==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ATP-BINDING PROTEIN 15-APR-09 2WFW . COMPND 2 MOLECULE: ARC; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS ERYTHROPOLIS; . AUTHOR S.DJURANOVIC,M.D.HARTMANN,M.HABECK,A.URSINUS,P.ZWICKL,J.MART . 373 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19141.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 242 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 148 39.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 30 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 0 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 RESIDUES PER ALPHA HELIX . 3 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 3 12 9 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 . 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 1 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 80 A P 0 0 48 0, 0.0 2,-0.3 0, 0.0 47,-0.2 0.000 360.0 360.0 360.0 143.7 47.3 13.1 28.1 2 81 A S B -A 279 0A 13 277,-2.4 277,-2.5 45,-0.1 45,-0.2 -0.892 360.0-156.9-120.2 151.0 49.6 15.1 25.7 3 82 A G E -G 46 0B 7 43,-2.4 43,-2.9 -2,-0.3 2,-0.3 -0.495 16.3-134.0-107.6-172.9 52.4 14.3 23.4 4 83 A Y E +G 45 0B 29 273,-0.4 17,-0.4 41,-0.3 2,-0.3 -0.933 19.7 174.7-141.8 159.4 55.2 16.4 22.1 5 84 A G E -G 44 0B 7 39,-2.3 39,-2.8 -2,-0.3 2,-0.5 -0.948 35.2-101.0-154.0 176.0 57.1 17.3 18.9 6 85 A V E -GH 43 19B 6 13,-2.3 13,-2.8 -2,-0.3 2,-0.3 -0.918 37.4-123.8-104.7 123.3 59.8 19.7 17.6 7 86 A L E + H 0 18B 1 35,-3.2 34,-2.4 -2,-0.5 11,-0.2 -0.549 34.1 170.5 -69.1 130.5 58.5 22.8 15.7 8 87 A L E - 0 0 27 9,-3.2 2,-0.3 1,-0.4 10,-0.2 0.744 57.8 -13.3-107.7 -38.1 60.0 23.0 12.2 9 88 A S E - H 0 17B 31 8,-1.5 8,-2.3 30,-0.1 2,-0.4 -0.987 50.4-131.6-162.4 159.0 58.1 25.8 10.5 10 89 A V E - H 0 16B 53 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.959 26.0-145.8-116.2 138.2 55.1 28.1 10.6 11 90 A H > - 0 0 35 4,-3.2 3,-1.6 -2,-0.4 -2,-0.0 -0.566 26.3-108.6-100.9 165.7 52.9 28.5 7.5 12 91 A E T 3 S+ 0 0 193 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.761 118.0 56.2 -63.2 -24.5 51.0 31.5 6.3 13 92 A D T 3 S- 0 0 103 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.171 122.0-103.8 -94.2 13.8 47.6 30.0 7.3 14 93 A K S < S+ 0 0 139 -3,-1.6 15,-0.3 1,-0.3 2,-0.1 0.457 83.2 125.7 75.9 5.2 48.8 29.5 10.9 15 94 A T - 0 0 18 13,-0.1 -4,-3.2 -5,-0.0 2,-0.3 -0.435 46.9-148.6 -79.7 167.7 49.4 25.8 10.6 16 95 A V E -HI 10 27B 1 11,-2.6 11,-3.0 -6,-0.2 2,-0.5 -0.973 13.6-124.7-137.6 149.1 52.8 24.5 11.5 17 96 A D E +HI 9 26B 9 -8,-2.3 -9,-3.2 -2,-0.3 -8,-1.5 -0.862 36.5 180.0 -91.4 131.3 55.2 21.7 10.5 18 97 A V E -HI 7 25B 0 7,-2.7 7,-2.5 -2,-0.5 2,-0.8 -0.995 29.2-135.0-133.6 139.3 56.2 19.6 13.5 19 98 A F E +HI 6 24B 37 -13,-2.8 -13,-2.3 -2,-0.4 2,-0.3 -0.851 48.9 143.3 -93.9 113.1 58.5 16.5 13.9 20 99 A T E > + I 0 23B 8 3,-2.7 3,-1.6 -2,-0.8 -15,-0.1 -0.990 55.3 16.9-153.5 150.4 56.5 14.1 16.0 21 100 A S T 3 S- 0 0 90 -17,-0.4 -1,-0.1 -2,-0.3 3,-0.1 0.879 132.6 -57.7 47.4 40.4 56.1 10.3 16.2 22 101 A G T 3 S+ 0 0 48 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.527 121.0 69.2 75.4 10.6 59.2 10.0 14.0 23 102 A R E < S-I 20 0B 101 -3,-1.6 -3,-2.7 -5,-0.1 2,-0.3 -0.973 83.9 -93.6-153.1 165.0 58.0 12.1 11.0 24 103 A K E +I 19 0B 65 -2,-0.3 106,-0.4 -5,-0.2 2,-0.3 -0.658 43.3 177.9 -80.6 134.6 57.1 15.6 9.8 25 104 A M E -I 18 0B 12 -7,-2.5 -7,-2.7 -2,-0.3 2,-0.6 -0.989 30.0-130.1-133.0 147.3 53.4 16.5 10.1 26 105 A R E +IJ 17 128B 29 102,-2.4 102,-1.8 -2,-0.3 2,-0.3 -0.887 41.4 174.6 -94.6 122.2 51.4 19.7 9.3 27 106 A L E -I 16 0B 2 -11,-3.0 -11,-2.6 -2,-0.6 2,-0.2 -0.798 27.3-120.9-128.5 161.0 49.3 20.5 12.3 28 107 A T - 0 0 78 -2,-0.3 24,-2.7 22,-0.3 2,-0.3 -0.643 24.8-129.0 -99.5 165.4 46.9 23.2 13.5 29 108 A C B -k 52 0B 28 -15,-0.3 24,-0.2 22,-0.2 22,-0.1 -0.788 20.5-108.6-113.8 154.1 47.3 25.3 16.7 30 109 A S > - 0 0 16 22,-3.0 3,-1.7 -2,-0.3 -1,-0.1 -0.238 40.1 -99.3 -70.3 167.0 44.9 26.0 19.5 31 110 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 22,-0.1 0.735 121.0 61.5 -59.0 -22.2 43.3 29.5 19.9 32 111 A N T 3 S+ 0 0 145 21,-0.1 2,-0.6 2,-0.1 21,-0.1 0.573 81.8 94.5 -81.3 -15.3 45.9 30.3 22.6 33 112 A I < - 0 0 27 -3,-1.7 2,-0.9 19,-0.2 -4,-0.1 -0.718 57.8-161.8 -85.2 119.3 48.9 30.0 20.3 34 113 A D > - 0 0 89 -2,-0.6 3,-2.1 1,-0.2 4,-0.3 -0.894 6.6-162.1 -95.3 104.0 50.1 33.2 18.8 35 114 A T G > S+ 0 0 18 -2,-0.9 3,-1.2 1,-0.3 -1,-0.2 0.730 83.1 72.0 -65.8 -18.9 52.1 31.7 16.0 36 115 A D G 3 S+ 0 0 144 1,-0.3 -1,-0.3 -3,-0.1 -26,-0.0 0.758 99.0 47.8 -63.6 -23.1 53.9 35.1 15.6 37 116 A T G < S+ 0 0 102 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.413 85.4 117.1-100.4 -1.3 55.7 34.4 18.9 38 117 A L < - 0 0 26 -3,-1.2 2,-0.5 -4,-0.3 -28,-0.1 -0.314 53.9-145.6 -69.6 150.3 56.8 30.8 18.1 39 118 A A > - 0 0 32 -30,-0.0 3,-2.1 18,-0.0 -32,-0.2 -0.991 22.9-115.3-119.0 125.6 60.6 29.9 17.9 40 119 A L T 3 S+ 0 0 77 -2,-0.5 53,-0.5 1,-0.3 -32,-0.2 -0.265 100.3 26.3 -63.9 137.4 61.7 27.4 15.3 41 120 A G T 3 S+ 0 0 0 -34,-2.4 18,-0.4 1,-0.3 -1,-0.3 0.177 89.2 130.4 97.8 -19.4 63.1 24.3 17.0 42 121 A Q < - 0 0 19 -3,-2.1 -35,-3.2 16,-0.1 -1,-0.3 -0.315 65.4-104.3 -66.0 153.7 61.2 24.6 20.3 43 122 A T E -G 6 0B 14 14,-3.0 13,-3.3 -37,-0.2 2,-0.4 -0.600 36.6-159.5 -74.2 135.8 59.3 21.7 21.7 44 123 A V E -GL 5 55B 1 -39,-2.8 -39,-2.3 -2,-0.3 2,-0.4 -0.925 11.9-131.7-117.5 144.2 55.5 21.9 21.2 45 124 A R E -GL 4 54B 48 9,-2.7 8,-3.0 -2,-0.4 9,-1.1 -0.810 22.7-160.7 -95.2 136.6 52.9 20.1 23.3 46 125 A L E -GL 3 52B 2 -43,-2.9 -43,-2.4 -2,-0.4 6,-0.2 -0.928 8.0-140.5-121.8 135.7 50.1 18.3 21.3 47 126 A N > - 0 0 55 4,-2.2 3,-2.3 -2,-0.4 -45,-0.1 -0.219 46.4 -83.1 -81.0-177.7 46.7 17.1 22.5 48 127 A E T 3 S+ 0 0 136 1,-0.3 -1,-0.1 -47,-0.2 -46,-0.1 0.816 133.1 53.5 -56.3 -32.4 45.1 13.8 21.4 49 128 A A T 3 S- 0 0 66 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.412 119.0-112.4 -82.1 -0.9 43.9 15.4 18.2 50 129 A L < + 0 0 53 -3,-2.3 2,-0.3 1,-0.3 -22,-0.3 0.688 67.0 148.1 71.9 23.7 47.5 16.6 17.4 51 130 A T - 0 0 30 -24,-0.1 -4,-2.2 -22,-0.1 2,-0.6 -0.710 56.0-114.2 -80.8 135.7 46.6 20.3 17.9 52 131 A I E +kL 29 46B 2 -24,-2.7 -22,-3.0 -2,-0.3 -6,-0.2 -0.628 42.3 169.1 -70.7 120.5 49.5 22.4 19.3 53 132 A V E + 0 0 38 -8,-3.0 2,-0.3 -2,-0.6 -7,-0.2 0.557 60.3 16.7-109.8 -12.6 48.3 23.5 22.7 54 133 A E E - L 0 45B 73 -9,-1.1 -9,-2.7 -21,-0.0 2,-0.5 -0.972 60.4-141.2-161.9 142.4 51.5 24.9 24.2 55 134 A A E + L 0 44B 39 -2,-0.3 -11,-0.2 -11,-0.2 2,-0.1 -0.954 33.3 173.4-110.9 128.4 54.9 26.1 23.0 56 135 A G - 0 0 35 -13,-3.3 2,-0.1 -2,-0.5 -14,-0.1 -0.096 29.8 -66.0-113.7-148.7 57.8 25.2 25.2 57 136 A T - 0 0 99 -15,-0.2 -14,-3.0 1,-0.2 -1,-0.3 -0.297 57.6 -79.7 -97.1-178.2 61.6 25.3 25.4 58 137 A Y - 0 0 49 -16,-0.2 -1,-0.2 1,-0.1 -16,-0.1 -0.520 59.8 -82.6 -80.6 154.7 64.3 23.5 23.4 59 138 A E - 0 0 42 -18,-0.4 -1,-0.1 -2,-0.2 50,-0.1 -0.209 38.5-167.9 -50.8 144.5 65.2 19.9 24.1 60 139 A Q + 0 0 81 1,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.451 63.7 46.9-120.0 -7.6 67.7 19.6 27.0 61 140 A V S S+ 0 0 29 268,-0.1 2,-0.3 48,-0.0 281,-0.2 -0.934 75.0 69.3-133.6 159.6 68.9 16.0 26.7 62 141 A G E S+M 341 0C 8 279,-2.0 279,-2.9 -2,-0.3 49,-0.1 -0.926 74.1 1.7 134.8-159.7 70.0 13.8 23.9 63 142 A E E -MN 340 110C 35 47,-0.6 47,-2.7 -2,-0.3 2,-0.4 -0.280 52.2-142.5 -68.9 147.4 72.8 13.3 21.4 64 143 A I E + N 0 109C 8 275,-2.3 275,-0.4 45,-0.2 2,-0.3 -0.920 21.6 175.9-110.1 136.5 76.0 15.4 21.3 65 144 A S E - N 0 108C 3 43,-2.6 43,-3.4 -2,-0.4 2,-0.4 -0.909 28.1-115.8-132.2 161.4 77.7 16.3 18.0 66 145 A T E -ON 80 107C 54 14,-3.0 14,-2.8 -2,-0.3 2,-0.2 -0.856 27.3-120.6-105.1 132.5 