==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 08-FEB-06 2FYH . COMPND 2 MOLECULE: PUTATIVE INTEGRAL MEMBRANE TRANSPORT PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR K.OKADA,T.MATSUDA,T.SAKAMOTO,Y.MUTO,S.YOKOYAMA,A.KANAI,G.KAW . 190 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12351.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 141 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 27.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 20 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 24.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 0 0 0 0 0 1 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 0 1 0 4 0 1 0 1 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 0 1 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 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 63 0, 0.0 2,-2.9 0, 0.0 165,-0.2 0.000 360.0 360.0 360.0 41.1 9.9 -12.4 6.2 2 2 A R E -A 165 0A 110 163,-1.9 163,-1.1 46,-0.1 46,-0.2 -0.369 360.0-176.2 -72.6 66.3 7.2 -11.0 3.9 3 3 A A E +AB 164 47A 2 -2,-2.9 44,-2.6 44,-1.9 43,-1.3 -0.226 9.2 165.1 -64.0 155.0 9.2 -7.8 3.3 4 4 A F E -AB 163 45A 10 159,-1.7 159,-2.1 42,-0.2 2,-0.4 -0.790 31.7-129.7-175.0 128.6 7.7 -5.0 1.2 5 5 A I E +AB 162 44A 0 39,-1.6 38,-1.8 157,-0.2 39,-1.5 -0.694 33.0 174.4 -87.4 132.3 8.5 -1.3 0.6 6 6 A A E -AB 161 42A 3 155,-3.4 155,-2.2 -2,-0.4 2,-0.5 -0.812 30.9-111.2-130.8 170.9 5.6 1.1 1.0 7 7 A I E - B 0 41A 3 34,-1.6 34,-1.0 -2,-0.3 153,-0.1 -0.923 35.9-112.8-110.5 122.0 5.1 4.9 0.9 8 8 A D - 0 0 76 -2,-0.5 2,-0.7 151,-0.3 151,-0.0 -0.189 24.6-148.2 -50.0 133.5 4.2 6.8 4.1 9 9 A V > - 0 0 6 148,-0.0 5,-0.9 4,-0.0 -1,-0.1 -0.781 15.4-139.3-111.7 87.4 0.7 8.1 4.0 10 10 A S T >>5 - 0 0 68 -2,-0.7 3,-2.7 3,-0.1 4,-1.6 0.088 35.8 -92.3 -39.0 154.0 0.6 11.4 6.0 11 11 A E H 3>>S+ 0 0 144 1,-0.3 4,-2.3 2,-0.2 5,-0.8 0.867 123.9 73.2 -37.7 -50.1 -2.5 11.8 8.2 12 12 A S H 345S+ 0 0 60 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.826 115.2 22.5 -34.3 -45.0 -4.0 13.7 5.3 13 13 A V H <>5S+ 0 0 3 -3,-2.7 4,-1.7 2,-0.2 3,-0.4 0.928 120.2 55.9 -89.4 -62.8 -4.4 10.3 3.6 14 14 A R H X>X S+ 0 0 9 -4,-2.1 4,-2.3 1,-0.2 3,-0.5 0.938 104.7 56.1 -55.7 -50.4 -14.5 3.2 6.3 22 22 A D H 3< S+ 0 0 119 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.880 108.2 48.8 -49.8 -42.4 -16.4 4.7 9.2 23 23 A Y H 3< S+ 0 0 124 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.837 115.0 46.3 -67.9 -33.5 -19.2 5.5 6.8 24 24 A I H << S+ 0 0 26 -4,-1.7 3,-0.4 -3,-0.5 -2,-0.2 0.993 83.0 165.5 -71.9 -68.8 -19.2 2.0 5.4 25 25 A G < - 0 0 27 -4,-2.3 4,-0.3 1,-0.2 3,-0.2 0.201 51.6 -94.7 68.8 164.5 -19.1 -0.1 8.6 26 26 A S S S+ 0 0 75 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 -0.251 78.7 124.7-109.9 43.5 -19.8 -3.8 8.8 27 27 A K S S- 0 0 184 -3,-0.4 -1,-0.2 1,-0.1 -2,-0.1 0.990 94.0 -1.7 -64.3 -62.7 -23.4 -3.6 9.8 28 28 A E S S+ 0 0 82 -3,-0.2 107,-0.4 1,-0.1 2,-0.3 0.849 131.6 57.2 -96.5 -47.0 -24.9 -5.7 7.0 29 29 A A S S- 0 0 6 -4,-0.3 2,-0.9 105,-0.2 105,-0.3 -0.661 80.3-130.0 -89.8 143.0 -21.8 -6.6 5.0 30 30 A K + 0 0 71 103,-2.2 102,-2.8 -2,-0.3 2,-0.4 -0.810 38.6 160.8 -96.3 104.6 -18.9 -8.4 6.7 31 31 A I E -D 131 0B 11 -2,-0.9 2,-1.4 100,-0.2 100,-0.2 -0.971 31.4-150.2-129.6 118.8 -15.6 -6.6 5.8 32 32 A K E -D 130 0B 150 98,-1.5 98,-0.6 -2,-0.4 -2,-0.1 -0.668 24.4-158.3 -88.1 87.3 -12.4 -7.0 7.8 33 33 A F E -D 129 0B 53 -2,-1.4 2,-0.2 96,-0.2 96,-0.2 -0.079 15.7-111.9 -59.2 164.1 -10.8 -3.6 7.4 34 34 A V - 0 0 46 94,-1.3 -1,-0.1 1,-0.2 4,-0.1 -0.644 39.2 -80.5-100.3 158.8 -7.0 -3.2 7.9 35 35 A E > - 0 0 114 -2,-0.2 3,-0.9 3,-0.1 -1,-0.2 -0.011 37.6-119.1 -50.4 159.6 -5.2 -1.4 10.6 36 36 A R G > S+ 0 0 132 1,-0.2 3,-1.2 2,-0.2 -1,-0.1 0.920 115.1 47.3 -69.7 -45.5 -4.8 2.4 10.3 37 37 A E G 3 S+ 0 0 125 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.105 105.5 65.3 -83.6 23.4 -1.0 2.3 10.2 38 38 A N G < + 0 0 28 -3,-0.9 -1,-0.2 -4,-0.1 -2,-0.2 0.225 69.0 92.8-126.4 9.4 -1.2 -0.5 7.6 39 39 A F < + 0 0 1 -3,-1.2 -2,-0.1 -5,-0.1 -3,-0.1 0.304 54.8 141.5 -86.3 9.3 -2.8 1.5 4.8 40 40 A H - 0 0 16 1,-0.1 2,-0.4 -34,-0.1 -32,-0.1 -0.259 61.5-109.1 -54.5 133.1 0.7 2.2 3.4 41 41 A I E -B 7 0A 5 -34,-1.0 -34,-1.6 1,-0.1 2,-0.9 -0.528 28.3-126.8 -69.7 120.4 0.7 2.0 -0.4 42 42 A T E +B 6 0A 55 83,-0.6 83,-0.3 -2,-0.4 -36,-0.2 -0.563 31.7 176.3 -72.0 105.6 2.6 -1.0 -1.5 43 43 A L E S+ 