==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-JAN-11 3QHM . COMPND 2 MOLECULE: 458AA LONG HYPOTHETICAL ENDO-1,4-BETA-GLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.-W.KIM,K.ISHIKAWA . 1131 3 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39041.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 782 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 126 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 102 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 141 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 271 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.9 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 7 1 1 1 3 0 3 2 0 1 4 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 13 2 12 3 0 0 3 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 . 7 0 2 1 0 3 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 . 0 3 0 0 0 0 0 0 3 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 34 A Q 0 0 150 0, 0.0 19,-0.0 0, 0.0 210,-0.0 0.000 360.0 360.0 360.0 -27.7 26.9 24.0 43.0 2 35 A T - 0 0 27 5,-0.1 5,-0.1 210,-0.1 209,-0.1 -0.809 360.0-158.5-174.9 131.5 23.6 23.3 44.8 3 36 A P S S+ 0 0 97 0, 0.0 153,-0.1 0, 0.0 -1,-0.1 0.900 100.2 50.4 -80.1 -40.4 20.1 24.8 44.4 4 37 A T S S- 0 0 45 2,-0.2 3,-0.1 151,-0.2 154,-0.1 0.770 107.6-120.4 -65.4 -35.2 19.2 23.8 47.9 5 38 A G S S+ 0 0 17 1,-0.3 15,-2.3 15,-0.1 2,-0.6 0.224 86.0 103.4 105.9 -13.6 22.3 25.2 49.7 6 39 A I E -A 19 0A 24 13,-0.2 2,-0.5 14,-0.1 -1,-0.3 -0.922 53.2-169.2-105.6 121.4 23.2 21.8 50.9 7 40 A Y E -A 18 0A 28 11,-2.9 11,-2.8 -2,-0.6 2,-0.4 -0.945 5.6-156.7-113.4 127.3 26.1 20.2 49.0 8 41 A Y E +A 17 0A 1 205,-2.5 2,-0.3 -2,-0.5 9,-0.2 -0.862 24.8 154.5-104.0 138.1 26.9 16.5 49.6 9 42 A E E -A 16 0A 25 7,-1.9 7,-3.3 -2,-0.4 2,-0.4 -0.979 39.2-111.2-155.8 165.2 30.4 15.2 48.8 10 43 A V E -A 15 0A 8 247,-2.4 2,-0.4 -2,-0.3 5,-0.2 -0.877 25.4-178.9-106.1 132.6 32.9 12.5 49.7 11 44 A R E > S-A 14 0A 81 3,-2.7 3,-3.0 -2,-0.4 2,-0.3 -0.998 70.7 -31.6-129.4 126.4 36.1 13.2 51.6 12 45 A G T 3 S- 0 0 25 -2,-0.4 292,-0.2 1,-0.3 750,-0.0 -0.533 124.6 -41.4 62.4-124.2 38.4 10.3 52.3 13 46 A D T 3 S+ 0 0 20 -2,-0.3 2,-0.4 290,-0.1 292,-0.4 0.062 119.5 102.2-119.9 22.3 35.8 7.6 52.6 14 47 A T E < -A 11 0A 18 -3,-3.0 -3,-2.7 290,-0.1 2,-0.5 -0.885 69.7-127.4-112.9 138.7 33.4 9.7 54.6 15 48 A I E -AB 10 28A 0 13,-0.5 13,-3.1 -2,-0.4 2,-0.4 -0.693 28.3-160.4 -83.5 126.7 30.2 11.4 53.3 16 49 A Y E -AB 9 27A 24 -7,-3.3 -7,-1.9 -2,-0.5 2,-0.6 -0.857 13.1-150.5-111.6 144.4 30.1 15.1 