==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-AUG-12 4B5Q . COMPND 2 MOLECULE: GLYCOSIDE HYDROLASE FAMILY 61 PROTEIN D; . SOURCE 2 ORGANISM_SCIENTIFIC: PHANEROCHAETE CHRYSOSPORIUM; . AUTHOR M.WU,G.T.BECKHAM,A.M.LARSSON,T.ISHIDA,S.KIM,M.F.CROWLEY,C.M. . 434 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17722.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 57.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 106 24.4 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 54 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 2.8 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 . 2 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 10 0 4 0 4 0 0 0 2 0 2 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 2 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 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 H 0 0 76 0, 0.0 2,-0.3 0, 0.0 30,-0.2 0.000 360.0 360.0 360.0 98.0 28.5 -4.9 11.2 2 2 A Y - 0 0 0 28,-0.7 2,-0.3 72,-0.0 24,-0.1 -0.984 360.0-142.3-157.6 157.4 29.3 -3.5 14.7 3 3 A T - 0 0 5 -2,-0.3 68,-2.0 24,-0.1 69,-0.3 -0.766 16.6-132.8-119.6 167.4 31.6 -4.1 17.6 4 4 A F + 0 0 1 157,-0.4 66,-0.2 -2,-0.3 139,-0.1 -0.647 42.6 152.0-118.2 70.9 31.1 -3.9 21.4 5 5 A P + 0 0 4 0, 0.0 13,-2.7 0, 0.0 2,-0.5 0.727 50.0 71.0 -77.8 -21.5 34.2 -1.9 22.5 6 6 A D E -A 69 0A 19 63,-1.4 63,-2.4 11,-0.2 2,-0.4 -0.868 62.6-152.5-111.6 122.2 32.8 -0.1 25.6 7 7 A F E -A 68 0A 0 -2,-0.5 8,-3.1 9,-0.4 2,-0.7 -0.701 16.5-140.9 -80.8 135.1 32.0 -1.6 28.9 8 8 A I E -AB 67 14A 10 59,-3.4 59,-1.9 -2,-0.4 6,-0.2 -0.907 23.9-143.3 -99.2 114.1 29.3 0.3 30.8 9 9 A E > - 0 0 49 4,-2.5 3,-2.6 -2,-0.7 51,-0.1 -0.194 28.5 -90.5 -79.6 168.6 30.3 0.3 34.5 10 10 A P T 3 S+ 0 0 33 0, 0.0 55,-0.2 0, 0.0 -1,-0.1 0.792 124.3 51.6 -51.7 -34.8 28.0 0.0 37.5 11 11 A S T 3 S- 0 0 111 2,-0.1 55,-0.1 53,-0.1 -2,-0.1 0.350 122.7-100.0 -88.3 8.7 27.5 3.8 37.8 12 12 A G S < S+ 0 0 52 -3,-2.6 2,-0.3 1,-0.3 54,-0.0 0.399 73.2 141.7 97.6 -1.3 26.6 4.3 34.2 13 13 A T - 0 0 86 1,-0.1 -4,-2.5 -5,-0.0 2,-0.8 -0.600 50.2-133.1 -76.5 129.8 29.8 5.5 32.7 14 14 A V B -B 8 0A 51 -2,-0.3 -6,-0.2 -6,-0.2 -1,-0.1 -0.764 30.6-144.3 -79.4 111.0 30.7 4.2 29.2 15 15 A T - 0 0 22 -8,-3.1 3,-0.1 -2,-0.8 -1,-0.0 -0.168 27.9 -72.8 -76.1 171.7 34.4 3.2 29.6 16 16 A G >> - 0 0 40 1,-0.2 3,-2.0 -10,-0.1 4,-0.5 -0.219 61.8 -76.1 -68.2 156.3 37.0 3.5 26.9 