==== 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 30-MAY-11 3AZT . 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,C.C.CHEN,Y.S.CHENG,J.R. . 1238 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51295.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 883 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 145 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 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 . 70 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 154 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 405 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 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 4 4 0 5 7 0 0 0 0 1 0 2 4 4 1 4 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 15 13 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 . 4 4 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 . 4 0 0 0 0 0 0 4 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 1 A M 0 0 175 0, 0.0 162,-0.1 0, 0.0 163,-0.0 0.000 360.0 360.0 360.0 0.8 -18.2 -6.7 -19.1 2 2 A G + 0 0 83 2,-0.0 2,-0.3 161,-0.0 161,-0.1 -0.358 360.0 146.8-139.3 49.7 -21.6 -6.4 -20.7 3 3 A V - 0 0 49 159,-0.3 186,-0.0 161,-0.0 161,-0.0 -0.706 44.3-129.5 -94.7 142.6 -21.0 -2.8 -22.0 4 4 A D > - 0 0 77 -2,-0.3 4,-1.9 1,-0.1 3,-0.1 -0.807 7.9-159.9 -97.6 125.8 -22.5 -1.5 -25.3 5 5 A P H > S+ 0 0 15 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.768 93.2 56.7 -69.4 -32.1 -20.2 0.3 -27.8 6 6 A F H > S+ 0 0 99 2,-0.2 4,-1.2 1,-0.2 243,-0.1 0.816 109.1 47.5 -70.0 -32.1 -23.0 2.1 -29.6 7 7 A E H > S+ 0 0 78 2,-0.2 4,-2.5 1,-0.2 3,-0.3 0.921 109.6 51.7 -73.2 -44.6 -24.0 3.6 -26.3 8 8 A R H X S+ 0 0 16 -4,-1.9 4,-1.9 1,-0.3 -2,-0.2 0.881 106.8 55.2 -58.5 -35.2 -20.4 4.6 -25.6 9 9 A N H X S+ 0 0 11 -4,-1.8 4,-2.2 2,-0.2 -1,-0.3 0.873 106.5 50.6 -66.1 -33.6 -20.5 6.2 -29.1 10 10 A K H < S+ 0 0 130 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.931 107.4 53.1 -67.0 -44.5 -23.5 8.2 -27.9 11 11 A I H < S+ 0 0 50 -4,-2.5 78,-0.2 1,-0.2 -2,-0.2 0.815 107.8 52.2 -57.4 -37.2 -21.6 9.3 -24.8 12 12 A L H < S+ 0 0 0 -4,-1.9 36,-0.2 -5,-0.2 -2,-0.2 0.975 80.4 142.3 -63.4 -55.4 -18.8 10.5 -27.1 13 13 A G < + 0 0 22 -4,-2.2 270,-2.3 -5,-0.1 2,-0.4 -0.203 62.8 4.4 52.5-137.3 -21.1 12.6 -29.2 14 14 A R E S+a 283 0A 62 32,-0.2 34,-3.5 268,-0.2 35,-1.4 -0.669 81.4 162.1 -82.1 130.6 -19.6 15.9 -30.3 15 15 A G E -ab 284 49A 0 268,-1.7 270,-2.2 -2,-0.4 2,-0.3 -0.803 29.7-135.9-138.3 179.9 -16.0 16.4 -29.3 16 16 A I E -ab 285 50A 0 33,-1.6 35,-1.9 268,-0.3 2,-0.4 -0.999 18.8-127.0-143.4 138.5 -12.8 18.4 -30.0 17 17 A N E - b 0 51A 0 268,-2.8 271,-3.0 -2,-0.3 2,-1.2 -0.677 9.3-149.2 -80.4 133.1 -9.1 17.4 -30.3 18 18 A I + 0 0 0 33,-2.4 4,-0.4 -2,-0.4 3,-0.3 -0.768 42.0 172.4-102.5 87.3 -6.7 19.2 -28.1 19 19 A G + 0 0 1 -2,-1.2 270,-0.2 1,-0.2 33,-0.0 -0.332 42.4 41.1 -96.2 176.8 -3.9 18.9 -30.6 20 20 A N S S+ 0 0 38 1,-0.1 12,-1.4 -2,-0.1 8,-0.3 0.793 103.8 83.4 54.5 33.5 -0.3 20.2 -31.1 21 21 A A S > S+ 0 0 0 -3,-0.3 3,-1.6 32,-0.1 7,-0.3 0.406 95.9 10.4-123.9 -98.3 0.1 19.5 -27.4 22 22 A L T 3 S+ 0 0 1 -4,-0.4 33,-2.4 1,-0.3 5,-0.1 0.587 122.3 63.0 -67.9 -10.2 1.0 16.1 -25.9 23 23 A E T 3 S+ 0 0 0 31,-0.3 -1,-0.3 30,-0.1 31,-0.1 0.449 84.3 89.4 -94.2 -0.3 1.7 14.6 -29.3 24 24 A A S < S- 0 0 0 -3,-1.6 31,-0.3 29,-0.2 3,-0.1 -0.421 102.1 -97.1 -81.3 172.6 4.7 17.0 -30.0 25 25 A P S S+ 0 0 10 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.930 113.4 10.7 -57.6 -40.1 8.1 15.8 -28.8 26 26 A N S > S- 0 0 35 -5,-0.1 3,-2.2 850,-0.0 4,-0.4 -0.989 100.5 -95.8-133.9 140.3 7.6 17.8 -25.6 27 27 A E T 3 S+ 0 0 51 -2,-0.4 6,-0.1 1,-0.3 -5,-0.1 -0.354 113.5 26.3 -58.6 127.1 4.3 19.5 -24.6 28 28 A G T > S+ 0 0 28 4,-0.9 3,-2.2 -7,-0.3 -1,-0.3 -0.002 88.4 105.4 108.0 -27.4 4.4 23.1 -25.8 29 29 A D T < S+ 0 0 85 -3,-2.2 -2,-0.1 1,-0.3 -8,-0.1 0.843 86.1 43.0 -54.4 -36.1 6.9 22.5 -28.7 30 30 A W T 3 S- 0 0 97 -4,-0.4 -1,-0.3 -10,-0.3 -3,-0.1 0.175 130.4 -88.2 -99.1 18.7 4.1 22.8 -31.2 31 31 A G S < S+ 0 0 65 -3,-2.2 2,-0.4 1,-0.1 -10,-0.1 0.285 95.0 92.8 102.4 -12.6 2.4 25.8 -29.6 32 32 A V + 0 0 7 -12,-1.4 -4,-0.9 -11,-0.1 2,-0.4 -0.958 38.2 178.9-131.0 132.8 0.0 24.3 -27.2 33 33 A V - 0 0 64 -2,-0.4 2,-0.8 -6,-0.1 -12,-0.1 -0.982 39.5-117.6-118.3 130.5 0.1 23.4 -23.5 34 34 A I - 0 0 5 -2,-0.4 2,-0.3 -16,-0.1 -2,-0.0 -0.575 31.8-162.4 -75.6 108.3 -3.1 21.9 -22.1 35 35 A K > - 0 0 111 -2,-0.8 3,-1.5 1,-0.1 4,-0.4 -0.674 24.9-123.4 -90.0 145.4 -4.4 24.3 -19.4 36 36 A D T >> S+ 0 0 76 -2,-0.3 3,-1.5 1,-0.3 4,-0.5 0.864 108.3 61.6 -54.9 -40.0 -7.0 23.1 -16.9 37 37 A E H >> S+ 0 0 71 1,-0.3 4,-2.3 2,-0.2 3,-0.5 0.719 83.3 79.9 -63.2 -18.1 -9.5 25.8 -17.8 38 38 A F H <> S+ 0 0 5 -3,-1.5 4,-3.1 1,-0.2 -1,-0.3 0.871 89.3 56.8 -54.5 -35.1 -9.6 24.5 -21.4 39 39 A F H <> S+ 0 0 2 -3,-1.5 4,-2.4 -4,-0.4 -1,-0.2 0.877 105.4 48.2 -66.7 -36.2 -12.0 21.9 -20.0 40 40 A D H S+ 0 0 0 -4,-3.1 5,-1.7 -5,-0.2 4,-0.5 0.917 115.3 