54.2 17 50 A M E -AB 8 26A 38 9,-2.8 9,-3.4 -2,-0.4 2,-0.6 -0.967 19.6-165.3-111.9 119.2 27.1 17.4 54.4 18 51 A I E -AB 7 25A 17 -11,-2.8 -11,-2.9 -2,-0.6 2,-1.1 -0.923 16.8-154.9-117.8 115.0 28.1 20.9 53.5 19 52 A N E > -A 6 0A 56 5,-2.2 4,-2.7 -2,-0.6 5,-0.3 -0.737 14.2-160.1 -81.5 100.8 26.0 23.9 54.3 20 53 A V T 4 S+ 0 0 56 -15,-2.3 -1,-0.2 -2,-1.1 -14,-0.1 0.706 83.8 48.0 -61.3 -21.0 27.4 26.3 51.6 21 54 A T T 4 S+ 0 0 127 -16,-0.4 -1,-0.2 1,-0.1 -15,-0.1 0.953 121.1 30.6 -82.9 -55.9 26.1 29.4 53.3 22 55 A S T 4 S- 0 0 66 2,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.776 100.7-130.7 -73.6 -27.0 27.2 28.9 56.9 23 56 A G < + 0 0 44 -4,-2.7 -3,-0.1 1,-0.3 2,-0.1 0.429 50.8 154.3 90.8 -2.0 30.2 26.9 55.8 24 57 A E - 0 0 124 -5,-0.3 -5,-2.2 -6,-0.1 2,-0.5 -0.408 26.5-164.4 -62.9 133.2 29.5 24.0 58.2 25 58 A E E -B 18 0A 101 -7,-0.2 -7,-0.2 -3,-0.1 -1,-0.0 -0.977 12.2-174.9-120.0 112.1 31.0 20.8 56.9 26 59 A T E -B 17 0A 53 -9,-3.4 -9,-2.8 -2,-0.5 2,-0.2 -0.930 23.1-137.1-120.9 124.6 29.6 17.8 58.7 27 60 A P E -B 16 0A 59 0, 0.0 2,-0.3 0, 0.0 -11,-0.2 -0.537 31.0-164.7 -70.8 133.4 30.5 14.2 58.4 28 61 A I E -B 15 0A 11 -13,-3.1 -13,-0.5 -2,-0.2 2,-0.4 -0.868 13.7-154.7-121.5 157.2 27.4 12.1 58.3 29 62 A H - 0 0 77 -2,-0.3 2,-0.8 -15,-0.1 311,-0.1 -0.992 15.5-135.0-130.6 138.5 26.7 8.4 58.8 30 63 A L + 0 0 0 -2,-0.4 311,-3.1 35,-0.0 2,-1.0 -0.817 22.8 174.5-101.3 103.7 23.7 6.6 57.3 31 64 A F E +c 341 0B 46 -2,-0.8 35,-1.6 309,-0.2 36,-1.0 -0.819 38.1 164.3-101.0 89.7 21.8 4.2 59.6 32 65 A G E -cd 342 67B 0 309,-2.3 311,-2.4 -2,-1.0 2,-0.3 -0.500 36.9-152.6-114.7 179.2 19.1 3.4 57.1 33 66 A V E -cd 343 68B 0 34,-1.6 36,-2.5 309,-0.3 2,-0.6 -0.958 27.3-115.2-139.8 155.6 16.2 1.2 56.1 34 67 A N E - d 0 69B 0 309,-2.1 312,-2.5 -2,-0.3 2,-0.9 -0.867 20.0-166.7 -98.5 119.6 14.6 0.3 52.8 35 68 A W - 0 0 9 34,-1.9 3,-0.3 -2,-0.6 309,-0.1 -0.674 25.9-177.4-100.9 72.8 11.0 1.5 52.5 36 69 A F + 0 0 16 -2,-0.9 10,-2.0 1,-0.2 36,-0.1 -0.072 43.7 84.4 -74.5 173.8 10.0 -0.5 49.5 37 70 A G > + 0 0 0 8,-0.3 7,-0.8 10,-0.0 3,-0.7 0.217 66.2 93.5 120.1 -12.2 6.8 -0.7 47.5 38 71 A F B 3 S+e 72 0B 0 33,-0.6 35,-1.3 -3,-0.3 38,-0.3 0.551 79.8 62.1 -86.4 -7.1 7.4 2.3 45.2 39 72 A E T 3 S+ 0 0 7 33,-0.3 -1,-0.2 5,-0.1 33,-0.2 -0.117 100.0 87.3-103.3 33.6 8.8 -0.1 42.6 40 73 A T S < S- 0 0 9 -3,-0.7 3,-0.2 33,-0.1 33,-0.1 -0.778 87.4-113.8-132.0 172.1 5.4 -1.7 42.5 41 74 A P S S+ 0 0 72 0, 0.0 41,-0.1 0, 0.0 -1,-0.1 0.768 117.4 60.7 -75.3 -27.3 1.9 -1.6 40.9 42 75 A N S S- 0 0 36 2,-0.1 42,-2.4 