17 17 A D T 34 S- 0 0 105 1,-0.3 -11,-0.2 2,-0.1 -1,-0.2 -0.288 112.5 -10.7 -54.2 116.6 37.3 1.4 23.7 18 18 A W T 34 S+ 0 0 40 -13,-2.7 5,-0.3 -3,-0.1 -1,-0.3 0.659 96.9 122.5 65.8 21.3 38.8 -2.0 24.7 19 19 A V T <4 S+ 0 0 40 -3,-2.0 37,-2.7 -14,-0.4 -2,-0.1 0.963 95.8 4.6 -72.7 -53.3 39.7 -1.0 28.2 20 20 A Y S < S+ 0 0 56 -4,-0.5 145,-2.3 -15,-0.3 2,-0.4 0.426 124.1 77.0-110.1 -5.5 37.6 -3.7 29.9 21 21 A V B S-D 164 0B 0 -16,-0.4 2,-0.5 143,-0.2 143,-0.3 -0.908 89.7-112.1-107.2 134.6 36.5 -5.5 26.7 22 22 A R - 0 0 2 141,-3.1 141,-0.4 -2,-0.4 30,-0.1 -0.534 40.2-112.2 -66.8 114.2 38.9 -7.8 24.8 23 23 A E - 0 0 55 -2,-0.5 23,-2.9 -5,-0.3 24,-0.4 -0.214 38.2-137.3 -50.8 127.7 39.6 -6.1 21.5 24 24 A T B > -K 45 0C 0 21,-0.3 3,-1.3 22,-0.1 21,-0.3 -0.423 15.6-112.9 -93.9 165.3 38.0 -8.2 18.8 25 25 A Q T 3 S+ 0 0 71 19,-2.7 3,-0.4 1,-0.3 4,-0.3 0.791 115.4 57.3 -64.2 -32.1 39.4 -9.2 15.3 26 26 A N T 3> + 0 0 2 18,-0.3 4,-2.5 1,-0.2 -1,-0.3 0.049 65.6 129.9 -89.8 25.7 36.8 -7.1 13.6 27 27 A H T <4 S+ 0 0 37 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.731 88.8 18.7 -53.3 -25.0 38.0 -3.9 15.4 28 28 A Y T 4 S+ 0 0 192 -3,-0.4 -1,-0.2 3,-0.0 -2,-0.1 0.749 131.6 41.7-111.3 -47.3 38.1 -2.2 11.9 29 29 A S T 4 S- 0 0 85 -4,-0.3 -2,-0.2 2,-0.1 -3,-0.1 0.766 83.7-148.9 -74.8 -27.4 36.0 -4.3 9.5 30 30 A N < + 0 0 28 -4,-2.5 -28,-0.7 1,-0.2 -3,-0.1 0.582 42.2 156.3 63.4 12.1 33.2 -4.9 12.1 31 31 A G - 0 0 11 -30,-0.2 -1,-0.2 1,-0.1 -5,-0.2 -0.248 38.2-113.0 -67.9 154.7 32.6 -8.2 10.3 32 32 A P - 0 0 26 0, 0.0 2,-0.4 0, 0.0 128,-0.2 -0.448 12.7-118.5 -87.8 158.4 31.0 -11.1 12.1 33 33 A V B +E 159 0B 6 126,-2.0 126,-2.3 -2,-0.1 3,-0.1 -0.777 33.5 174.8 -80.1 137.6 32.1 -14.5 13.2 34 34 A T + 0 0 70 -2,-0.4 2,-0.8 124,-0.2 -1,-0.1 0.433 52.5 83.0-125.5 -5.9 30.0 -17.1 11.3 35 35 A D > - 0 0 79 1,-0.1 3,-1.3 124,-0.1 6,-0.2 -0.876 53.9-171.2-106.0 104.8 31.5 -20.5 12.3 36 36 A V T 3 S+ 0 0 7 -2,-0.8 148,-0.5 1,-0.3 150,-0.3 0.593 83.6 58.3 -72.4 -10.7 30.0 -21.5 15.7 37 37 A T T 3 S+ 0 0 89 146,-0.1 -1,-0.3 150,-0.1 -2,-0.0 0.522 83.5 106.4 -93.5 -7.5 32.4 -24.4 16.0 38 38 A S S X S- 0 0 8 -3,-1.3 3,-1.9 1,-0.1 4,-0.3 -0.461 75.3-129.2 -78.0 141.2 35.5 -22.2 15.8 39 39 A P G > S+ 0 0 69 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.866 108.7 63.3 -53.0 -36.8 37.6 -21.5 19.0 40 40 A E G 3> S+ 0 0 68 1,-0.3 4,-1.7 2,-0.2 -4,-0.1 