0 0 151 -3,-0.3 26,-0.1 25,-0.2 -2,-0.1 0.937 85.5 116.9 46.9 54.8 17.8 -27.4 28.6 24 25 A D + 0 0 29 24,-0.2 18,-2.0 2,-0.0 2,-0.4 -0.003 45.2 101.3-137.1 23.2 20.8 -25.2 28.0 25 26 A M E +B 41 0A 18 16,-0.2 2,-0.3 23,-0.1 16,-0.2 -0.908 35.5 164.3-122.4 140.7 19.1 -22.0 26.9 26 27 A S E -B 40 0A 47 14,-1.5 14,-3.3 -2,-0.4 2,-0.7 -0.981 32.4-134.0-150.8 148.0 18.4 -18.7 28.5 27 28 A A E +B 39 0A 23 -2,-0.3 12,-0.2 12,-0.2 -12,-0.1 -0.931 45.6 157.3-102.9 115.4 17.4 -15.3 27.3 28 29 A V E > -B 38 0A 36 10,-2.2 10,-1.7 -2,-0.7 3,-1.2 -0.946 53.3-116.9-144.0 150.4 19.6 -12.8 29.3 29 30 A P G > S+ 0 0 95 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.860 109.6 64.9 -58.1 -36.8 21.0 -9.2 28.9 30 31 A E G 3 S+ 0 0 113 1,-0.3 9,-0.1 8,-0.1 7,-0.1 0.752 104.4 48.2 -61.3 -20.4 24.6 -10.4 28.8 31 32 A A G < S+ 0 0 0 -3,-1.2 8,-0.3 7,-0.3 -1,-0.3 0.330 85.9 125.4 -98.7 3.1 23.8 -12.1 25.4 32 33 A A < + 0 0 25 -3,-2.1 6,-0.2 6,-0.3 3,-0.1 -0.426 28.0 169.2 -72.4 134.5 22.0 -9.1 23.9 33 34 A H S S+ 0 0 48 1,-0.5 2,-0.3 4,-0.5 -1,-0.2 0.740 80.9 5.8 -97.9 -55.0 23.0 -7.7 20.5 34 35 A N S S+ 0 0 83 3,-0.3 -1,-0.5 -24,-0.1 3,-0.3 -0.865 120.5 8.3-120.4 161.3 19.9 -5.5 20.1 35 36 A G S S- 0 0 63 -2,-0.3 -3,-0.0 1,-0.2 -24,-0.0 -0.197 108.8 -53.0 67.6-159.5 17.1 -4.8 22.6 36 37 A A S S+ 0 0 66 -4,-0.0 2,-0.3 -24,-0.0 -4,-0.2 0.722 114.0 41.8 -87.2 -24.9 17.2 -6.0 26.2 37 38 A L - 0 0 37 -3,-0.3 -4,-0.5 -27,-0.3 -3,-0.3 -0.863 48.8-179.4-132.8 154.9 17.9 -9.7 25.6 38 39 A G E -B 28 0A 0 -10,-1.7 -10,-2.2 -2,-0.3 2,-0.5 -0.919 38.6 -96.7-139.3 168.3 19.8 -12.2 23.6 39 40 A L E -BC 27 137A 0 98,-2.8 98,-2.1 -8,-0.3 2,-0.5 -0.793 31.9-163.3 -90.3 127.1 20.0 -16.0 23.6 40 41 A K E -BC 26 136A 44 -14,-3.3 -14,-1.5 -2,-0.5 2,-0.6 -0.951 4.4-167.6-108.2 122.3 22.7 -17.7 25.6 41 42 A I E -BC 25 135A 0 94,-2.8 94,-2.6 -2,-0.5 -16,-0.2 -0.948 29.7-123.0-106.1 116.9 23.5 -21.3 24.9 42 43 A G - 0 0 12 -18,-2.0 3,-0.5 -2,-0.6 92,-0.1 -0.275 21.3-127.2 -66.9 138.4 25.8 -22.6 27.6 43 44 A G S S+ 0 0 22 89,-0.5 89,-0.2 1,-0.2 91,-0.1 -0.086 77.7 71.5 -71.3 176.4 29.2 -24.1 26.8 44 45 A G S S+ 0 0 51 87,-3.1 2,-0.3 89,-0.2 -1,-0.2 0.124 100.9 34.1 105.2 -19.8 30.5 -27.5 27.8 45 46 A K S S- 0 0 97 -3,-0.5 2,-0.3 84,-0.2 84,-0.1 -0.974 92.5 -88.1-156.8 