==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-DEC-07 2ZEX . COMPND 2 MOLECULE: S-LAYER ASSOCIATED MULTIDOMAIN ENDOGLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOANAEROBACTERIUM . AUTHOR B.BAE,S.K.NAIR . 292 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13895.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 62.3 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 . 115 39.4 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 . 0 0.0 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 . 36 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 5.8 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 3 2 2 1 3 1 5 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 2 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 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 0 A G 0 0 111 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 95.1 -11.2 41.8 49.2 2 1 A A - 0 0 101 2,-0.1 2,-0.3 0, 0.0 0, 0.0 -0.970 360.0 -7.7 -76.8 -13.0 -13.6 41.4 47.8 3 2 A H - 0 0 164 2,-0.0 2,-0.5 0, 0.0 0, 0.0 -0.955 56.6-134.5-135.4 155.2 -11.8 38.4 46.4 4 3 A M - 0 0 124 -2,-0.3 2,-0.5 141,-0.0 143,-0.1 -0.965 28.2-135.9-106.8 122.8 -8.4 36.9 46.5 5 4 A V E -A 146 0A 68 141,-0.6 141,-2.2 -2,-0.5 2,-0.5 -0.696 15.8-164.8 -83.1 123.1 -7.2 35.7 43.1 6 5 A N E -A 145 0A 49 -2,-0.5 139,-0.2 139,-0.2 137,-0.0 -0.937 5.0-165.6-103.4 130.4 -5.5 32.3 43.0 7 6 A M + 0 0 43 137,-3.2 2,-0.6 -2,-0.5 138,-0.1 0.523 57.8 97.2 -94.8 -8.7 -3.6 31.7 39.8 8 7 A V - 0 0 3 136,-0.2 2,-0.3 47,-0.1 136,-0.1 -0.742 68.2-138.6 -87.4 122.2 -3.1 27.9 40.1 9 8 A S S S+ 0 0 57 -2,-0.6 4,-0.1 1,-0.2 -2,-0.1 -0.622 85.6 2.0 -76.3 137.5 -5.6 25.8 38.1 10 9 A N S > S+ 0 0 19 -2,-0.3 3,-1.4 1,-0.1 -1,-0.2 0.946 79.6 174.8 52.6 54.4 -6.9 22.8 40.0 11 10 A P T 3 S+ 0 0 21 0, 0.0 131,-2.5 0, 0.0 130,-0.1 0.700 73.9 42.7 -69.2 -21.9 -4.8 23.7 43.1 12 11 A G T 3 S- 0 0 6 129,-0.2 27,-0.3 128,-0.2 24,-0.2 0.242 105.8-120.6-105.1 8.2 -6.1 20.9 45.3 13 12 A F S X S+ 0 0 0 -3,-1.4 3,-1.6 5,-0.1 27,-0.1 0.684 71.2 136.3 59.0 19.9 -6.0 18.2 42.7 14 13 A E T 3 S+ 0 0 78 1,-0.3 -1,-0.1 25,-0.1 3,-0.1 0.760 71.1 51.5 -72.1 -20.3 -9.8 17.8 43.2 15 14 A D T > S- 0 0 105 1,-0.4 3,-1.8 3,-0.2 -1,-0.3 -0.104 114.9-121.7-100.3 34.1 -10.1 17.6 39.4 16 15 A G T < S- 0 0 19 -3,-1.6 -1,-0.4 1,-0.3 14,-0.1 -0.432 74.6 -21.8 67.3-134.6 -7.5 14.8 39.2 17 16 A L T > S+ 0 0 57 -2,-0.1 3,-2.2 12,-0.1 -1,-0.3 0.256 93.3 144.3 -93.0 11.1 -4.6 15.8 37.0 18 17 