==== 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 3AZR . 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. . 619 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26103.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 439 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 11.0 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 . 28 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 206 33.3 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 0 2 3 1 0 0 0 0 0 0 4 2 0 2 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 6 6 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 . 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 1 A M 0 0 194 0, 0.0 162,-0.2 0, 0.0 161,-0.1 0.000 360.0 360.0 360.0 152.7 4.5 24.9 -1.7 2 2 A G - 0 0 20 160,-0.7 2,-0.3 1,-0.1 162,-0.1 0.250 360.0 -86.9 -95.5-146.9 2.5 21.8 -0.7 3 3 A V - 0 0 46 160,-0.4 -1,-0.1 124,-0.1 5,-0.1 -0.879 49.5 -76.2-130.4 161.7 -0.8 20.2 -1.4 4 4 A D >> - 0 0 96 -2,-0.3 4,-2.0 1,-0.2 3,-1.6 -0.355 45.9-128.9 -54.9 125.6 -4.4 20.4 -0.2 5 5 A P H 3> S+ 0 0 13 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.761 108.8 58.9 -52.3 -25.1 -4.3 18.5 3.1 6 6 A F H 3> S+ 0 0 103 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.831 104.8 50.5 -73.8 -30.1 -7.3 16.4 2.0 7 7 A E H <> S+ 0 0 83 -3,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.874 112.0 46.5 -72.3 -40.0 -5.2 15.3 -1.0 8 8 A R H X S+ 0 0 4 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.823 107.8 56.3 -74.6 -22.6 -2.4 14.4 1.3 9 9 A N H X S+ 0 0 9 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.886 107.7 49.8 -69.9 -35.7 -4.9 12.6 3.6 10 10 A K H < S+ 0 0 142 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.898 107.4 54.1 -66.5 -38.5 -5.9 10.5 0.6 11 11 A I H < S+ 0 0 44 -4,-1.9 78,-0.2 1,-0.2 -1,-0.2 0.871 108.6 49.6 -62.6 -36.9 -2.2 9.9 -0.1 12 12 A L H < S+ 0 0 0 -4,-1.7 36,-0.2 1,-0.1 -2,-0.2 0.971 81.4 144.0 -66.0 -55.1 -1.9 8.5 3.5 13 13 A G < + 0 0 20 -4,-2.4 270,-2.2 35,-0.1 2,-0.4 -0.163 60.6 6.4 53.8-139.9 -4.8 6.2 3.2 14 14 A R E S+a 283 0A 79 268,-0.2 34,-3.4 32,-0.2 35,-1.5 -0.604 80.9 161.3 -77.9 128.8 -4.5 2.9 5.0 15 15 A G E -ab 284 49A 0 268,-1.9 270,-2.3 -2,-0.4 2,-0.4 -0.830 29.8-139.6-139.9 179.7 -1.4 2.5 7.2 16 16 A I E -ab 285 50A 0 33,-1.4 35,-2.3 268,-0.3 2,-0.4 -0.999 18.9-127.1-145.4 138.9 0.3 0.7 10.0 17 17 A N E - b 0 51A 