158.0 28.2 -29.7 25.6 46 47 A A + 0 0 34 -2,-0.3 2,-0.3 82,-0.1 82,-0.2 -0.545 62.4 150.7 -69.2 133.3 26.5 -29.6 22.2 47 48 A A E + G 0 127B 0 80,-1.9 80,-2.6 -2,-0.3 2,-0.3 -0.992 10.6 139.9-162.4 158.8 23.1 -27.9 22.5 48 49 A G E - G 0 126B 1 -2,-0.3 -27,-1.5 78,-0.2 -26,-0.8 -0.966 22.9-141.5-177.6-165.5 20.5 -25.9 20.7 49 50 A G E +FG 20 125B 0 76,-2.0 76,-3.4 -2,-0.3 2,-0.3 -0.933 16.5 179.3-166.6 179.1 16.9 -25.1 20.0 50 51 A G E -FG 19 124B 0 -31,-0.8 -31,-3.3 -2,-0.3 2,-0.3 -0.962 21.7-112.7-174.6-170.0 14.6 -24.1 17.2 51 52 A Q E - G 0 123B 11 72,-2.3 72,-3.2 -2,-0.3 2,-0.5 -0.993 24.4-124.9-151.0 132.8 11.3 -23.2 15.7 52 53 A D E - G 0 122B 86 -2,-0.3 70,-0.3 70,-0.2 -2,-0.0 -0.722 31.9-177.5 -79.7 126.5 9.1 -24.9 13.1 53 54 A I - 0 0 9 68,-2.8 2,-0.2 -2,-0.5 -47,-0.1 -0.892 19.3-144.4-132.5 101.9 8.3 -22.4 10.3 54 55 A P - 0 0 92 0, 0.0 2,-0.3 0, 0.0 66,-0.1 -0.473 25.6-165.0 -60.6 130.7 6.0 -23.4 7.4 55 56 A L - 0 0 16 -2,-0.2 62,-0.1 4,-0.0 -2,-0.0 -0.792 22.9-102.4-117.3 159.2 7.3 -21.8 4.2 56 57 A K > - 0 0 114 -2,-0.3 3,-0.6 1,-0.1 57,-0.2 -0.572 41.4-112.9 -75.9 144.0 5.8 -21.2 0.8 57 58 A P T 3 S+ 0 0 61 0, 0.0 58,-0.2 0, 0.0 3,-0.1 -0.334 96.0 19.4 -69.8 162.0 6.9 -23.6 -2.0 58 59 A N T 3 S+ 0 0 112 56,-2.2 2,-0.4 55,-0.3 57,-0.1 0.766 98.0 133.8 52.3 35.6 9.0 -22.3 -5.0 59 60 A T < - 0 0 21 -3,-0.6 54,-2.5 55,-0.2 2,-0.5 -0.941 54.6-131.5-129.7 137.1 10.0 -19.3 -2.9 60 61 A T E -D 112 0A 45 -2,-0.4 85,-2.2 85,-0.3 2,-0.3 -0.747 29.7-178.2 -90.7 125.2 13.3 -17.5 -2.3 61 62 A Y E -DE 111 144A 0 50,-3.2 50,-2.2 -2,-0.5 2,-0.5 -0.930 23.2-138.9-122.0 148.4 14.2 -16.7 1.3 62 63 A I E -DE 110 143A 22 81,-2.5 81,-2.2 -2,-0.3 2,-0.5 -0.927 15.5-161.2 -99.5 127.0 17.1 -14.9 3.1 63 64 A L E +DE 109 142A 0 46,-2.6 46,-2.4 -2,-0.5 2,-0.3 -0.952 22.4 164.3-103.3 129.4 18.2 -16.6 6.3 64 65 A G E +DE 108 141A 0 77,-2.4 77,-3.4 -2,-0.5 2,-0.3 -0.967 9.0 164.8-144.9 155.1 20.3 -14.2 8.5 65 66 A A E -D 107 0A 0 42,-2.0 42,-2.0 -2,-0.3 2,-0.4 -0.976 29.8-127.5-165.2 158.3 21.5 -14.0 12.1 66 67 A W E +DE 106 138A 67 72,-2.0 72,-2.3 -2,-0.3 2,-0.3 -0.937 39.3 159.9-107.2 132.5 23.9 -12.3 14.6 67 68 A A E +DE 105 137A 0 38,-2.3 38,-2.1 -2,-0.4 2,-0.3 -0.992 16.2 171.9-148.9 160.5 26.1 -14.5 16.8 68 69 A K E - E 0 136A 52 