80.7 18.5 17.1 67 146 A L E +O 79 0C 4 39,-2.8 12,-0.2 -2,-0.4 3,-0.1 -0.481 32.6 170.2 -69.5 128.5 80.3 21.7 15.1 68 147 A R E - 0 0 117 10,-3.1 35,-0.3 1,-0.3 2,-0.3 0.770 64.6 -23.5 -99.8 -47.6 82.3 21.7 11.8 69 148 A E E -O 78 0C 47 9,-1.5 9,-3.2 34,-0.2 2,-0.5 -0.941 50.7-122.4-162.6 141.7 81.0 24.9 10.1 70 149 A V E -O 77 0C 21 -2,-0.3 7,-0.3 7,-0.2 33,-0.0 -0.769 46.1-116.4 -77.8 131.9 78.0 27.2 10.0 71 150 A L > - 0 0 12 5,-2.5 3,-2.2 -2,-0.5 5,-0.1 -0.241 25.1-101.2 -70.5 162.6 76.7 27.3 6.5 72 151 A D T 3 S+ 0 0 158 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.812 118.9 63.1 -53.3 -36.5 76.7 30.4 4.4 73 152 A D T 3 S- 0 0 62 1,-0.1 -1,-0.3 3,-0.0 -2,-0.0 0.737 99.3-134.1 -63.0 -20.5 73.0 31.0 5.0 74 153 A G S < S+ 0 0 27 -3,-2.2 -2,-0.1 2,-0.3 -1,-0.1 0.618 89.1 86.2 73.1 11.5 73.6 31.4 8.7 75 154 A L S S+ 0 0 99 1,-0.1 16,-2.5 15,-0.0 2,-0.3 0.602 85.5 39.0-110.7 -27.0 70.6 29.1 9.3 76 155 A R E - P 0 90C 17 14,-0.3 -5,-2.5 -5,-0.1 2,-0.3 -0.831 62.2-155.4-128.1 162.0 72.2 25.6 9.2 77 156 A A E -OP 70 89C 0 12,-2.6 12,-2.5 -2,-0.3 2,-0.5 -0.990 19.3-125.5-141.0 152.4 75.4 23.9 10.4 78 157 A L E -OP 69 88C 7 -9,-3.2 -10,-3.1 -2,-0.3 -9,-1.5 -0.865 37.3-179.3 -94.7 126.7 77.5 20.9 9.5 79 158 A V E -OP 67 87C 1 8,-2.8 8,-2.5 -2,-0.5 2,-0.5 -0.879 18.4-145.3-130.2 149.3 77.9 18.8 12.5 80 159 A V E -OP 66 86C 17 -14,-2.8 -14,-3.0 -2,-0.3 6,-0.2 -0.984 16.0-157.4-126.2 126.6 79.8 15.5 13.0 81 160 A G > - 0 0 10 4,-2.9 3,-1.4 -2,-0.5 -16,-0.1 -0.044 39.0 -73.4 -89.1-167.2 78.7 12.7 15.4 82 161 A H T 3 S+ 0 0 62 1,-0.3 -17,-0.0 -18,-0.3 256,-0.0 0.793 128.8 39.1 -65.5 -40.9 80.4 9.9 17.2 83 162 A A T 3 S- 0 0 39 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 -0.087 127.9 -94.0 -98.7 31.8 81.1 7.4 14.3 84 163 A D < + 0 0 116 -3,-1.4 2,-0.7 1,-0.2 -2,-0.2 0.761 69.0 164.9 59.5 31.4 82.0 10.4 12.2 85 164 A E - 0 0 37 123,-0.1 -4,-2.9 122,-0.1 2,-0.3 -0.704 25.2-151.0 -75.5 114.1 78.5 10.7 10.8 86 165 A E E +P 80 0C 49 -2,-0.7 104,-2.4 104,-0.4 2,-0.3 -0.718 23.3 167.9 -85.9 138.2 78.3 14.2 9.2 87 166 A R E -PQ 79 189C 61 -8,-2.5 -8,-2.8 -2,-0.3 2,-0.5 -0.975 34.2-125.4-143.1 159.1 74.9 15.9 9.1 88 167 A I E +PQ 78 188C 0 100,-2.9 100,-2.2 -2,-0.3 2,-0.3 -0.927 34.8 177.0-102.4 133.9 73.3 19.2 8.3 89 168 A V E -P 77 0C 0 -12,-2.5 -12,-2.6 -2,-0.5 27,-0.3 -0.916 31.6-109.4-130.1 155.2 71.1 20.6 11.1 90 169 A W E -Pr 76 116C 48 25,-3.2 27,-2.5 -2,-0.3 2,-0.5 -0.617 34.6-122.8 -74.9 148.0 69.1 23.8 11.7 91 170 A L E - 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