0 268,-2.9 271,-2.6 -2,-0.4 2,-1.0 -0.718 9.3-147.7 -81.8 136.2 2.5 1.8 12.9 18 18 A I + 0 0 1 33,-2.6 4,-0.4 -2,-0.4 3,-0.3 -0.854 42.7 170.9-102.3 89.6 5.8 0.1 13.3 19 19 A G + 0 0 1 -2,-1.0 270,-0.2 1,-0.2 33,-0.0 -0.416 43.4 45.0 -99.0 175.8 5.7 0.4 17.1 20 20 A N S S+ 0 0 33 -2,-0.1 12,-1.7 1,-0.1 10,-0.3 0.814 104.2 84.6 56.2 36.2 7.7 -0.9 20.1 21 21 A A S > S+ 0 0 0 -3,-0.3 3,-1.4 10,-0.1 7,-0.3 0.428 95.0 6.5-125.7-102.0 10.7 0.1 18.0 22 22 A L T 3 S+ 0 0 1 -4,-0.4 33,-2.7 31,-0.3 5,-0.1 0.487 122.1 64.9 -72.3 -5.3 12.3 3.5 17.7 23 23 A E T 3 S+ 0 0 1 31,-0.3 -1,-0.2 3,-0.1 31,-0.1 0.526 83.4 88.3 -95.0 -3.8 10.1 5.0 20.4 24 24 A A S < S- 0 0 0 -3,-1.4 31,-0.3 29,-0.2 3,-0.1 -0.379 103.4 -95.4 -77.0 173.6 11.6 2.7 23.1 25 25 A P S S+ 0 0 12 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.936 114.2 11.4 -57.1 -44.3 14.8 4.1 24.9 26 26 A N S > S- 0 0 32 -5,-0.1 3,-2.2 541,-0.0 4,-0.4 -0.987 99.0 -96.7-131.3 141.0 16.9 2.0 22.4 27 27 A E T 3 S+ 0 0 51 -2,-0.4 -5,-0.1 1,-0.3 6,-0.1 -0.345 113.3 25.5 -58.2 130.2 15.6 0.3 19.3 28 28 A G T > S+ 0 0 30 4,-1.0 3,-1.5 -7,-0.3 -1,-0.3 0.105 91.2 104.8 102.1 -21.3 14.9 -3.3 20.1 29 29 A D T < S+ 0 0 84 -3,-2.2 -2,-0.1 1,-0.3 -8,-0.1 0.819 85.5 41.7 -58.9 -37.6 14.4 -2.8 23.8 30 30 A W T 3 S- 0 0 86 -4,-0.4 -1,-0.3 -10,-0.3 -3,-0.1 0.132 131.0 -89.2 -98.9 16.5 10.6 -3.2 23.5 31 31 A G S < S+ 0 0 66 -3,-1.5 2,-0.4 1,-0.1 -10,-0.1 0.303 94.0 92.6 101.2 -9.9 10.9 -6.1 21.1 32 32 A V - 0 0 7 -12,-1.7 -4,-1.0 -11,-0.1 2,-0.4 -0.971 39.9-176.6-128.2 137.3 11.0 -4.7 17.6 33 33 A V - 0 0 77 -2,-0.4 2,-0.8 -6,-0.1 -12,-0.1 -0.995 38.5-116.4-120.7 126.1 13.8 -3.7 15.3 34 34 A I - 0 0 6 -2,-0.4 2,-0.3 -16,-0.1 -2,-0.0 -0.508 33.4-162.8 -69.7 107.5 12.7 -2.2 12.0 35 35 A K > - 0 0 131 -2,-0.8 3,-1.6 1,-0.1 4,-0.4 -0.709 23.6-128.4 -88.1 144.7 13.9 -4.7 9.3 36 36 A D T >> S+ 0 0 74 -2,-0.3 3,-1.8 1,-0.3 4,-0.6 0.881 107.5 63.5 -59.6 -35.0 14.0 -3.3 5.8 37 37 A E H >> S+ 0 0 73 1,-0.3 4,-2.1 2,-0.2 3,-0.5 0.737 84.3 77.7 -61.8 -21.0 12.0 -6.3 4.5 38 38 A F H <> S+ 0 0 13 -3,-1.6 4,-2.7 1,-0.2 -1,-0.3 0.835 88.6 57.6 -58.9 -30.7 9.1 -5.1 6.7 39 39 A F H <> S+ 0 0 3 -3,-1.8 4,-2.1 -4,-0.4 -1,-0.2 0.883 105.8 46.8 -72.2 -31.7 8.4 -2.4 4.0 40 40 A D H S+ 0 0 0 -4,-2.7 5,-2.0 2,-0.2 4,-0.7 0.911 116.2 46.5 -70.1 -41.8 3.5 -4.0 4.5 43 43 A K H ><5S+ 0 0 87 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.897 