==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-AUG-10 3AMC . COMPND 2 MOLECULE: ENDOGLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR T.H.WU,C.H.HUANG,T.P.KO,H.L.LAI,Y.MA,Y.S.CHENG,J.R.LIU,R.T.G . 614 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25764.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 434 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 32 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 204 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 2 2 1 2 3 0 0 0 0 0 0 0 2 2 2 2 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 6 5 1 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 4 A D > 0 0 118 0, 0.0 4,-2.0 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 107.1 4.3 -18.9 -34.7 2 5 A P H > + 0 0 17 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.760 360.0 59.6 -63.8 -25.1 7.6 -17.1 -34.3 3 6 A F H > S+ 0 0 98 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.857 106.7 47.1 -71.6 -33.7 7.1 -15.2 -37.6 4 7 A E H > S+ 0 0 109 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.892 111.1 51.9 -67.9 -39.9 3.9 -13.8 -36.0 5 8 A R H X S+ 0 0 35 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.902 106.0 55.0 -62.2 -35.2 5.9 -13.0 -32.9 6 9 A N H X S+ 0 0 8 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.908 107.4 49.1 -63.5 -41.4 8.4 -11.2 -35.1 7 10 A K H < S+ 0 0 147 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.890 109.1 53.0 -63.1 -40.7 5.7 -9.0 -36.6 8 11 A I H < S+ 0 0 69 -4,-2.1 78,-0.2 1,-0.2 -2,-0.2 0.888 108.1 52.0 -60.2 -37.4 4.5 -8.2 -33.0 9 12 A L H < S+ 0 0 0 -4,-2.2 36,-0.2 -5,-0.2 -2,-0.2 0.975 83.2 146.2 -63.6 -53.0 8.0 -7.2 -32.1 10 13 A G < - 0 0 17 -4,-2.2 270,-2.2 -5,-0.2 2,-0.4 -0.210 58.8 -1.4 53.5-141.0 8.2 -4.9 -35.1 11 14 A R E S+a 280 0A 46 268,-0.2 34,-3.4 32,-0.2 35,-1.3 -0.682 78.8 160.7 -88.8 130.8 10.2 -1.6 -34.7 12 15 A G E -ab 281 46A 0 268,-2.4 270,-2.2 -2,-0.4 2,-0.4 -0.782 29.9-132.5-135.6-179.7 11.8 -1.0 -31.2 13 16 A I E -ab 282 47A 0 33,-1.4 35,-2.2 268,-0.3 2,-0.4 -1.000 19.7-124.4-142.3 143.9 14.4 0.8 -29.3 14 17 A N E - b 0 48A 0 268,-2.9 271,-2.5 -2,-0.4 2,-1.0 -0.700 7.8-150.9 -83.1 133.0 17.0 -0.3 -26.7 15 18 A I + 0 0 0 33,-2.5 4,-0.4 -2,-0.4 3,-0.2 -0.853 43.0 165.1-102.6 85.1 17.0 1.4 -23.4 16 19 A G + 0 0 0 -2,-1.0 270,-0.2 1,-0.2 33,-0.0 -0.373 42.0 50.6 -99.4 178.6 20.7 0.9 -22.9 17 20 A N S S+ 0 0 37 -2,-0.1 12,-1.9 1,-0.1 10,-0.3 0.797 103.8 82.3 57.2 34.8 23.4 2.3 -20.6 18 21 A A S > S+ 0 0 0 -3,-0.2 3,-1.4 10,-0.1 7,-0.3 0.433 95.6 7.8-129.6-100.3 20.9 1.4 -17.9 19 22 A L T 3 S+ 0 0 2 -4,-0.4 33,-2.5 31,-0.3 5,-0.1 0.532 121.9 63.6 -77.3 -4.7 20.4 -2.1 -16.4 20 23 A E T 3 S+ 0 0 2 31,-0.3 -1,-0.3 30,-0.1 31,-0.1 0.496 84.3 87.6 -95.8 -3.7 23.4 -3.6 -18.1 21 24 A A S < S- 0 0 0 -3,-1.4 31,-0.3 29,-0.2 3,-0.1 -0.376 103.3 -98.0 -75.2 173.4 25.8 -1.3 -16.3 22 25 A P S S+ 0 0 9 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.925 113.0 15.0 -61.0 -43.0 27.1 -2.7 -13.0 23 26 A N S > S- 0 0 34 -5,-0.1 3,-2.6 540,-0.0 4,-0.4 -1.000 98.3 -99.2-127.8 140.2 24.4 -0.5 -11.2 24 27 A E T 3 S+ 0 0 51 -2,-0.4 