41,-0.1 3,-0.1 0.715 100.6-151.0 -69.6 -16.5 0.4 -0.7 44.3 43 76 A H + 0 0 18 40,-0.3 2,-0.3 -3,-0.2 -5,-0.2 0.708 58.1 85.9 54.5 27.2 2.7 2.2 43.6 44 77 A V S S- 0 0 3 -7,-0.8 -2,-0.1 38,-0.1 -1,-0.1 -0.982 90.4 -85.6-150.5 157.2 3.3 2.9 47.3 45 78 A V - 0 0 4 -2,-0.3 3,-0.4 1,-0.1 -8,-0.3 -0.276 60.4-108.2 -56.8 151.1 5.5 1.7 50.1 46 79 A H S S+ 0 0 20 -10,-2.0 -1,-0.1 1,-0.2 -8,-0.0 -0.392 89.1 49.1 -90.9 165.6 4.0 -1.4 51.6 47 80 A G S >> S+ 0 0 0 -2,-0.1 3,-0.9 300,-0.1 4,-0.6 0.468 70.8 116.3 91.3 4.6 2.2 -2.2 54.9 48 81 A L T 34 + 0 0 15 -3,-0.4 39,-1.6 1,-0.2 43,-0.2 0.409 60.4 72.6 -84.4 1.2 -0.1 0.8 54.6 49 82 A W T 34 S+ 0 0 100 37,-0.2 -1,-0.2 1,-0.1 37,-0.1 0.589 109.2 34.2 -87.2 -10.9 -3.1 -1.5 54.5 50 83 A K T <4 S+ 0 0 99 -3,-0.9 2,-0.3 1,-0.1 -2,-0.2 0.496 124.9 12.8-118.6 -10.5 -2.5 -2.1 58.1 51 84 A R S < S- 0 0 31 -4,-0.6 2,-0.2 40,-0.0 36,-0.2 -0.966 72.9 -84.4-160.3 176.5 -1.2 1.3 59.4 52 85 A N > - 0 0 34 -2,-0.3 4,-0.9 38,-0.1 39,-0.1 -0.604 37.1-128.3 -85.9 145.6 -0.5 5.0 59.1 53 86 A W H > S+ 0 0 16 -2,-0.2 4,-2.1 2,-0.2 3,-0.3 0.881 102.0 48.3 -67.2 -44.3 2.7 6.2 57.4 54 87 A E H >>S+ 0 0 31 1,-0.3 4,-4.5 2,-0.3 5,-0.5 0.893 105.7 60.4 -64.6 -35.5 4.3 8.6 59.9 55 88 A D H >5S+ 0 0 81 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.894 106.0 49.5 -54.9 -35.3 3.8 6.0 62.6 56 89 A M H X5S+ 0 0 2 -4,-0.9 4,-2.5 -3,-0.3 -2,-0.3 0.946 117.6 38.8 -66.0 -48.9 6.0 4.0 60.2 57 90 A L H X5S+ 0 0 5 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.989 118.3 46.4 -62.2 -63.8 8.5 6.9 60.1 58 91 A L H X5S+ 0 0 79 -4,-4.5 4,-2.7 1,-0.3 5,-0.2 0.912 116.3 47.3 -44.4 -49.2 8.2 7.8 63.8 59 92 A Q H X<>S+ 0 0 6 -4,-2.5 3,-1.5 -6,-0.2 5,-0.7 0.990 115.6 40.4 -55.1 -69.0 11.5 4.0 62.1 61 94 A K H >X5S+ 0 0 57 -4,-2.8 3,-4.6 1,-0.3 4,-0.6 0.915 108.0 58.8 -46.2 -61.0 13.3 6.9 63.6 62 95 A S H 3<5S+ 0 0 90 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.696 99.1 61.7 -49.5 -19.8 12.6 6.2 67.2 63 96 A L T <<5S- 0 0 21 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.600 133.4 -90.4 -82.2 -11.2 14.4 2.8 66.6 64 97 A G T <45S+ 0 0 37 -3,-4.6 2,-0.3 -4,-0.3 -3,-0.2 0.643 77.0 142.3 113.4 21.9 17.5 4.9 65.8 65 98 A F << + 0 0 1 -5,-0.7 -1,-0.2 -4,-0.6 -33,-0.2 -0.700 26.6 175.4-100.6 147.4 17.4 5.6 62.0 66 99 A N + 0 0 36 -35,-1.6 50,-4.3 -2,-0.3 2,-0.3 0.236 67.9 42.4-127.2 10.4 18.4 8.7 60.1 67 100 A A E -df 32 116B 0 -36,-1.0 -34,-1.6 48,-0.3 2,-0.4 -0.958 52.1-167.3-161.9 141.5 18.0 7.5 56.5 68 101 A I E -df 33 117B 6 48,-2.6 50,-1.8 -2,-0.3 2,-0.6 -0.982 