45.0 -61.8 -46.2 -14.8 23.2 -24.0 43 43 A K H ><5S+ 0 0 87 -4,-2.4 3,-1.4 -5,-0.2 -2,-0.2 0.925 110.8 55.6 -65.5 -41.5 -17.7 21.9 -21.8 44 44 A E H 3<5S+ 0 0 156 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.859 102.2 56.2 -58.3 -36.0 -19.3 25.3 -21.7 45 45 A A T 3<5S- 0 0 30 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.564 126.0 -96.6 -75.0 -12.0 -19.5 25.5 -25.5 46 46 A G T < 5S+ 0 0 48 -3,-1.4 -32,-0.2 -4,-0.5 -3,-0.2 0.525 71.9 144.9 114.3 3.7 -21.4 22.3 -25.7 47 47 A F < - 0 0 3 -5,-1.7 -1,-0.3 1,-0.1 -32,-0.2 -0.426 35.6-158.0 -76.6 148.7 -18.9 19.6 -26.4 48 48 A S + 0 0 40 -34,-3.5 41,-2.5 -36,-0.2 2,-0.3 0.708 69.8 9.5 -97.4 -22.8 -19.4 16.2 -24.9 49 49 A H E -bc 15 89A 0 -35,-1.4 -33,-1.6 39,-0.3 2,-0.4 -0.945 55.9-136.8-150.5 168.1 -15.7 15.0 -25.1 50 50 A V E -bc 16 90A 0 39,-2.0 41,-2.6 -2,-0.3 2,-0.5 -0.987 14.4-146.4-126.4 143.8 -12.1 15.7 -25.8 51 51 A R E -bc 17 91A 1 -35,-1.9 -33,-2.4 -2,-0.4 41,-0.2 -0.914 14.5-156.2-105.1 132.6 -9.7 13.6 -27.8 52 52 A I E - c 0 92A 1 39,-3.7 41,-1.1 -2,-0.5 2,-0.2 -0.867 3.9-150.9-119.4 100.8 -6.2 13.8 -26.5 53 53 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 -31,-0.2 -0.480 22.9-172.3 -62.7 125.5 -3.3 13.0 -29.0 54 54 A I - 0 0 0 -2,-0.2 41,-2.4 -31,-0.1 2,-1.4 -0.974 26.5-153.3-133.2 126.5 -0.4 11.6 -26.9 55 55 A R > + 0 0 34 -33,-2.4 3,-1.5 -2,-0.4 4,-0.4 -0.509 27.6 163.4 -91.5 66.4 3.1 10.8 -28.1 56 56 A W G > + 0 0 0 -2,-1.4 3,-2.0 1,-0.2 -1,-0.2 0.830 63.1 74.1 -51.2 -33.6 3.8 8.1 -25.5 57 57 A S G > S+ 0 0 7 1,-0.3 3,-0.6 38,-0.3 -1,-0.2 0.748 92.8 49.8 -57.8 -27.3 6.8 6.9 -27.6 58 58 A T G < S+ 0 0 5 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.520 111.4 51.3 -89.0 -2.3 9.1 9.7 -26.7 59 59 A H G < S+ 0 0 20 -3,-2.0 10,-3.0 -4,-0.4 2,-0.3 -0.085 97.5 74.2-123.8 36.0 8.4 9.3 -23.0 60 60 A A B < S-I 68 0B 0 -3,-0.6 8,-0.3 8,-0.3 7,-0.2 -0.985 88.3 -96.3-144.4 145.0 9.1 5.6 -22.5 61 61 A Y - 0 0 8 6,-2.4 767,-0.2 -2,-0.3 766,-0.1 -0.271 24.2-135.7 -62.7 152.3 12.4 3.7 -22.5 62 62 A A S S+ 0 0 48 765,-2.9 766,-0.2 764,-0.1 -1,-0.1 0.379 84.4 65.5 -88.3 -2.5 13.5 2.1 -25.7 63 63 A F S > S- 0 0 62 764,-0.4 3,-3.0 4,-0.1 4,-0.4 -0.893 98.0 -44.1-122.2 150.9 14.5 -1.2 -24.1 64 64 A P T 3 S+ 0 0 76 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.267 125.9 29.0 -56.0 141.3 12.3 -3.8 -22.3 65 65 A P T 3 S- 0 0 97 0, 0.0 -3,-0.0 0, 0.0 -4,-0.0 -0.921 88.0-148.1 -82.5 19.8 10.2 -3.3 -20.3 66 66 A Y < - 0 0 19 -3,-3.0 -4,-0.0 