0.581 81.0 81.0 -69.5 -8.5 37.4 -17.8 18.1 41 41 A F G <4 S+ 0 0 0 -3,-1.9 -1,-0.3 -6,-0.2 -8,-0.1 0.721 82.4 69.3 -61.9 -22.1 33.6 -18.0 18.6 42 42 A R T <4 S- 0 0 49 -3,-1.9 -2,-0.2 -4,-0.3 -1,-0.2 0.996 132.7 -22.3 -61.1 -68.9 34.5 -17.7 22.4 43 43 A a T 4 S- 0 0 0 -4,-0.3 120,-0.3 118,-0.1 -2,-0.2 0.401 73.6-137.6-128.9 -0.8 35.7 -14.1 22.5 44 44 A Y < - 0 0 28 -4,-1.7 -19,-2.7 -5,-0.2 -18,-0.3 0.783 37.9-175.0 51.5 36.9 36.7 -13.3 18.9 45 45 A E B -K 24 0C 7 -21,-0.3 3,-0.4 -20,-0.1 -21,-0.3 -0.216 40.7-121.1 -68.7 153.0 39.9 -11.5 20.0 46 46 A L S S+ 0 0 77 -23,-2.9 2,-0.4 1,-0.3 -22,-0.1 0.907 114.3 14.2 -50.8 -45.8 42.4 -9.6 17.9 47 47 A D S > S- 0 0 73 -24,-0.4 4,-2.9 1,-0.1 5,-0.4 -0.904 74.4-156.8-134.6 105.7 44.9 -12.1 19.2 48 48 A L T 4 S+ 0 0 54 -3,-0.4 4,-0.2 -2,-0.4 -1,-0.1 0.796 96.4 36.4 -52.4 -29.5 43.3 -15.1 21.0 49 49 A Q T 4 S+ 0 0 169 2,-0.1 -1,-0.2 -4,-0.1 4,-0.2 0.753 127.4 31.7 -95.9 -25.5 46.5 -15.6 23.0 50 50 A N T 4 S+ 0 0 86 -3,-0.3 4,-0.5 2,-0.1 -2,-0.2 0.666 99.2 74.2-107.2 -21.6 47.7 -12.1 23.6 51 51 A T S >< S+ 0 0 12 -4,-2.9 3,-1.6 1,-0.2 4,-0.4 0.907 90.2 57.3 -68.2 -42.9 44.5 -9.9 23.9 52 52 A A G > S+ 0 0 0 -5,-0.4 3,-1.7 1,-0.3 -1,-0.2 0.916 104.9 53.2 -52.3 -46.8 43.4 -11.0 27.4 53 53 A G G 3 S+ 0 0 43 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.2 0.638 108.7 50.0 -66.6 -14.6 46.7 -9.9 28.9 54 54 A Q G < S+ 0 0 138 -3,-1.6 2,-0.4 -4,-0.5 -1,-0.3 0.349 97.5 87.1-101.6 2.7 46.4 -6.4 27.3 55 55 A T S < S- 0 0 10 -3,-1.7 -35,-0.2 -4,-0.4 -36,-0.1 -0.843 73.4-131.0-108.0 136.6 42.8 -6.0 28.7 56 56 A Q - 0 0 114 -37,-2.7 2,-0.4 -2,-0.4 109,-0.4 -0.362 18.0-123.3 -80.2 166.3 42.0 -4.5 32.1 57 57 A T - 0 0 41 -2,-0.1 2,-0.4 107,-0.1 109,-0.2 -0.943 18.1-140.8-115.8 129.8 39.6 -6.1 34.6 58 58 A A E -f 166 0B 6 107,-2.9 109,-3.1 -2,-0.4 2,-0.5 -0.775 10.7-136.7 -94.5 131.3 36.6 -4.2 36.0 59 59 A T E +f 167 0B 78 -2,-0.4 2,-0.3 107,-0.2 109,-0.2 -0.748 35.8 158.7 -86.5 127.5 35.5 -4.6 39.6 60 60 A V E -f 168 0B 3 107,-2.8 109,-3.5 -2,-0.5 2,-0.4 -0.893 35.5-116.7-137.2 167.8 31.8 -4.9 40.1 61 61 A S E > -f 169 0B 32 -2,-0.3 3,-2.3 107,-0.2 109,-0.2 -0.876 37.4-100.3-106.1 144.0 29.4 -6.2 42.8 62 62 A A T 3 S+ 0 0 6 107,-2.3 70,-0.2 -2,-0.4 3,-0.1 -0.408 114.2 34.0 -54.9 130.2 27.0 -9.1 42.3 63 63 A G T 3 S+ 0 0 26 67,-1.9 -1,-0.3 1,-0.4 69,-0.2 0.172 88.7 132.4 103.0 -17.2 23.6 -7.5 