==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-MAR-09 2RQ6 . COMPND 2 MOLECULE: ATP SYNTHASE EPSILON CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOSYNECHOCOCCUS ELONGATUS; . AUTHOR H.YAGI,H.KONNO,T.MURAKAMI-FUSE,H.OROGUCHI,T.AKUTSU, . 138 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9738.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 97 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 27.5 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 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 10 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 25.4 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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 0 PARALLEL BRIDGES PER LADDER . 0 1 1 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 209 0, 0.0 2,-0.3 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 -33.4 2.1 -0.0 -1.2 2 2 A V - 0 0 61 33,-0.1 2,-0.2 32,-0.1 18,-0.2 -0.922 360.0-104.0-145.8 169.7 -0.8 1.4 -3.3 3 3 A M E -A 19 0A 0 16,-2.3 16,-2.3 -2,-0.3 2,-0.4 -0.595 20.1-148.6 -96.9 159.7 -4.1 3.2 -3.0 4 4 A T E -A 18 0A 48 14,-0.3 70,-1.9 -2,-0.2 2,-0.4 -0.878 12.6-170.3-133.6 101.7 -7.6 1.7 -3.2 5 5 A V E -Ab 17 74A 17 12,-1.3 12,-1.3 -2,-0.4 2,-0.4 -0.732 6.5-179.9 -93.5 138.3 -10.4 3.9 -4.6 6 6 A R E -Ab 16 75A 76 68,-2.4 70,-1.8 -2,-0.4 2,-0.3 -0.995 15.6-146.0-141.3 132.8 -14.0 2.8 -4.4 7 7 A V E -Ab 15 76A 13 8,-1.1 8,-1.6 -2,-0.4 7,-1.5 -0.744 18.1-178.0 -99.0 145.2 -17.2 4.5 -5.5 8 8 A I E -Ab 13 77A 27 68,-3.0 70,-1.5 -2,-0.3 5,-0.2 -0.994 9.4-156.1-142.9 147.6 -20.6 4.2 -3.8 9 9 A A - 0 0 22 3,-2.8 3,-0.4 -2,-0.3 70,-0.2 -0.833 31.5-116.3-122.3 160.6 -24.1 5.5 -4.3 10 10 A P S S+ 0 0 89 0, 0.0 3,-0.1 0, 0.0 69,-0.1 0.562 119.0 47.2 -69.8 -7.7 -27.2 6.2 -2.1 11 11 A D S S- 0 0 146 1,-0.3 2,-0.3 68,-0.1 68,-0.1 0.614 130.5 -42.8-105.8 -20.6 -29.0 3.4 -4.0 12 12 A K S S- 0 0 163 -3,-0.4 -3,-2.8 0, 0.0 2,-0.3 -0.971 72.2 -61.0 177.5-170.0 -26.2 0.8 -3.9 13 13 A T E -A 8 0A 97 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.792 28.3-166.7-102.7 143.3 -22.5 0.2 -4.3 14 14 A V E - 0 0 30 -7,-1.5 2,-0.3 -2,-0.3 -6,-0.2 0.935 48.8 -80.5 -88.4 -69.5 -20.5 0.8 -7.4 