A D T < S+ 0 0 100 -3,-1.8 -3,-0.2 1,-0.3 -5,-0.1 -0.263 74.2 8.1 -51.9 135.4 -6.6 18.4 35.1 19 18 A S T 3 S+ 0 0 71 1,-0.2 2,-0.4 -11,-0.0 -1,-0.3 0.336 107.5 108.1 76.3 -4.7 -4.4 21.4 34.2 20 19 A W < - 0 0 17 -3,-2.2 2,-0.4 33,-0.1 33,-0.2 -0.896 62.6-138.5-110.1 133.4 -1.2 19.7 35.3 21 20 A Q E -F 52 0B 71 31,-3.1 31,-1.2 -2,-0.4 2,-0.8 -0.734 9.7-148.3 -85.7 135.8 1.6 18.3 33.1 22 21 A D E > -F 51 0B 34 -2,-0.4 3,-0.6 29,-0.2 29,-0.2 -0.861 18.0-178.8-106.8 95.5 3.0 14.9 34.1 23 22 A W T 3 S+ 0 0 83 27,-1.4 -1,-0.2 -2,-0.8 28,-0.2 0.807 77.5 26.0 -72.4 -33.7 6.6 15.1 33.0 24 23 A Q T 3 S- 0 0 61 26,-0.8 -1,-0.2 0, 0.0 27,-0.1 0.138 104.3-111.7-117.1 16.9 8.0 11.7 34.0 25 24 A Q S < S+ 0 0 154 -3,-0.6 -2,-0.1 25,-0.2 -3,-0.0 0.938 89.0 114.0 50.2 51.1 4.7 9.7 33.9 26 25 A D + 0 0 33 24,-0.2 18,-2.3 17,-0.0 2,-0.4 0.066 44.9 98.8-140.9 22.2 5.0 9.4 37.7 27 26 A M E +B 43 0A 14 16,-0.2 2,-0.3 23,-0.1 16,-0.2 -0.915 36.7 168.3-119.1 143.0 2.0 11.4 38.9 28 27 A S E -B 42 0A 48 14,-1.9 14,-3.2 -2,-0.4 2,-0.8 -0.985 32.2-132.7-148.3 147.1 -1.4 10.4 40.1 29 28 A A E +B 41 0A 23 -2,-0.3 12,-0.2 12,-0.2 -12,-0.1 -0.898 47.6 158.4 -98.3 109.6 -4.2 12.2 41.9 30 29 A V E > -B 40 0A 38 10,-2.1 10,-1.9 -2,-0.8 3,-1.3 -0.936 56.2-117.6-137.6 152.4 -5.2 9.8 44.7 31 30 A P G > S+ 0 0 92 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.868 109.6 69.1 -56.0 -37.2 -6.9 9.8 48.1 32 31 A E G 3 S+ 0 0 93 1,-0.3 9,-0.1 8,-0.1 7,-0.1 0.775 101.7 45.9 -49.1 -35.7 -3.6 8.6 49.7 33 32 A A G < S+ 0 0 0 -3,-1.3 8,-0.4 7,-0.3 -1,-0.3 0.325 85.3 123.4 -96.2 5.1 -2.0 12.0 49.0 34 33 A A < + 0 0 27 -3,-2.2 6,-0.2 6,-0.3 3,-0.1 -0.517 25.2 166.5 -76.0 132.4 -4.9 14.3 50.2 35 34 A H S S+ 0 0 74 1,-0.4 2,-0.3 4,-0.4 -1,-0.2 0.597 82.9 12.8-100.8 -27.2 -4.3 17.0 52.8 36 35 A N S S+ 0 0 94 3,-0.4 3,-0.4 -24,-0.2 -1,-0.4 -0.983 119.4 2.3-146.2 147.1 -7.7 18.6 52.0 37 36 A G S S- 0 0 55 -2,-0.3 -3,-0.0 1,-0.2 -24,-0.0 -0.311 106.7 -49.5 72.1-157.2 -10.6 17.4 50.0 38 37 A A S S+ 0 0 64 1,-0.1 2,-0.3 -3,-0.0 -4,-0.2 0.652 114.2 29.5 -89.8 -21.1 -10.8 14.0 48.3 39 38 A L - 0 0 36 -3,-0.4 -3,-0.4 -27,-0.3 -4,-0.4 -0.939 49.9-176.2-141.5 156.2 -7.5 13.9 46.5 40 39 A G E -B 30 0A 0 -10,-1.9 -10,-2.1 -2,-0.3 2,-0.6 -0.897 40.4 -90.2-139.0 176.6 -3.9 15.0 46.5 41 40 A L E -BC 29 139A 0 98,-2.8 98,-2.1 -8,-0.4 2,-0.5 -0.799 33.4-164.2 -91.9 125.6 -1.0 14.6 44.1 42 41 A K E -BC 28 138A 46 -14,-3.2 -14,-1.9 -2,-0.6 2,-0.6 -0.940 2.4-166.2-105.5 122.7 1.3 11.6 