1,-0.2 761,-0.0 0.882 24.5-162.8 59.0 39.4 9.7 -0.0 -22.2 67 67 A K - 0 0 66 -4,-0.4 -6,-2.4 -7,-0.2 2,-0.3 -0.300 16.4-122.8 -62.1 137.8 8.6 1.7 -19.0 68 68 A I B -I 60 0B 1 -8,-0.3 -8,-0.3 1,-0.1 -1,-0.1 -0.588 37.5-102.7 -77.2 137.6 6.7 5.0 -19.4 69 69 A M > - 0 0 4 -10,-3.0 4,-2.3 -2,-0.3 5,-0.2 -0.356 24.2-129.0 -67.8 138.1 8.5 7.8 -17.5 70 70 A D H > S+ 0 0 99 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.851 103.8 51.6 -54.7 -46.7 6.8 8.7 -14.3 71 71 A R H > S+ 0 0 153 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.908 111.9 48.2 -61.7 -42.9 6.6 12.5 -14.8 72 72 A F H > S+ 0 0 18 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.916 110.1 50.1 -64.8 -43.8 4.9 12.0 -18.2 73 73 A F H X S+ 0 0 12 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.887 109.7 53.0 -60.0 -38.1 2.4 9.5 -16.8 74 74 A K H X S+ 0 0 128 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.906 108.0 51.0 -63.7 -40.9 1.6 12.0 -14.0 75 75 A R H X S+ 0 0 47 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.949 110.3 47.8 -63.6 -46.8 1.0 14.7 -16.6 76 76 A V H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.920 108.9 54.9 -62.2 -40.6 -1.4 12.5 -18.6 77 77 A D H X S+ 0 0 17 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.931 108.6 49.6 -54.1 -46.4 -3.2 11.5 -15.4 78 78 A E H X S+ 0 0 95 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.856 110.9 48.0 -62.3 -38.3 -3.7 15.3 -14.7 79 79 A V H X S+ 0 0 2 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.961 114.3 45.9 -70.4 -48.3 -5.1 16.0 -18.2 80 80 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.917 115.1 46.6 -61.1 -44.5 -7.5 13.1 -18.2 81 81 A N H X S+ 0 0 53 -4,-2.8 4,-2.0 -5,-0.3 -1,-0.2 0.864 107.4 57.2 -68.8 -34.5 -8.7 13.9 -14.7 82 82 A G H X S+ 0 0 5 -4,-1.9 4,-0.8 -5,-0.2 -1,-0.2 0.926 111.0 44.1 -61.2 -40.7 -9.1 17.6 -15.5 83 83 A A H ><>S+ 0 0 1 -4,-2.1 5,-1.8 1,-0.2 3,-1.3 0.960 111.4 52.0 -68.8 -47.2 -11.5 16.6 -18.4 84 84 A L H ><5S+ 0 0 15 -4,-2.5 3,-1.8 1,-0.3 -1,-0.2 0.860 100.1 64.7 -56.2 -34.0 -13.4 14.1 -16.3 85 85 A K H 3<5S+ 0 0 95 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.816 102.5 48.4 -59.9 -31.3 -13.9 16.7 -13.6 86 86 A R T <<5S- 0 0 32 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 0.405 122.7-105.9 -89.5 1.8 -16.0 18.8 -16.1 87 87 A G T < 5S+ 0 0 56 -3,-1.8 2,-0.3 -4,-0.3 -3,-0.2 0.721 73.2 143.8 82.5 15.5 -18.0 15.8 -17.1 88 88 A L < - 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