0 0 6 -38,-1.8 2,-0.4 -2,-0.9 -37,-0.2 0.955 70.9 0.0 -74.3 -53.1 5.3 0.3 -3.9 44 44 A K E -B 5 0A 8 -39,-1.5 -39,-1.6 63,-0.1 2,-0.4 -0.952 68.5-141.4-144.9 121.2 7.1 -3.0 -4.6 45 45 A F E +B 4 0A 87 -2,-0.4 -41,-0.2 -41,-0.2 -42,-0.1 -0.672 25.7 165.3 -84.1 129.6 6.2 -6.5 -3.1 46 46 A L E + 0 0 16 -43,-1.3 2,-0.3 -2,-0.4 71,-0.2 0.786 15.3 179.7-108.0 -48.9 9.2 -8.6 -2.2 47 47 A G E +B 3 0A 7 -44,-2.6 -44,-1.9 2,-0.0 -1,-0.1 -0.630 54.1 25.0 84.0-137.3 7.8 -11.4 -0.0 48 48 A E S S+ 0 0 136 -2,-0.3 2,-0.3 -46,-0.2 -46,-0.1 -0.367 73.4 164.0 -65.3 140.5 10.1 -14.1 1.3 49 49 A I - 0 0 8 -2,-0.1 2,-0.3 -48,-0.1 -2,-0.0 -0.989 33.6-114.0-155.5 158.5 13.8 -13.0 1.7 50 50 A T >> - 0 0 70 -2,-0.3 4,-3.1 1,-0.1 3,-0.5 -0.709 29.1-117.5 -98.4 148.6 17.1 -14.1 3.3 51 51 A E T 34 S+ 0 0 150 -2,-0.3 4,-0.3 1,-0.3 -1,-0.1 0.750 119.7 51.8 -52.3 -23.9 18.9 -12.1 6.0 52 52 A E T >> S+ 0 0 131 2,-0.1 4,-0.6 1,-0.1 3,-0.5 0.864 111.8 42.7 -81.4 -39.4 21.7 -11.9 3.5 53 53 A Q H X> S+ 0 0 45 -3,-0.5 4,-1.7 1,-0.2 3,-0.9 0.827 94.6 79.8 -75.7 -33.1 19.5 -10.5 0.6 54 54 A A H 3X S+ 0 0 10 -4,-3.1 4,-1.0 1,-0.3 -1,-0.2 0.805 95.6 49.4 -42.6 -34.3 17.6 -8.1 2.9 55 55 A E H <> S+ 0 0 85 -3,-0.5 4,-1.9 -4,-0.3 -1,-0.3 0.871 103.7 59.2 -75.3 -38.4 20.7 -5.9 2.5 56 56 A E H X S+ 0 0 144 -4,-1.5 3,-1.5 -3,-0.5 4,-1.4 0.949 119.3 44.2 -84.5 -60.3 20.2 4.1 -5.7 64 64 A I H >X S+ 0 0 6 -4,-3.3 3,-1.8 1,-0.3 4,-1.7 0.951 113.5 50.2 -48.9 -60.3 16.7 4.1 -7.3 65 65 A A H 3< S+ 0 0 46 -4,-2.3 -1,-0.3 1,-0.3 -3,-0.2 0.655 113.0 51.3 -55.2 -13.4 15.2 6.5 -4.8 66 66 A K H <4 S+ 0 0 168 -3,-1.5 -1,-0.3 -5,-0.4 -2,-0.2 0.669 107.8 49.1 -96.6 -22.3 18.3 8.6 -5.6 67 67 A K H << S+ 0 0 126 -3,-1.8 -2,-0.2 -4,-1.4 2,-0.2 0.627 108.1 65.1 -90.3 -16.4 17.8 8.5 -9.4 68 68 A Y S < S- 0 0 41 -4,-1.7 2,-0.2 -5,-0.2 31,-0.0 -0.569 74.3-135.3-103.1 168.7 14.1 9.5 -9.0 69 69 A K - 0 0 180 -2,-0.2 2,-0.8 30,-0.0 -1,-0.1 -0.474 28.2 -92.9-112.3-174.9 12.5 12.7 -7.8 70 70 A K - 0 0 109 -2,-0.2 88,-0.1 86,-0.1 2,-0.1 -0.843 44.4-173.0-107.3 98.5 9.6 13.6 -5.5 71 71 A H - 0 0 70 -2,-0.8 86,-1.2 86,-0.3 2,-0.7 -0.451 24.4-121.4 -86.8 161.7 6.4 14.0 -7.5 72 72 A E E +E 156 0B 125 84,-0.2 84,-0.2 -2,-0.1 2,-0.2 -0.872 41.2 165.8-109.1 102.1 3.0 15.2 -6.1 73 73 A V E -E 155 0B 9 82,-1.5 82,-2.0 -2,-0.7 2,-0.3 -0.457 24.2-133.2-105.5 179.6 0.2 12.7 -6.7 74 74 A N E -E 154 0B 37 80,-0.2 21,-3.0 -2,-0.2 2,-0.7 -0.981 8.1-133.2-137.6 148.8 -3.3 12.3 -5.3 75 75 A V E +EF 153 94B 3 78,-3.1 77,-1.6 -2,-0.3 78,-0.9 -0.893 46.8 131.4-106.4 112.7 -5.3 9.4 -3.8 76 76 A R E +E 151 0B 112 17,-0.9 75,-0.1 -2,-0.7 73,-0.1 -0.991 34.5 43.6-156.9 152.6 -8.8 9.1 -5.2 77 77 A G E - 0 0 14 73,-0.5 16,-3.3 -2,-0.3 2,-0.4 0.354 56.4-134.7 86.1 140.0 -11.2 6.4 -6.6 78 78 A I E - F 0 92B 32 14,-0.3 2,-0.3 66,-0.2 14,-0.3 -0.996 13.7-161.7-134.2 134.7 -11.8 2.9 -5.4 79 79 A G E - F 0 91B 18 12,-2.0 12,-1.8 -2,-0.4 2,-0.3 -0.804 3.5-154.6-115.0 156.6 -12.0 -0.3 -7.3 80 80 A V E - F 0 90B 15 -2,-0.3 10,-0.2 10,-0.2 7,-0.1 -0.864 21.3 -94.4-126.5 161.3 -13.5 -3.8 -6.5 81 81 A F E S- F 0 89B 114 8,-1.0 7,-2.9 -2,-0.3 8,-1.6 -0.981 86.4 -7.2-143.6 154.0 -12.8 -7.3 -7.7 82 82 A P E S- F 0 87B 67 0, 0.0 5,-0.1 0, 0.0 -2,-0.1 -0.917 128.4 -43.0 -69.6 -25.3 -13.5 -9.4 -9.4 83 83 A N E > - F 0 86B 94 3,-1.3 3,-1.0 1,-0.1 -2,-0.2 -0.989 49.0-103.0-159.6 158.6 -16.4 -7.1 -10.3 84 84 A P T > S+ 0 0 79 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.946 117.0 57.9 -47.6 -61.7 -18.9 -4.6 -8.8 85 85 A N T 3 S+ 0 0 142 1,-0.3 2,-0.3 -3,-0.1 56,-0.1 0.802 122.6 29.4 -41.2 -34.0 -21.9 -7.0 -9.1 86 86 A Y E < S-F 83 0B 149 -3,-1.0 -3,-1.3 -6,-0.0 2,-0.5 -0.760 79.6-173.0-134.5 88.3 -19.8 -9.3 -6.9 87 87 A V E < +F 82 0B 19 -3,-0.6 3,-0.1 -2,-0.3 53,-0.0 -0.700 22.1 149.9 -85.3 125.4 -17.4 -7.6 -4.6 88 88 A R E + 0 0 116 -7,-2.9 43,-2.4 -2,-0.5 2,-0.4 0.584 68.5 34.5-123.5 -28.7 -15.0 -9.9 -2.8 89 89 A V E -FG 81 130B 25 -8,-1.6 -8,-1.0 41,-0.2 2,-0.4 -0.954 69.4-150.8-137.4 116.5 -11.9 -7.7 -2.2 90 90 A I E +FG 80 129B 18 39,-2.7 38,-1.8 -2,-0.4 39,-1.2 -0.710 24.9 164.5 -88.4 132.1 -12.0 -3.9 -1.6 91 91 A W E -FG 79 127B 40 -12,-1.8 -12,-2.0 -2,-0.4 36,-0.3 -0.995 27.5-133.0-149.1 141.0 -9.1 -1.8 -2.8 92 92 A A E -FG 78 126B 0 34,-2.6 34,-1.5 -2,-0.3 2,-0.4 -0.472 19.2-135.1 -90.1 162.9 -8.5 1.9 -3.4 93 93 A G E - 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