68,-2.6 68,-3.2 -2,-0.3 2,-0.3 -0.913 24.5-135.0-164.1 141.4 29.3 -14.5 18.9 69 70 A F E - E 0 135A 0 32,-2.9 66,-0.2 -2,-0.3 3,-0.1 -0.717 17.8-137.3 -89.2 149.3 31.0 -16.9 21.3 70 71 A D S S+ 0 0 72 64,-2.5 2,-0.3 -2,-0.3 65,-0.1 0.454 89.8 20.1 -86.9 0.5 32.3 -15.4 24.5 71 72 A S S S- 0 0 65 63,-0.4 -1,-0.1 30,-0.1 60,-0.1 -0.960 106.0 -71.3-160.5 156.9 35.5 -17.4 24.1 72 73 A K - 0 0 182 -2,-0.3 61,-0.2 -3,-0.1 60,-0.2 -0.413 54.2-147.5 -60.4 117.6 37.4 -19.2 21.2 73 74 A P - 0 0 16 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 -0.376 16.2-145.7 -81.6 163.9 35.3 -22.3 20.2 74 75 A A S S+ 0 0 90 -2,-0.1 2,-0.1 2,-0.1 55,-0.0 0.777 89.3 17.9 -91.1 -38.7 36.7 -25.6 18.9 75 76 A G S S- 0 0 28 1,-0.1 2,-0.3 52,-0.0 52,-0.0 0.059 92.7 -92.3-106.9-142.3 33.7 -26.1 16.7 76 77 A T - 0 0 45 50,-0.1 53,-1.5 -2,-0.1 52,-0.5 -0.799 14.1-123.9-131.4 169.4 31.0 -23.8 15.4 77 78 A F E -H 99 0B 0 22,-2.5 22,-2.8 -2,-0.3 2,-0.4 -0.989 35.7-157.3-112.3 133.3 27.5 -22.5 16.1 78 79 A D E -HI 98 126B 26 48,-2.6 48,-3.1 -2,-0.4 2,-0.5 -0.903 18.7-161.9-119.0 134.1 25.2 -23.1 13.2 79 80 A V E +HI 97 125B 0 18,-2.5 18,-3.2 -2,-0.4 2,-0.4 -0.975 29.5 178.2-110.1 129.2 22.0 -21.5 12.1 80 81 A V E -HI 96 124B 7 44,-2.4 44,-2.6 -2,-0.5 2,-0.5 -0.970 34.7-154.8-135.1 136.0 20.1 -23.8 9.8 81 82 A V E +HI 95 123B 1 14,-2.1 14,-2.9 -2,-0.4 2,-0.4 -0.990 36.2 176.6-103.8 127.0 16.9 -24.0 7.8 82 83 A Q E +HI 94 122B 18 40,-2.5 40,-2.5 -2,-0.5 2,-0.3 -0.980 12.9 141.5-136.3 143.8 16.2 -27.7 7.4 83 84 A Y E -H 93 0B 5 10,-1.5 10,-2.7 -2,-0.4 2,-0.3 -0.959 43.9-100.3-166.8 160.6 13.5 -29.9 5.9 84 85 A H E -H 92 0B 61 -2,-0.3 34,-3.1 8,-0.2 35,-1.1 -0.699 31.1-133.2 -86.0 143.9 12.9 -33.1 3.9 85 86 A L B -O 117 0C 41 6,-2.9 2,-0.8 -2,-0.3 32,-0.2 -0.408 21.9-116.0 -78.0 166.3 12.2 -33.1 0.1 86 87 A K S S+ 0 0 139 30,-0.7 2,-0.2 -2,-0.1 29,-0.1 -0.845 73.6 108.6-102.5 86.9 9.4 -35.2 -1.3 87 88 A D S > S- 0 0 64 -2,-0.8 3,-0.6 4,-0.0 169,-0.0 -0.729 84.9 -54.4-145.0-163.7 11.5 -37.5 -3.5 88 89 A A T 3 S+ 0 0 72 1,-0.3 167,-0.3 -2,-0.2 168,-0.1 0.741 136.7 8.6 -55.6 -31.1 12.8 -41.1 -3.8 89 90 A N T 3 S- 0 0 29 165,-0.1 152,-0.4 153,-0.0 -1,-0.3 0.279 105.4-110.1-127.3 7.0 14.3 -41.2 -0.3 90 91 A N < - 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