==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 28-JUL-08 2K6Y . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN TTHA1943; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR L.A.ABRIATA,L.BANCI,I.BERTINI,S.CIOFI-BAFFONI,P.GKAZONIS, . 120 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7307.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 73 60.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 37.5 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 . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 14 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 1 2 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 G 0 0 67 0, 0.0 3,-0.1 0, 0.0 75,-0.1 0.000 360.0 360.0 360.0 58.7 13.4 -6.0 -2.4 2 2 A S - 0 0 66 1,-0.7 2,-0.2 3,-0.0 0, 0.0 0.131 360.0 -3.2-169.4 -43.6 14.4 -8.1 -5.5 3 3 A F S S- 0 0 151 20,-0.0 2,-1.2 18,-0.0 -1,-0.7 -0.588 109.4 -43.2-137.6-165.1 11.1 -8.8 -7.3 4 4 A T S S+ 0 0 104 -2,-0.2 2,-0.4 -3,-0.1 18,-0.1 -0.630 73.5 164.0 -73.4 96.0 7.4 -8.1 -6.8 5 5 A E + 0 0 78 -2,-1.2 16,-2.1 110,-0.0 2,-0.3 -0.983 4.0 138.3-122.8 119.9 7.2 -8.9 -3.0 6 6 A G E -A 20 0A 15 -2,-0.4 2,-0.3 14,-0.3 14,-0.3 -0.928 22.8-168.2-151.6 176.7 4.3 -7.9 -0.8 7 7 A W E -A 19 0A 81 12,-1.6 12,-2.6 -2,-0.3 2,-0.5 -0.976 21.5-122.9-161.1 161.9 1.9 -9.0 2.1 8 8 A V E -Ab 18 117A 1 108,-2.8 110,-2.8 -2,-0.3 2,-0.6 -0.983 18.4-148.4-117.1 126.4 -1.3 -8.0 4.0 9 9 A R E -Ab 17 118A 54 8,-2.1 8,-1.9 -2,-0.5 110,-0.2 -0.858 25.0-148.9 -94.0 117.8 -1.2 -7.6 7.8 10 10 A F - 0 0 50 108,-2.9 110,-0.1 -2,-0.6 -1,-0.1 0.134 18.7-179.6 -74.6-171.5 -4.6 -8.6 9.3 11 11 A S - 0 0 17 5,-0.1 82,-0.3 108,-0.1 5,-0.0 -0.893 43.4-109.2-173.1 167.6 -6.6 -7.5 12.3 12 12 A P S S- 0 0 134 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 0.525 84.7-123.8 -73.0 -6.9 -10.0 -8.3 14.0 13 13 A G S S+ 0 0 30 2,-0.5 74,-0.0 75,-0.0 3,-0.0 -0.373 97.1 125.4 108.4 169.2 -11.2 -4.8 12.8 14 14 A P S S+ 0 0 84 0, 0.0 74,-2.1 0, 0.0 75,-0.4 -0.995 106.6 15.9 -79.4 -7.7 -12.1 -2.1 12.2 15 15 A N E + C 0 87A 71 72,-0.2 -2,-0.5 73,-0.1 72,-0.2 -0.743 55.3 161.8-128.6 167.5 -8.8 -1.4 10.4 16 16 A A E - C 0 86A 0 70,-1.8 70,-2.4 -2,-0.2 2,-0.3 -0.881 24.9-113.7-165.9-173.1 -5.6 -3.1 8.9 17 17 A A E -AC 9 85A 3 -8,-1.9 -8,-2.1 -2,-0.2 2,-0.3 -0.983 12.6-164.9-143.2 154.4 -2.6 -2.6 6.5 18 18 A A E -AC 8 84A 1 66,-1.7 66,-2.6 -2,-0.3 2,-0.3 -0.997 11.2-178.5-143.9 146.9 -1.1 -3.8 3.1 19 19 A Y E +A 7 0A 29 -12,-2.6 -12,-1.6 -2,-0.3 2,-0.3 -0.932 3.9 167.2-140.8 157.4 2.4 -3.5 1.5 20 20 A L E -A 6 0A 13 -2,-0.3 57,-3.1 57,-0.3 2,-0.4 -0.972 38.0-114.6-166.4 158.4 4.5 -4.3 -1.6 21 21 A T E -F 76 0B 11 -16,-2.1 2,-0.3 -2,-0.3 55,-0.2 -0.815 46.1-170.9 -84.5 133.0 7.6 -3.9 -3.8 22 22 A L E +F 75 0B 11 53,-2.7 53,-3.0 -2,-0.4 2,-0.3 -0.988 10.3 173.7-145.7 141.3 6.4 -2.3 -7.1 23 23 A E E -F 74 0B 59 -2,-0.3 51,-0.3 51,-0.2 46,-0.0 -0.969 24.9-130.2-159.3 153.1 8.0 -1.6 -10.5 24 24 A N + 0 0 8 49,-2.7 48,-0.7 -2,-0.3 6,-0.0 -0.950 13.0 179.6-120.9 112.4 7.5 -0.4 -14.0 25 25 A P + 0 0 114 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 0.553 59.6 99.5 -83.2 -9.1 8.7 -2.2 -17.2 26 26 A G S S- 0 0 25 2,-0.2 46,-1.0 44,-0.1 47,-0.2 -0.184 78.4-125.9 -80.0 168.9 7.3 0.5 -19.5 27 27 A D S S+ 0 0 136 44,-0.2 -1,-0.1 45,-0.1 -3,-0.0 0.457 96.7 58.3 -94.6 -4.8 8.9 3.5 -21.3 28 28 A L S S- 0 0 120 42,-0.1 44,-0.2 1,-0.0 -2,-0.2 -0.833 98.0 -93.2-117.7 160.3 6.4 5.9 -19.8 29 29 A P - 0 0 67 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.323 28.0-133.2 -77.9 156.4 5.9 6.5 -16.0 30 30 A L E -G 69 0C 26 39,-2.6 39,-3.0 -4,-0.1 2,-0.4 -0.832 10.7-161.9 -98.9 150.4 3.3 4.8 -13.6 31 31 A R E -G 68 0C 108 -2,-0.3 75,-2.6 37,-0.3 2,-0.6 -0.970 8.3-154.4-133.6 109.8 1.2 6.7 -11.1 32 32 A L E +GH 67 105C 2 35,-1.4 35,-2.9 -2,-0.4 73,-0.3 -0.804 17.9 173.0 -91.2 112.8 -0.3 4.4 -8.3 33 33 A V E - 0 0 64 71,-2.5 12,-0.3 -2,-0.6 2,-0.3 0.542 58.0 -49.9-106.6 -11.0 -3.5 6.1 -7.0 34 34 A G E - H 0 104C 6 70,-1.4 70,-1.6 10,-0.1 2,-0.2 -0.975 50.4-110.3 176.6-160.6 -4.8 3.3 -4.6 35 35 A A - 0 0 3 68,-0.3 2,-0.3 -2,-0.3 68,-0.2 -0.886 15.0-142.8-147.7-178.3 -5.7 -0.4 -4.4 36 36 A R + 0 0 163 66,-0.3 66,-2.9 -2,-0.2 5,-0.1 -0.981 22.4 171.2-155.4 135.9 -8.9 -2.6 -4.0 37 37 A T - 0 0 15 3,-0.4 3,-0.4 -2,-0.3 64,-0.2 -0.972 41.6-129.3-152.6 152.8 -9.4 -5.8 -2.0 38 38 A P S S+ 0 0 58 0, 0.0 63,-0.1 0, 0.0 -1,-0.0 0.540 105.4 62.7 -82.4 -11.4 -12.0 -8.3 -0.7 39 39 A V S S+ 0 0 0 61,-0.3 52,-0.7 51,-0.1 2,-0.3 0.506 109.0 33.6 -94.0 -4.0 -10.8 -8.0 2.9 40 40 A A - 0 0 3 -3,-0.4 -3,-0.4 49,-0.3 49,-0.2 -0.967 53.1-156.8-147.3 158.7 -11.6 -4.3 3.3 41 41 A E S S+ 0 0 118 47,-1.4 2,-0.4 46,-1.3 47,-0.2 0.849 88.8 44.1 -98.7 -60.9 -14.2 -1.7 2.2 42 42 A R E S+D 87 0A 150 45,-2.4 45,-2.8 46,-0.1 2,-0.3 -0.736 70.2 171.4 -84.4 134.4 -12.2 1.6 2.6 43 43 A V E +D 86 0A 36 -2,-0.4 2,-0.3 43,-0.2 43,-0.2 -0.985 2.8 174.7-148.0 136.8 -8.6 1.4 1.3 44 44 A E E -D 85 0A 49 41,-2.1 41,-2.5 -2,-0.3 2,-0.5 -0.996 32.2-119.6-148.6 136.0 -6.2 4.4 0.9 45 45 A L E +D 84 0A 6 -12,-0.3 19,-2.6 -2,-0.3 2,-0.3 -0.716 41.1 179.1 -81.2 125.5 -2.5 4.9 0.0 46 46 A H E -DE 83 63A 21 37,-3.0 37,-2.4 -2,-0.5 2,-0.2 -0.824 19.4-143.6-119.1 157.5 -0.6 6.6 2.9 47 47 A E E - E 0 62A 27 15,-2.8 15,-1.5 -2,-0.3 2,-0.4 -0.625 11.9-136.3 -99.6 173.8 3.0 7.7 3.7 48 48 A T E - E 0 61A 31 13,-0.2 13,-0.2 -2,-0.2 2,-0.2 -0.986 34.6-171.2-128.0 130.3 5.0 7.6 6.9 49 49 A F E - E 0 60A 63 11,-2.5 11,-1.0 -2,-0.4 2,-0.4 -0.688 31.5-138.4-111.9 163.9 6.9 10.9 7.6 50 50 A M E + E 0 