44.6 43 42 A I E -BC 27 137A 0 94,-2.8 94,-2.4 -2,-0.5 -16,-0.2 -0.954 29.8-123.6-105.9 115.1 4.7 11.7 42.8 44 43 A G - 0 0 13 -18,-2.3 3,-0.5 -2,-0.6 92,-0.1 -0.285 22.0-122.4 -69.2 141.7 6.0 8.2 43.0 45 44 A G S S+ 0 0 24 89,-0.4 89,-0.2 1,-0.2 91,-0.1 -0.084 78.0 66.8 -71.9 172.6 9.4 7.4 44.5 46 45 A G S S+ 0 0 47 87,-2.8 2,-0.3 89,-0.2 -1,-0.2 0.195 100.5 36.3 103.3 -14.6 12.5 5.8 43.0 47 46 A K S S- 0 0 100 -3,-0.5 2,-0.2 84,-0.2 84,-0.1 -0.975 92.7 -86.4-157.5 157.8 13.4 8.4 40.4 48 47 A A + 0 0 33 -2,-0.3 2,-0.3 82,-0.2 82,-0.2 -0.510 62.1 152.6 -66.1 134.3 13.5 12.2 40.0 49 48 A A E + G 0 129B 0 80,-1.8 80,-2.6 -2,-0.2 2,-0.3 -0.994 11.8 146.5-161.0 158.2 10.1 13.4 38.7 50 49 A G E - G 0 128B 0 -2,-0.3 -27,-1.4 78,-0.2 -26,-0.8 -0.950 20.7-144.8-171.1-168.5 7.7 16.2 38.7 51 50 A G E +FG 22 127B 0 76,-1.9 76,-3.2 -2,-0.3 2,-0.3 -0.927 16.7 169.5-161.5-178.8 5.0 18.2 36.8 52 51 A G E -FG 21 126B 0 -31,-1.2 -31,-3.1 -2,-0.3 2,-0.3 -0.982 21.8-122.9-178.2-176.7 3.8 21.7 36.4 53 52 A Q E - G 0 125B 8 72,-2.0 72,-3.1 -2,-0.3 2,-0.4 -0.984 26.7-113.5-151.2 152.7 1.6 24.3 34.7 54 53 A D E - G 0 124B 19 -2,-0.3 70,-0.3 70,-0.2 170,-0.0 -0.730 31.8-162.3 -88.9 137.3 2.2 27.6 32.9 55 54 A I - 0 0 3 68,-2.4 2,-1.8 -2,-0.4 -47,-0.1 -0.979 17.8-139.4-131.2 122.5 0.7 30.6 34.7 56 55 A P - 0 0 45 0, 0.0 66,-0.1 0, 0.0 68,-0.0 -0.503 32.6-172.5 -80.6 76.4 0.1 34.0 33.1 57 56 A L - 0 0 13 -2,-1.8 6,-0.0 1,-0.1 -2,-0.0 -0.308 22.1-117.4 -71.0 149.7 1.2 36.3 36.0 58 57 A K > - 0 0 100 1,-0.1 3,-0.6 4,-0.0 57,-0.2 -0.604 31.5-110.4 -81.4 146.5 0.7 40.1 35.9 59 58 A P T 3 S+ 0 0 61 0, 0.0 58,-0.2 0, 0.0 3,-0.1 -0.344 95.8 18.2 -69.5 159.1 3.7 42.4 35.8 60 59 A N T 3 S+ 0 0 98 56,-1.8 2,-0.4 55,-0.3 57,-0.1 0.802 97.8 133.2 53.3 38.7 4.6 44.6 38.9 61 60 A T < - 0 0 18 -3,-0.6 54,-2.5 55,-0.2 2,-0.5 -0.943 56.4-127.2-129.8 139.8 2.4 42.4 41.1 62 61 A T E -D 114 0A 45 -2,-0.4 85,-2.4 52,-0.2 2,-0.3 -0.743 31.6-178.7 -85.8 127.8 2.9 40.8 44.6 63 62 A Y E -DE 113 146A 0 50,-2.9 50,-2.4 -2,-0.5 2,-0.5 -0.947 20.3-147.2-125.8 148.4 2.1 37.1 44.8 64 63 A I E -DE 112 145A 30 81,-2.3 81,-2.2 -2,-0.3 2,-0.4 -0.969 12.1-160.0-115.3 118.3 2.2 34.6 47.6 65 64 A L E +DE 111 144A 0 46,-2.2 46,-2.3 -2,-0.5 2,-0.3 -0.826 20.5 166.3 -93.8 130.4 3.2 31.0 46.7 66 65 A G E +DE 110 143A 2 77,-2.6 77,-2.3 -2,-0.4 2,-0.3 -0.987 6.6 165.8-143.3 154.4 2.1 28.4 49.2 67 66 A A E -D 109 0A 0 42,-2.0 42,-2.1 -2,-0.3 2,-0.4 -0.980 27.4-134.0-162.8 154.2 1.9 24.6 