111.1 53.5 -66.7 -41.3 3.3 -2.6 0.9 44 44 A E H 3<5S+ 0 0 153 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.787 102.0 57.9 -65.8 -23.7 2.5 -6.0 -0.5 45 45 A A H 3<5S- 0 0 31 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.678 126.7 -99.6 -77.9 -20.8 -0.4 -6.5 2.0 46 46 A G T <<5 + 0 0 48 -3,-0.8 -3,-0.2 -4,-0.7 -32,-0.2 0.542 70.0 147.4 117.2 6.6 -1.9 -3.4 0.6 47 47 A F < - 0 0 1 -5,-2.0 -1,-0.3 1,-0.1 -32,-0.2 -0.446 36.5-154.2 -77.7 152.6 -1.0 -0.5 3.0 48 48 A S S S+ 0 0 42 -34,-3.4 41,-2.9 -36,-0.2 2,-0.3 0.693 70.8 4.3 -95.5 -23.8 -0.5 3.0 1.7 49 49 A H E -bc 15 89A 0 -35,-1.5 -33,-1.4 39,-0.3 2,-0.4 -0.974 56.4-134.6-155.1 169.1 1.8 4.2 4.5 50 50 A V E -bc 16 90A 0 39,-2.0 41,-2.2 -2,-0.3 2,-0.5 -0.964 14.6-144.2-128.8 144.9 3.7 3.5 7.7 51 51 A R E -bc 17 91A 1 -35,-2.3 -33,-2.6 -2,-0.4 41,-0.2 -0.944 13.4-159.3-108.2 129.1 3.8 5.5 10.8 52 52 A I E - c 0 92A 2 39,-3.0 41,-1.1 -2,-0.5 2,-0.2 -0.878 4.9-152.7-116.8 101.6 7.1 5.5 12.6 53 53 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 -31,-0.3 -0.487 21.6-173.0 -65.7 128.4 7.1 6.5 16.4 54 54 A I - 0 0 0 -2,-0.2 41,-2.4 -31,-0.1 2,-1.5 -0.979 25.9-152.1-136.2 126.3 10.5 8.0 17.2 55 55 A R > + 0 0 31 -33,-2.7 3,-1.5 -2,-0.4 4,-0.3 -0.532 28.6 163.3 -93.0 71.2 11.9 8.9 20.6 56 56 A W G > + 0 0 0 -2,-1.5 3,-2.1 1,-0.3 -1,-0.2 0.818 62.1 74.3 -58.0 -29.7 14.3 11.6 19.4 57 57 A S G > S+ 0 0 7 1,-0.3 3,-0.6 38,-0.3 -1,-0.3 0.761 93.3 49.1 -62.0 -23.8 14.6 13.0 22.9 58 58 A T G < S+ 0 0 3 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.477 110.9 52.9 -92.0 3.2 16.8 10.3 24.2 59 59 A H G < S+ 0 0 18 -3,-2.1 10,-3.0 -4,-0.3 2,-0.3 -0.106 97.7 73.5-125.5 33.6 19.1 10.6 21.2 60 60 A A B < S-I 68 0B 0 -3,-0.6 8,-0.3 8,-0.3 7,-0.1 -0.988 89.8 -95.9-141.4 145.8 19.8 14.4 21.4 61 61 A Y - 0 0 12 6,-2.3 458,-0.2 -2,-0.3 457,-0.1 -0.328 23.1-135.9 -64.4 154.3 22.0 16.3 23.8 62 62 A A S S+ 0 0 48 456,-3.2 457,-0.2 455,-0.1 -1,-0.1 0.519 84.7 63.9 -85.7 -9.4 20.3 17.8 26.8 63 63 A F S > S- 0 0 65 455,-0.5 3,-2.6 4,-0.1 4,-0.4 -0.843 97.1 -41.6-116.1 153.2 22.2 21.1 26.5 64 64 A P T 3 S+ 0 0 88 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.218 125.9 26.5 -55.8 143.6 22.2 23.7 23.7 65 65 A P T 3 S- 0 0 104 0, 0.0 -3,-0.0 0, 0.0 -4,-0.0 -0.898 90.7-146.1 -81.1 21.6 22.1 23.4 20.7 66 66 A Y < - 0 0 44 -3,-2.6 2,-0.1 1,-0.2 -4,-0.1 0.895 24.9-161.8 57.1 