6,-0.2 1,-0.3 -5,-0.1 -0.297 112.7 24.7 -57.1 128.6 21.5 1.2 -13.0 25 28 A G T > S+ 0 0 28 4,-1.0 3,-1.9 -8,-0.3 -1,-0.3 0.003 90.4 104.4 100.5 -19.2 22.5 4.8 -13.6 26 29 A D T < S+ 0 0 82 -3,-2.6 -2,-0.1 1,-0.3 -8,-0.1 0.824 86.6 42.2 -61.8 -31.5 26.3 4.2 -13.6 27 30 A W T 3 S- 0 0 65 -4,-0.4 -1,-0.3 -10,-0.3 -3,-0.1 0.176 130.7 -89.6-102.9 13.0 26.4 4.5 -17.3 28 31 A G S < S+ 0 0 66 -3,-1.9 2,-0.4 1,-0.1 -10,-0.1 0.179 93.8 90.6 111.2 -17.0 24.1 7.5 -17.5 29 32 A V - 0 0 6 -12,-1.9 -4,-1.0 -11,-0.1 2,-0.5 -0.949 40.3-175.9-125.2 132.9 20.6 6.2 -17.8 30 33 A V - 0 0 70 -2,-0.4 2,-1.2 -6,-0.2 -12,-0.1 -0.980 38.7-116.6-114.0 132.7 17.9 5.2 -15.3 31 34 A I - 0 0 5 -2,-0.5 2,-0.2 -16,-0.1 -2,-0.0 -0.520 34.0-161.2 -76.5 103.2 14.8 3.7 -16.8 32 35 A K > - 0 0 107 -2,-1.2 3,-1.5 1,-0.1 4,-0.5 -0.528 23.6-127.7 -84.1 143.5 12.0 6.2 -16.0 33 36 A D T >> S+ 0 0 84 1,-0.3 3,-1.5 -2,-0.2 4,-0.5 0.863 107.8 61.7 -56.8 -36.7 8.5 5.0 -16.2 34 37 A E H >> S+ 0 0 76 1,-0.3 4,-2.3 2,-0.2 3,-0.7 0.758 85.4 76.6 -63.6 -24.3 7.5 8.0 -18.5 35 38 A F H <> S+ 0 0 8 -3,-1.5 4,-2.8 1,-0.2 -1,-0.3 0.859 89.9 58.0 -56.5 -30.3 10.0 6.7 -21.1 36 39 A F H <> S+ 0 0 2 -3,-1.5 4,-2.1 -4,-0.5 -1,-0.2 0.866 105.9 47.0 -69.7 -32.6 7.4 4.1 -22.0 37 40 A D H S+ 0 0 0 -4,-2.8 5,-1.7 -5,-0.2 4,-0.5 0.924 115.3 46.2 -70.9 -41.5 8.5 5.6 -26.8 40 43 A K H ><5S+ 0 0 82 -4,-2.1 3,-1.5 -5,-0.2 -1,-0.2 0.928 111.3 52.7 -65.8 -41.4 5.0 4.2 -27.4 41 44 A E H 3<5S+ 0 0 162 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.822 102.4 59.2 -65.0 -28.4 3.7 7.7 -28.4 42 45 A A T 3<5S- 0 0 24 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.590 124.8-101.7 -74.7 -12.6 6.5 8.0 -31.0 43 46 A G T < 5S+ 0 0 56 -3,-1.5 -32,-0.2 -4,-0.5 -3,-0.2 0.436 70.6 145.1 109.1 2.3 5.2 4.8 -32.7 44 47 A F < - 0 0 3 -5,-1.7 -1,-0.3 1,-0.1 -32,-0.2 -0.421 37.8-154.8 -71.6 145.8 7.6 2.1 -31.5 45 48 A S + 0 0 36 -34,-3.4 41,-2.7 -36,-0.2 2,-0.3 0.649 69.2 9.8 -92.5 -22.5 6.2 -1.4 -31.0 46 49 A H E -bc 12 86A 0 -35,-1.3 -33,-1.4 39,-0.3 2,-0.4 -0.973 56.8-135.7-150.9 168.6 8.7 -2.7 -28.4 47 50 A V E -bc 13 87A 0 39,-2.1 41,-2.4 -2,-0.3 2,-0.5 -0.969 14.4-145.6-125.1 142.9 11.6 -2.0 -26.1 48 51 A R E -bc 14 88A 0 -35,-2.2 -33,-2.5 -2,-0.4 41,-0.2 -0.951 13.7-162.3-105.3 130.3 14.7 -4.0 -25.7 49 52 A I E - c 0 89A 2 39,-3.2 41,-1.0 -2,-0.5 2,-0.2 -0.889 6.4-152.2-118.8 97.6 16.1 -4.0 -22.1 50 53 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 -31,-0.3 -0.520 20.6-171.3 -64.3 134.4 19.7 -5.1 -21.7 51 54 A I - 0 0 0 -2,-0.2 41,-2.5 -31,-0.1 2,-1.5 -0.978 25.2-151.3-136.4 123.4 20.1 -6.6 -18.2 52 55 A R > + 0 0 11 -33,-2.5 3,-1.5 -2,-0.4 4,-0.4 -0.498 29.9 161.8 -90.9 73.0 23.3 -7.6 -16.4 53 56 A W G > + 0 0 0 -2,-1.5 3,-1.9 1,-0.3 -1,-0.2 0.813 61.8 74.1 -60.3 -31.4 21.8 -10.3 -14.2 54 57 A S G > S+ 0 0 5 38,-0.3 3,-0.5 1,-0.3 -1,-0.3 0.712 95.0 49.2 -63.5 -22.4 25.2 -11.8 -13.5 55 58 A T G < S+ 0 0 5 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.545 109.9 53.5 -89.4 -5.3 26.2 -9.1 -11.1 56 59 A H G < S+ 0 0 19 -3,-1.9 10,-3.1 -4,-0.4 2,-0.3 -0.113 97.9 73.3-117.3 30.4 22.8 -9.4 -9.2 57 60 A A B < S-I 65 0B 0 -3,-0.5 8,-0.3 8,-0.3 7,-0.2 -0.991 88.8 -98.4-140.9 147.2 23.0 -13.1 -8.5 58 61 A Y - 0 0 11 6,-2.4 457,-0.2 -2,-0.3 456,-0.1 -0.264 21.8-135.3 -65.9 155.8 25.1 -15.0 -6.0 59 62 A A S S+ 0 0 50 455,-2.7 456,-0.1 454,-0.1 -1,-0.1 0.546 84.7 66.1 -86.6 -11.6 28.3 -16.7 -7.2 60 63 A F S > S- 0 0 64 454,-0.5 3,-2.6 4,-0.1 4,-0.4 -0.803 96.9 -40.8-113.7 153.1 27.7 -19.9 -5.3 61 64 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.227 125.5 24.7 -56.8 147.0 24.9 -22.4 -5.8 62 65 A P T 3 S- 0 0 99 0, 0.0 -3,-0.0 0, 0.0 -4,-0.0 -0.864 90.1-142.8 -85.5 22.2 22.0 -22.1 -6.4 63 66 A Y < - 0 0 44 -3,-2.6 -4,-0.1 1,-0.2 2,-0.0 0.873 26.1-160.2 63.5 45.8 23.1 -18.8 -7.8 64 67 A K - 0 0 67 -4,-0.4 -6,-2.4 -7,-0.2 2,-0.3 -0.314 15.2-122.6 -64.8 133.1 20.0 -17.0 -6.6 65 68 A I B -I 57 0B 1 -8,-0.3 -8,-0.3 1,-0.1 -1,-0.1 -0.521 37.8-104.3 -72.1 138.5 19.1 -13.7 -8.2 66 69 A M > - 0 0 2 -10,-3.1 4,-2.2 -2,-0.3 5,-0.2 -0.358 23.3-128.2 -70.7 141.2 18.9 -10.9 -5.6 67 70 A D H > S+ 0 0 106 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.883 101.9 50.8 -60.3 -49.4 15.5 -9.8 -4.5 68 71 A R H > S+ 0 0 153 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.908 112.5 48.7 -59.4 -38.8 15.7 -6.0 -5.0 69 72 A F H > S+ 0 0 20 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.913 109.5 51.2 -69.5 -43.0 17.0 -6.4 -8.5 70 73 A F H X S+ 0 0 12 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.926 109.9 50.8 -57.7 -42.4 14.3 -8.9 -9.5 71 74 A K H X S+ 0 0 136 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.889 109.2 51.5 -63.6 -37.7 11.7 -6.5 -8.2 72 75 A R H X S+ 0 0 47 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.933 109.4 49.3 -64.4 -45.4 13.3 -3.7 -10.3 73 76 A V H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.943 109.7 51.6 -59.8 -43.8 13.2 -5.8 -13.5 74 77 A D H X S+ 0 0 29 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.923 108.0 52.7 -57.5 -42.7 9.6 -6.7 -12.8 75 78 A E H X S+ 0 0 98 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.891 111.7 45.8 -60.5 -43.4 8.8 -2.9 -12.4 76 79 A V H X S+ 0 0 4 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.945 113.9 47.5 -64.5 -49.3 10.5 -2.1 -15.8 77 80 A I H X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.946 115.1 45.2 -58.7 -49.7 8.8 -5.0 -17.7 78 81 A N H X S+ 0 0 75 -4,-2.9 4,-2.3 -5,-0.3 -1,-0.2 0.881 108.7 57.8 -65.4 -31.7 5.4 -4.1 -16.3 79 82 A G H X S+ 0 0 5 -4,-2.2 4,-0.7 -5,-0.3 -1,-0.2 0.919 111.4 41.6 -59.5 -45.2 5.9 -0.4 -17.0 80 83 A A H ><>S+ 0 0 0 -4,-2.1 5,-1.8 1,-0.2 3,-1.0 0.944 113.2 51.9 -69.7 -44.4 6.5 -1.2 -20.7 81 84 A L H ><5S+ 0 0 28 -4,-2.7 3,-2.0 1,-0.3 -2,-0.2 0.858 98.5 67.0 -62.4 -31.5 3.6 -3.7 -20.9 82 85 A K H 3<5S+ 0 0 158 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.847 102.7 47.1 -57.4 -35.6 1.2 -1.2 -19.4 83 86 A R T <<5S- 0 0 32 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.426 121.8-104.4 -86.8 1.9 1.6 0.9 -22.6 84 87 A G T < 5S+ 0 0 50 -3,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.661 73.6 143.3 81.9 15.3 1.1 -1.9 -24.9 85 88 A L < - 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