49.4 68 67 A W E +DE 108 140A 76 72,-2.2 72,-2.2 -2,-0.3 2,-0.3 -0.939 36.7 159.3-108.2 137.0 1.4 21.6 51.6 69 68 A A E +DE 107 139A 0 38,-2.2 38,-2.1 -2,-0.4 2,-0.3 -0.994 16.9 174.9-152.1 156.8 3.7 18.5 51.2 70 69 A K E - E 0 138A 47 68,-2.2 68,-3.1 -2,-0.3 2,-0.3 -0.933 24.0-134.1-157.7 146.2 5.1 15.4 52.9 71 70 A F E - E 0 137A 0 32,-2.9 66,-0.2 -2,-0.3 3,-0.1 -0.740 19.7-134.7 -88.1 148.9 7.2 12.5 51.9 72 71 A D S S+ 0 0 62 64,-2.4 2,-0.3 -2,-0.3 65,-0.1 0.468 88.7 9.9 -87.8 -0.3 6.0 9.1 53.1 73 72 A S S S- 0 0 56 63,-0.3 -1,-0.1 30,-0.1 60,-0.1 -0.934 108.2 -60.1-160.8 169.9 9.5 8.1 54.3 74 73 A K - 0 0 172 -2,-0.3 61,-0.2 1,-0.1 60,-0.1 -0.368 54.5-147.9 -61.0 120.7 12.8 9.9 54.8 75 74 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 -0.458 15.5-147.4 -83.4 161.7 14.1 11.5 51.5 76 75 A A S S+ 0 0 90 -2,-0.1 2,-0.1 2,-0.1 55,-0.0 0.795 88.8 14.7 -85.5 -43.5 17.7 12.0 50.4 77 76 A G S S- 0 0 28 1,-0.1 2,-0.3 52,-0.0 52,-0.0 0.101 91.9 -91.7-106.0-139.1 16.9 15.1 48.5 78 77 A T - 0 0 44 50,-0.1 53,-1.5 -2,-0.1 52,-0.6 -0.816 11.7-123.0-136.7 170.9 13.9 17.4 48.4 79 78 A F E -HI 101 129B 0 22,-2.4 22,-2.7 -2,-0.3 2,-0.4 -0.999 35.5-160.3-115.7 127.9 10.6 18.3 46.8 80 79 A D E -HI 100 128B 29 48,-2.8 48,-3.1 -2,-0.4 2,-0.5 -0.903 16.5-159.4-118.0 135.8 10.6 21.8 45.5 81 80 A V E +HI 99 127B 0 18,-2.2 18,-2.7 -2,-0.4 2,-0.4 -0.972 29.9 179.6-110.7 123.0 7.6 24.1 44.6 82 81 A V E -HI 98 126B 8 44,-2.7 44,-2.8 -2,-0.5 2,-0.5 -0.976 33.5-160.6-136.4 133.8 8.9 26.7 42.2 83 82 A V E +HI 97 125B 2 14,-2.2 14,-2.9 -2,-0.4 2,-0.3 -0.980 33.5 174.7-105.2 128.3 7.6 29.8 40.2 84 83 A Q E +HI 96 124B 20 40,-2.5 40,-2.4 -2,-0.5 2,-0.3 -0.976 12.7 143.9-140.5 145.6 10.2 30.5 37.5 85 84 A Y E -H 95 0B 6 10,-1.8 10,-3.2 -2,-0.3 2,-0.3 -0.955 41.4-103.7-167.5 159.1 10.5 32.8 34.5 86 85 A H E -H 94 0B 67 -2,-0.3 34,-3.4 8,-0.2 35,-0.9 -0.723 27.4-132.2 -89.1 148.2 13.1 34.8 32.6 87 86 A L B -J 119 0C 42 6,-2.8 2,-0.6 -2,-0.3 32,-0.2 -0.550 19.3-122.6 -82.5 158.3 13.6 38.5 32.9 88 87 A K S S+ 0 0 156 30,-0.7 2,-0.2 -2,-0.2 31,-0.1 -0.506 72.0 119.7 -98.0 59.4 14.0 40.7 29.8 89 88 A D S > S- 0 0 61 -2,-0.6 3,-1.3 4,-0.1 -2,-0.0 -0.551 82.7 -85.2-112.4-178.4 17.4 42.0 30.8 90 89 A A T 3 S+ 0 0 98 1,-0.3 -2,-0.0 -2,-0.2 -1,-0.0 0.832 127.9 39.5 -57.0 -37.7 20.9 41.9 29.3 91 90 A N T 3 S- 0 0 139 2,-0.0 -1,-0.3 3,-0.0 3,-0.2 0.351 104.4-123.6 -95.6 4.2 21.7 38.4 30.8 92 91 A N < - 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