41.7 64 64 A D < - 0 0 48 -3,-2.3 66,-3.4 67,-0.2 2,-0.5 -0.347 56.6-128.1 -66.1 144.6 25.0 -4.5 39.8 65 65 A T E + C 0 129A 81 64,-0.3 2,-0.3 -55,-0.2 64,-0.2 -0.826 42.3 157.6 -86.3 133.5 23.5 -3.4 36.5 66 66 A V E + C 0 128A 2 62,-2.7 62,-2.5 -2,-0.5 2,-0.3 -0.816 10.3 170.1-139.7-178.2 26.2 -3.1 33.8 67 67 A G E -AC 8 127A 0 -59,-1.9 -59,-3.4 -2,-0.3 2,-0.3 -0.968 27.6-100.3-169.8-169.0 26.3 -3.2 30.0 68 68 A F E -AC 7 126A 0 58,-2.4 58,-2.9 -2,-0.3 2,-0.5 -0.964 18.8-146.8-127.8 149.7 28.0 -2.7 26.7 69 69 A K E -AC 6 125A 58 -63,-2.4 -63,-1.4 -2,-0.3 56,-0.2 -0.986 17.9-141.5-113.8 126.3 27.8 0.1 24.1 70 70 A A - 0 0 1 54,-2.7 -66,-0.2 -2,-0.5 4,-0.1 -0.407 23.2-115.9 -75.5 158.1 28.1 -0.9 20.5 71 71 A N S S+ 0 0 69 -68,-2.0 2,-0.3 -2,-0.1 -67,-0.1 0.609 97.1 0.4 -73.2 -12.0 30.0 1.3 18.0 72 72 A S S S- 0 0 38 -69,-0.3 -2,-0.2 52,-0.1 -70,-0.0 -0.911 106.6 -52.9-150.8-178.4 26.8 2.0 16.2 73 73 A A - 0 0 38 -2,-0.3 2,-1.9 1,-0.1 51,-0.3 -0.358 57.1-114.4 -53.5 140.0 23.1 1.1 16.4 74 74 A I + 0 0 7 49,-3.6 49,-0.4 1,-0.2 -1,-0.1 -0.639 51.6 173.2 -81.1 83.2 22.7 -2.7 16.6 75 75 A Y + 0 0 68 -2,-1.9 -1,-0.2 47,-0.1 295,-0.1 0.466 38.8 86.2 -89.3 -6.8 21.0 -2.4 13.2 76 76 A H S S- 0 0 3 -3,-0.1 2,-0.2 44,-0.1 44,-0.1 -0.755 82.9-111.9 -89.2 143.8 20.5 -6.1 12.1 77 77 A P + 0 0 0 0, 0.0 71,-3.1 0, 0.0 72,-0.5 -0.512 64.8 104.5 -66.1 136.5 17.4 -7.9 13.3 78 78 A G E -G 147 0B 14 69,-0.3 2,-0.4 -2,-0.2 42,-0.2 -0.981 65.1 -64.2-178.5-165.6 18.3 -10.7 15.7 79 79 A Y E -G 146 0B 0 67,-1.9 67,-3.4 -2,-0.3 2,-0.4 -0.902 38.9-158.0-107.2 137.9 18.5 -12.3 19.1 80 80 A L E +GH 145 108B 6 28,-2.2 28,-2.8 -2,-0.4 2,-0.3 -0.957 15.4 168.5-119.2 139.1 20.7 -10.9 21.8 81 81 A D E -GH 144 107B 0 63,-2.8 63,-2.5 -2,-0.4 2,-0.4 -0.987 23.3-149.3-141.7 157.7 22.1 -12.7 24.8 82 82 A V E -GH 143 106B 0 24,-2.5 23,-2.7 -2,-0.3 24,-1.4 -0.996 20.5-177.4-124.8 126.7 24.7 -12.2 27.6 83 83 A M E -GH 142 104B 0 59,-2.6 59,-3.2 -2,-0.4 2,-0.3 -0.860 7.6-156.0-120.6 156.7 26.5 -15.2 29.0 84 84 A M E -GH 141 103B 0 19,-3.1 19,-2.6 -2,-0.3 57,-0.2 -0.955 6.9-172.5-131.4 153.0 29.0 -15.4 31.8 85 85 A S E -G 140 0B 0 55,-2.0 55,-2.8 -2,-0.3 17,-0.2 -0.994 33.9-109.1-140.0 139.3 31.8 -17.8 32.8 86 86 A P E -G 139 0B 44 0, 0.0 2,-0.6 0, 0.0 11,-0.6 -0.440 39.9-132.0 -54.8 141.9 34.0 -18.1 35.9 87 87 A A - 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