59A 129 -2,-0.2 2,-0.3 9,-0.2 9,-0.2 -0.959 37.5 168.6-108.5 143.9 9.5 12.6 9.7 51 51 A R E - E 0 58A 163 7,-2.4 7,-3.1 -2,-0.4 2,-0.2 -0.967 29.9-124.0-158.1 136.3 8.4 16.2 10.5 52 52 A E E + E 0 57A 86 -2,-0.3 5,-0.2 5,-0.2 4,-0.1 -0.554 35.6 152.5 -88.4 148.3 9.5 18.9 12.9 53 53 A V S S+ 0 0 107 3,-1.5 2,-1.1 -2,-0.2 -1,-0.1 0.351 81.6 21.7-131.5 -87.1 7.3 20.6 15.6 54 54 A E S S- 0 0 139 2,-0.2 3,-0.1 1,-0.1 -2,-0.0 -0.229 126.6 -83.1 -75.4 34.7 9.1 21.9 18.7 55 55 A G S S+ 0 0 64 -2,-1.1 2,-0.2 1,-0.2 -1,-0.1 0.128 111.8 111.8 70.5 -19.8 12.2 21.9 16.5 56 56 A K S S- 0 0 121 1,-0.1 -3,-1.5 -4,-0.1 2,-0.5 -0.515 79.9-104.7 -83.0 146.5 12.3 18.2 17.5 57 57 A K E -E 52 0A 107 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.626 38.1-175.3 -79.5 121.1 11.6 15.4 14.9 58 58 A V E -E 51 0A 73 -7,-3.1 -7,-2.4 -2,-0.5 2,-0.3 -0.848 7.0-156.3-112.6 148.7 8.1 13.7 15.2 59 59 A M E +E 50 0A 135 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.980 26.5 123.5-134.6 142.1 7.0 10.7 13.1 60 60 A G E -E 49 0A 20 -11,-1.0 -11,-2.5 -2,-0.3 2,-0.2 -0.960 46.5 -84.9-174.8-177.6 3.6 9.3 12.0 61 61 A M E +E 48 0A 109 -2,-0.3 -13,-0.2 -13,-0.2 21,-0.1 -0.694 35.5 160.4-107.5 159.1 1.3 8.2 9.0 62 62 A R E -E 47 0A 105 -15,-1.5 -15,-2.8 -2,-0.2 2,-0.1 -0.922 41.3 -90.2-165.9 155.4 -1.2 10.1 6.7 63 63 A P E -E 46 0A 63 0, 0.0 -17,-0.3 0, 0.0 21,-0.1 -0.368 35.1-155.5 -67.4 149.4 -2.9 9.6 3.3 64 64 A V - 0 0 25 -19,-2.6 -19,-0.2 -2,-0.1 3,-0.1 -0.815 26.7-120.3-114.3 158.6 -1.2 10.8 0.1 65 65 A P S S- 0 0 100 0, 0.0 2,-0.3 0, 0.0 -19,-0.1 0.700 85.2 -44.4 -69.6 -19.4 -2.9 11.8 -3.2 66 66 A F - 0 0 85 -21,-0.1 2,-0.3 2,-0.0 -33,-0.2 -0.944 47.3-119.8 177.5 171.5 -0.8 9.0 -5.0 67 67 A L E -G 32 0C 24 -35,-2.9 -35,-1.4 -2,-0.3 2,-0.3 -0.835 30.3-163.9-116.6 171.7 2.6 7.3 -5.4 68 68 A E E -G 31 0C 76 -37,-0.3 -37,-0.3 -2,-0.3 -2,-0.0 -0.973 11.8-154.9-155.2 164.9 4.4 7.1 -8.8 69 69 A V E -G 30 0C 1 -39,-3.0 -39,-2.6 -2,-0.3 3,-0.1 -0.992 20.7-125.5-144.4 128.7 7.3 5.3 -10.5 70 70 A P > - 0 0 76 0, 0.0 3,-1.7 0, 0.0 -46,-0.3 -0.241 49.3 -74.4 -68.8 164.7 9.5 6.4 -13.5 71 71 A P T 3 S+ 0 0 52 0, 0.0 -44,-0.2 0, 0.0 3,-0.1 -0.356 122.1 7.9 -58.6 138.0 9.9 4.2 -16.6 72 72 A K T 3 S+ 0 0 124 -46,-1.0 -45,-0.1 -48,-0.7 2,-0.0 0.433 113.6 123.8 66.3 0.9 12.1 1.1 -16.0 73 73 A G < - 0 0 18 -3,-1.7 -49,-2.7 -47,-0.2 2,-0.3 -0.135 46.7-152.9 -89.3-179.1 12.0 2.1 -12.3 74 74 A R E +F 23 0B 113 -51,-0.3 2,-0.3 -3,-0.1 -51,-0.2 -0.984 10.1 179.2-155.7 147.8 11.0 0.6 -8.9 75 75 A V E -F 22 0B 32 -53,-3.0 -53,-2.7 -2,-0.3 2,-0.4 -0.910 18.6-137.0-140.0 167.3 9.8 1.6 -5.4 76 76 A E E -F 21 0B 82 -2,-0.3 2,-2.2 -55,-0.2 6,-0.4 -0.986 14.1-136.4-133.0 129.4 8.8 -0.2 -2.2 77 77 A L - 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