15 15 A W E -A 7 0A 174 -8,-1.6 -8,-1.1 2,-0.1 -1,-0.3 -0.974 23.1-119.9 179.9-177.6 -17.1 -0.9 -6.9 16 16 A D E +A 6 0A 90 -2,-0.3 -10,-0.3 -10,-0.3 -8,-0.0 -0.706 33.8 167.5-151.1 93.1 -13.6 -0.8 -5.4 17 17 A A E -A 5 0A 54 -12,-1.3 -12,-1.3 -2,-0.2 -2,-0.1 -0.709 35.0-103.0-107.0 158.8 -10.6 -0.9 -7.7 18 18 A P E +A 4 0A 82 0, 0.0 -14,-0.3 0, 0.0 2,-0.3 -0.068 38.1 176.5 -69.7 175.0 -6.9 -0.1 -6.9 19 19 A A E -A 3 0A 3 -16,-2.3 -16,-2.3 34,-0.1 34,-0.3 -0.900 32.9-154.6-178.3 149.4 -5.0 3.1 -7.8 20 20 A E S S+ 0 0 48 32,-3.0 15,-0.6 1,-0.4 2,-0.3 0.657 87.3 1.0-104.1 -24.2 -1.7 4.8 -7.5 21 21 A E E -EF 34 52B 60 31,-1.6 31,-2.4 13,-0.2 2,-0.5 -0.878 58.8-155.0-167.7 132.0 -2.9 8.4 -7.9 22 22 A V E -EF 33 51B 8 11,-2.4 11,-1.8 -2,-0.3 2,-0.5 -0.952 13.5-177.0-116.9 121.3 -6.3 10.1 -8.4 23 23 A I E +EF 32 50B 82 27,-1.7 27,-1.9 -2,-0.5 9,-0.2 -0.966 18.7 136.6-120.8 128.3 -6.5 13.5 -10.0 24 24 A L E -E 31 0B 18 7,-1.5 7,-1.2 -2,-0.5 2,-0.3 -0.987 55.7 -79.1-162.0 161.2 -9.8 15.4 -10.5 25 25 A P + 0 0 48 0, 0.0 20,-0.4 0, 0.0 5,-0.2 -0.499 54.6 167.6 -69.8 125.8 -11.3 18.9 -10.2 26 26 A S > - 0 0 23 -2,-0.3 3,-0.7 3,-0.1 18,-0.1 -0.572 52.1 -72.2-125.7-171.1 -12.2 19.9 -6.7 27 27 A T T 3 S+ 0 0 103 16,-0.7 4,-0.1 1,-0.3 17,-0.1 0.949 134.7 41.2 -49.4 -59.1 -13.3 22.9 -4.7 28 28 A T T 3 S- 0 0 127 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.656 123.0-110.1 -65.5 -14.4 -9.8 24.5 -4.8 29 29 A G S < S+ 0 0 42 -3,-0.7 2,-0.4 -5,-0.1 -3,-0.1 -0.246 94.6 61.9 114.4 -44.9 -9.7 23.4 -8.4 30 30 A Q - 0 0 171 -5,-0.2 2,-0.4 2,-0.0 -2,-0.2 -0.959 55.2-179.5-121.0 134.6 -7.1 20.6 -8.2 31 31 A L E +E 24 0B 22 -7,-1.2 -7,-1.5 -2,-0.4 2,-0.6 -0.917 4.1 172.7-136.5 109.1 -7.3 17.5 -6.1 32 32 A G E +E 23 0B 54 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.891 6.7 175.6-121.6 103.2 -4.5 14.9 -6.0 33 33 A I E -E 22 0B 6 -11,-1.8 -11,-2.4 -2,-0.6 2,-0.2 -0.858 4.0-178.1-108.1 140.2 -4.8 12.1 -3.5 34 34 A L E -E 21 0B 78 -2,-0.4 3,-0.3 -13,-0.2 38,-0.3 -0.679 42.1 -99.1-125.3 179.7 -2.4 9.1 -3.2 35 35 A S S S+ 0 0 16 -15,-0.6 37,-0.5 1,-0.2 -33,-0.1 0.918 122.3 53.2 -66.9 -44.9 -2.0 5.9 -1.2 36 36 A N S S+ 0 0 153 -35,-0.1 -1,-0.2 35,-0.1 