17.0-140.8-130.9 141.0 15.7 5.6 54.2 69 102 A R E -df 34 118B 0 -36,-2.5 -34,-1.9 -2,-0.4 50,-0.2 -0.874 16.2-154.6 -98.6 122.0 16.2 4.3 50.7 70 103 A L E - f 0 119B 0 48,-2.1 50,-1.4 -2,-0.6 52,-0.1 -0.785 5.5-154.9-104.9 96.4 13.1 4.6 48.5 71 104 A P E + f 0 120B 0 0, 0.0 -33,-0.6 0, 0.0 2,-0.3 -0.412 22.8 174.7 -64.5 137.7 13.0 2.1 45.6 72 105 A F E -ef 38 121B 1 48,-2.4 50,-2.2 -33,-0.2 51,-1.4 -0.925 22.9-145.5-142.0 166.0 11.0 3.3 42.7 73 106 A C E >> - f 0 123B 0 -35,-1.3 4,-1.1 -2,-0.3 3,-0.6 -0.912 41.0 -92.3-130.2 158.4 10.0 2.2 39.2 74 107 A T H 3> S+ 0 0 17 49,-1.1 4,-0.9 -2,-0.3 3,-0.2 0.740 120.9 47.7 -40.2 -45.1 9.4 4.4 36.1 75 108 A E H >4 S+ 0 0 103 49,-0.3 3,-0.8 1,-0.2 6,-0.4 0.914 101.9 62.0 -68.8 -42.8 5.6 4.8 36.5 76 109 A S H <4 S+ 0 0 0 -3,-0.6 -1,-0.2 -38,-0.3 -2,-0.2 0.853 107.4 50.5 -48.4 -34.0 5.8 5.7 40.2 77 110 A V H 3< S+ 0 0 7 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.769 92.3 81.7 -78.2 -32.0 7.8 8.7 38.8 78 111 A K S X< S- 0 0 66 -4,-0.9 3,-1.3 -3,-0.8 22,-0.1 -0.617 89.7-108.0 -81.3 141.0 5.5 9.9 36.1 79 112 A P T 3 S+ 0 0 73 0, 0.0 21,-0.3 0, 0.0 22,-0.2 0.760 101.9 45.3 -26.8 -76.3 2.5 12.2 37.2 80 113 A G T 3 S+ 0 0 65 18,-0.1 2,-0.1 19,-0.1 -4,-0.1 0.371 73.2 132.0 -68.0 5.1 -0.8 10.4 37.0 81 114 A T < - 0 0 6 -3,-1.3 18,-1.4 -6,-0.4 19,-0.3 -0.374 43.9-148.7 -66.0 136.0 0.1 7.0 38.5 82 115 A Q - 0 0 117 16,-0.2 16,-0.1 -2,-0.1 -38,-0.1 -0.845 7.1-134.0-103.9 125.0 -2.4 5.8 41.1 83 116 A P - 0 0 16 0, 0.0 2,-0.3 0, 0.0 -40,-0.3 -0.075 21.2-154.4 -73.1-171.6 -1.5 3.7 44.1 84 117 A I + 0 0 104 -42,-2.4 -40,-0.1 1,-0.1 -42,-0.0 -0.940 56.1 33.2-151.2 165.6 -3.4 0.7 45.2 85 118 A G S S+ 0 0 48 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.691 74.3 137.4 57.8 28.7 -4.1 -1.5 48.3 86 119 A I - 0 0 38 -37,-0.1 2,-0.9 -44,-0.1 -37,-0.2 -0.787 53.8-128.1-109.3 152.7 -4.1 1.2 51.0 87 120 A D >> - 0 0 60 -39,-1.6 4,-1.8 -2,-0.3 3,-1.3 -0.812 20.0-174.3 -98.3 98.5 -6.5 1.7 53.9 88 121 A Y T 34 S+ 0 0 114 -2,-0.9 -1,-0.1 1,-0.3 -39,-0.0 0.584 78.2 73.0 -68.7 -12.8 -7.7 5.3 53.8 89 122 A S T 34 S+ 0 0 115 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.855 110.3 34.4 -68.1 -30.9 -9.6 5.0 57.1 90 123 A K T <4 S+ 0 0 105 -3,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.879 127.8 36.0 -88.0 -45.5 -6.1 5.0 58.5 91 124 A N < + 0 0 7 -4,-1.8 -1,-0.2 -43,-0.2 3,-0.2 -0.814 60.1 146.9-114.5 91.0 -4.4 7.4 56.1 92 125 A P + 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.244 50.1 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