42.2 20.5 20.1 21.7 67 67 A K - 0 0 69 -4,-0.4 -6,-2.3 -7,-0.1 2,-0.2 -0.358 16.2-122.8 -63.0 135.4 22.1 18.4 18.7 68 68 A I B -I 60 0B 1 -8,-0.3 -8,-0.3 1,-0.1 2,-0.1 -0.516 39.1-102.7 -74.9 138.5 20.6 15.0 17.6 69 69 A M > - 0 0 4 -10,-3.0 4,-2.3 -2,-0.2 3,-0.3 -0.373 23.5-127.8 -69.3 137.4 23.3 12.3 17.7 70 70 A D H > S+ 0 0 86 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.851 102.7 50.5 -50.2 -52.6 24.7 11.3 14.4 71 71 A R H > S+ 0 0 159 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.856 112.5 47.3 -59.0 -41.0 24.3 7.5 14.5 72 72 A F H > S+ 0 0 20 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.917 110.1 53.2 -68.0 -42.8 20.6 7.8 15.5 73 73 A F H X S+ 0 0 11 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.934 109.3 48.3 -57.6 -45.0 20.0 10.4 12.7 74 74 A K H X S+ 0 0 146 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.866 109.5 54.0 -62.7 -36.1 21.5 8.1 10.1 75 75 A R H X S+ 0 0 51 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.922 108.9 47.8 -65.5 -43.7 19.3 5.2 11.4 76 76 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.922 109.0 54.2 -65.4 -40.3 16.1 7.2 11.0 77 77 A D H X S+ 0 0 26 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.923 107.2 52.2 -56.3 -44.0 17.2 8.2 7.5 78 78 A E H X S+ 0 0 116 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.870 110.6 47.0 -61.1 -35.3 17.6 4.5 6.7 79 79 A V H X S+ 0 0 2 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.946 113.2 47.2 -72.6 -49.3 14.1 3.7 7.9 80 80 A I H X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.947 115.1 45.2 -60.1 -45.8 12.5 6.6 6.1 81 81 A N H X S+ 0 0 75 -4,-2.7 4,-1.9 -5,-0.3 -1,-0.2 0.818 107.5 59.5 -68.6 -26.2 14.2 5.8 2.9 82 82 A G H X S+ 0 0 4 -4,-1.4 4,-0.8 -5,-0.2 -1,-0.2 0.933 110.3 42.1 -66.1 -42.4 13.5 2.1 3.3 83 83 A A H ><>S+ 0 0 0 -4,-2.2 5,-1.7 1,-0.2 3,-1.2 0.945 111.7 53.9 -69.2 -45.4 9.8 2.9 3.3 84 84 A L H ><5S+ 0 0 31 -4,-2.6 3,-1.5 1,-0.3 -1,-0.2 0.843 98.3 65.7 -57.7 -31.7 10.0 5.4 0.4 85 85 A K H 3<5S+ 0 0 153 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.854 102.3 48.0 -59.3 -33.7 11.7 2.8 -1.7 86 86 A R T <<5S- 0 0 30 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.442 120.8-105.0 -89.9 1.1 8.5 0.7 -1.7 87 87 A G T < 5S+ 0 0 56 -3,-1.5 2,-0.3 -4,-0.4 -3,-0.2 0.660 73.8 143.9 85.4 14.4 6.2 3.6 -2.6 88 88 A L < - 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