35,-0.1 0.686 88.6 116.7 -64.2 -17.0 0.5 7.5 1.2 37 37 A H - 0 0 79 -3,-0.3 34,-0.4 1,-0.1 35,-0.3 0.010 68.6-112.6 -48.4 159.3 -2.1 10.2 1.7 38 38 A A - 0 0 59 32,-0.1 2,-0.9 33,-0.1 31,-0.2 -0.529 37.1 -82.4 -96.4 164.8 -3.6 10.6 5.2 39 39 A P S S+ 0 0 98 0, 0.0 2,-0.3 0, 0.0 31,-0.3 -0.532 70.9 141.9 -69.8 102.6 -7.2 10.0 6.4 40 40 A L E -C 69 0A 110 29,-2.5 29,-1.7 -2,-0.9 2,-0.3 -0.989 42.8-130.3-144.1 151.6 -9.1 13.1 5.5 41 41 A L E +C 68 0A 124 -2,-0.3 2,-0.3 27,-0.2 27,-0.2 -0.780 29.2 167.9-104.1 147.3 -12.6 14.0 4.2 42 42 A T E -C 67 0A 49 25,-3.0 25,-1.5 -2,-0.3 2,-0.3 -0.905 25.9-121.6-147.3 173.9 -13.4 16.3 1.2 43 43 A A E -C 66 0A 30 -2,-0.3 -16,-0.7 23,-0.2 2,-0.3 -0.933 20.9-173.2-125.3 148.2 -16.2 17.4 -1.1 44 44 A L E -C 65 0A 25 21,-1.9 21,-1.8 -2,-0.3 2,-0.2 -0.976 11.8-140.9-139.4 152.2 -16.6 17.3 -4.9 45 45 A E - 0 0 104 -20,-0.4 17,-0.1 -2,-0.3 76,-0.0 -0.469 47.5 -57.2-104.4 177.8 -19.0 18.5 -7.5 46 46 A T S S+ 0 0 20 -2,-0.2 17,-0.3 15,-0.1 2,-0.2 -0.189 85.4 90.2 -54.4 143.5 -20.5 17.1 -10.7 47 47 A G E S- G 0 62B 2 15,-1.2 15,-1.6 -3,-0.1 2,-0.2 -0.730 71.8 -73.4 146.6 164.6 -17.8 16.1 -13.2 48 48 A V E - G 0 61B 21 13,-0.2 2,-0.3 -2,-0.2 13,-0.2 -0.518 39.2-153.8 -87.7 156.5 -15.6 13.3 -14.5 49 49 A M E - G 0 60B 16 11,-1.8 11,-1.8 -2,-0.2 2,-0.4 -0.939 7.4-135.0-130.9 153.2 -12.4 12.1 -12.7 50 50 A R E -FG 23 59B 131 -27,-1.9 -27,-1.7 -2,-0.3 2,-0.4 -0.901 15.7-163.4-111.4 136.0 -9.2 10.4 -13.9 51 51 A V E -FG 22 58B 17 7,-1.9 7,-1.6 -2,-0.4 2,-0.6 -0.960 4.2-160.0-121.3 134.9 -7.6 7.5 -12.1 52 52 A R E +FG 21 57B 116 -31,-2.4 -32,-3.0 -2,-0.4 -31,-1.6 -0.935 14.7 172.8-117.4 111.5 -4.0 6.2 -12.6 53 53 A Q S S- 0 0 84 3,-0.6 -1,-0.1 -2,-0.6 -34,-0.1 0.791 73.7 -63.9 -83.6 -30.9 -3.3 2.7 -11.5 54 54 A D S S- 0 0 113 2,-0.8 -2,-0.0 -33,-0.1 3,-0.0 -0.159 114.5 -3.3-177.8 -74.5 0.3 2.7 -12.9 55 55 A R S S+ 0 0 215 2,-0.0 2,-0.1 0, 0.0 -3,-0.0 0.630 122.0 58.6-112.9 -26.0 0.8 3.2 -16.7 56 56 A E - 0 0 127 2,-0.0 -2,-0.8 0, 0.0 -3,-0.6 -0.378 66.5-152.3 -98.2 179.1 -2.9 3.2 -17.8 57 57 A W E -G 52 0B 163 -5,-0.2 2,-0.3 -2,-0.1 -5,-0.2 -0.993 2.4-154.0-152.9 153.0 -5.8 5.4 -16.9 58 58 A V E -G 51 0B 67 -7,-1.6 -7,-1.9 -2,-0.3 2,-0.5 -0.958 8.9-143.1-131.7 149.7 -9.6 5.3 -16.7 59 59 A A E +G 50 0B 50 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.950 18.1 177.9-116.5 127.3 -12.3 7.9 -16.9 60 60 A I E -G 49 0B 20 -11,-1.8 -11,-1.8 -2,-0.5 2,-0.7 -0.978 23.1-139.5-132.4 121.6 -15.5 7.8 -14.8 61 61 A A E +GH 48 82B 5 21,-1.1 21,-1.0 -2,-0.4 2,-0.5 -0.685 27.6 176.3 -81.7 113.4 -18.3 10.4 -14.8 62 62 A L E -GH 47 81B 6 -15,-1.6 -15,-1.2 -2,-0.7 19,-0.2 -0.971 16.9-146.8-123.7 121.0 -19.5 11.0 -11.3 63 63 A M - 0 0 81 17,-1.5 19,-0.1 -2,-0.5 -19,-0.0 0.136 56.7 -34.8 -67.5-169.8 -22.1 13.7 -10.5 64 64 A G S S+ 0 0 26 14,-0.1 15,-1.9 -18,-0.1 16,-0.4 -0.198 85.5 124.4 -52.0 135.9 -22.2 15.7 -7.3 65 65 A G E -CD 44 78A 13 -21,-1.8 -21,-1.9 13,-0.2 2,-0.4 -0.976 54.9 -86.8-174.4-178.0 -21.0 13.7 -4.3 66 66 A F E -CD 43 77A 113 11,-1.2 11,-2.2 -2,-0.3 2,-0.4 -0.885 29.8-161.2-113.6 143.1 -18.6 13.5 -1.3 67 67 A A E +CD 42 76A 8 -25,-1.5 -25,-3.0 -2,-0.4 2,-0.3 -0.966 10.2 175.4-125.4 139.7 -15.1 12.0 -1.3 68 68 A E E -CD 41 75A 50 7,-0.9 7,-2.9 -2,-0.4 2,-0.3 -0.937 8.8-164.8-147.1 119.8 -13.0 10.7 1.6 69 69 A V E +C 40 0A 2 -29,-1.7 -29,-2.5 -2,-0.3 5,-0.2 -0.816 18.8 152.5-106.2 144.7 -9.6 9.1 1.5 70 70 A E - 0 0 96 3,-0.5 -32,-0.1 -2,-0.3 3,-0.1 -0.767 68.8 -11.4-172.2 122.2 -8.0 7.2 4.4 71 71 A N S S- 0 0 135 -34,-0.4 -35,-0.1 1,-0.3 -36,-0.1 0.920 132.6 -46.2 50.2 50.2 -5.5 4.3 4.5 72 72 A N S S+ 0 0 33 -37,-0.5 2,-0.4 -35,-0.3 -1,-0.3 0.859 115.0 124.5 62.3 36.3 -5.9 3.7 0.8 73 73 A E - 0 0 61 -38,-0.1 2,-0.7 -70,-0.1 -3,-0.5 -0.851 37.0-177.6-132.2 97.4 -9.6 3.9 1.2 74 74 A V E -b 5 0A 8 -70,-1.9 -68,-2.4 -2,-0.4 2,-0.7 -0.848 6.9-165.5 -99.4 114.2 -11.4 6.4 -1.0 75 75 A T E -bD 6 68A 36 -7,-2.9 -7,-0.9 -2,-0.7 2,-0.8 -0.868 3.7-172.5-103.2 110.0 -15.2 6.6 -0.4 76 76 A I E -bD 7 67A 12 -70,-1.8 -68,-3.0 -2,-0.7 2,-1.6 -0.814 2.3-173.2-104.9 94.9 -17.1 8.4 -3.2 77 77 A L E +bD 8 66A 71 -11,-2.2 -11,-1.2 -2,-0.8 2,-0.2 -0.581 23.1 162.9 -87.7 76.7 -20.7 8.8 -2.1 78 78 A V E - D 0 65A 4 -2,-1.6 -13,-0.2 -70,-1.5 -14,-0.1 -0.633 44.4-136.3 -96.0 154.7 -22.1 10.3 -5.3 79 79 A N S S+ 0 0 134 -15,-1.9 2,-0.4 -2,-0.2 -14,-0.1 0.758 91.7 29.3 -78.5 -26.1 -25.8 10.5 -6.3 80 80 A G - 0 0 24 -16,-0.4 -17,-1.5 -71,-0.0 2,-0.3 -0.999 66.6-165.6-139.9 140.0 -25.0 9.3 -9.8 81 81 A A E -H 62 0B 47 -2,-0.4 2,-0.3 -19,-0.2 -19,-0.2 -0.918 4.4-176.5-124.3 150.2 -22.4 7.2 -11.4 82 82 A E E -H 61 0B 48 -21,-1.0 -21,-1.1 -2,-0.3 4,-0.0 -0.974 22.0-159.3-149.0 130.6 -21.3 6.6 -15.0 83 83 A R - 0 0 119 -2,-0.3 -24,-0.1 -23,-0.2 -23,-0.1 0.049 68.6 -87.9 -94.9 25.0 -18.7 4.3 -16.6 84 84 A G S > S+ 0 0 20 -23,-0.1 3,-0.6 1,-0.1 -24,-0.1 0.259 112.1 102.5 88.9 -13.1 -18.5 6.5 -19.7 85 85 A D T 3 + 0 0 152 1,-0.2 -1,-0.1 3,-0.0 44,-0.0 -0.158 55.2 88.0 -94.7 38.9 -21.4 4.7 -21.3 86 86 A T T 3 + 0 0 29 43,-0.2 2,-0.4 -2,-0.0 -1,-0.2 0.187 51.0 135.7-118.6 12.9 -23.8 7.5 -20.5 87 87 A I < + 0 0 61 -3,-0.6 2,-0.3 45,-0.1 43,-0.1 -0.496 22.6 164.5 -67.8 121.3 -23.2 9.5 -23.6 88 88 A D >> - 0 0 86 -2,-0.4 4,-1.5 1,-0.1 3,-0.9 -0.884 30.0-160.9-145.2 109.4 -26.6 10.7 -25.0 89 89 A L H >> S+ 0 0 120 -2,-0.3 4,-1.8 1,-0.3 3,-0.6 0.925 99.2 52.1 -51.9 -50.1 -26.9 13.4 -27.6 90 90 A E H 3> S+ 0 0 151 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.778 105.3 58.6 -58.6 -26.4 -30.6 13.9 -26.7 91 91 A K H <> S+ 0 0 89 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.877 103.7 50.0 -71.2 -38.7 -29.4 14.2 -23.1 92 92 A A H X S+ 0 0 5 -4,-2.6 4,-1.5 1,-0.3 3,-0.6 0.885 111.7 38.9 -50.3 -43.3 -36.9 30.0 -11.1 107 107 A E H 3< S+ 0 0 132 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.717 109.8 61.7 -80.3 -22.5 -36.8 33.8 -11.2 108 108 A Q H 3< S- 0 0 151 -4,-1.0 -1,-0.2 -5,-0.3 -2,-0.2 0.434 141.2 -66.5 -82.6 0.6 -40.1 34.0 -12.9 109 109 A G H << S+ 0 0 56 -3,-0.6 -3,-0.2 -4,-0.6 2,-0.2 0.740 101.7 103.9 115.7 47.1 -41.7 32.4 -9.9 110 110 A E S < S- 0 0 107 -4,-1.5 2,-1.5 -5,-0.4 -1,-0.2 -0.660 83.3 -40.8-137.1-167.7 -40.4 28.8 -9.6 111 111 A S + 0 0 114 -2,-0.2 3,-0.2 1,-0.2 -5,-0.2 -0.448 58.7 163.8 -65.7 90.5 -37.9 26.7 -7.7 112 112 A K + 0 0 139 -2,-1.5 3,-0.3 -6,-0.3 -1,-0.2 -0.174 22.0 134.7-102.4 38.8 -35.0 29.2 -7.5 113 113 A Q S S+ 0 0 186 1,-0.3 2,-0.5 2,-0.1 -1,-0.2 0.964 80.7 4.2 -49.2 -66.2 -33.2 27.3 -4.7 114 114 A A > - 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