==== 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 2K6Z . 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.A.GKAZONIS, . 120 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7133.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 65.8 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 . 52 43.3 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 1.7 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 . 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 . 14 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 4.2 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 . 1 0 2 3 0 1 0 2 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 1 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 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 81 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -98.7 16.7 7.6 8.9 2 2 A S + 0 0 94 2,-0.0 2,-0.3 21,-0.0 72,-0.0 -0.498 360.0 179.5 -49.7 147.3 15.0 7.2 5.7 3 3 A F - 0 0 120 -2,-0.2 2,-1.8 2,-0.1 18,-0.0 -0.908 43.8-128.6-161.3 138.9 13.4 3.7 6.1 4 4 A T + 0 0 72 -2,-0.3 2,-0.4 16,-0.1 110,-0.2 -0.421 53.3 170.9 -80.1 57.1 11.2 1.4 4.0 5 5 A E + 0 0 86 -2,-1.8 16,-1.6 15,-0.1 2,-0.3 -0.637 10.3 116.3 -85.6 123.8 8.9 1.1 7.0 6 6 A G E -A 20 0A 15 -2,-0.4 2,-0.3 14,-0.3 14,-0.3 -0.973 42.9-134.4-159.7 179.3 5.4 -0.6 6.7 7 7 A W E -A 19 0A 46 12,-2.2 12,-2.5 -2,-0.3 110,-0.2 -0.983 15.6-133.8-146.3 146.3 3.0 -3.4 7.6 8 8 A V E -Ab 18 117A 0 108,-2.6 110,-2.1 -2,-0.3 10,-0.3 -0.649 40.4-102.3 -86.6 149.8 0.7 -5.8 5.7 9 9 A R E - b 0 118A 99 8,-3.1 2,-0.2 -2,-0.2 110,-0.2 -0.517 29.1-109.1 -84.5 150.0 -2.9 -6.2 7.1 10 10 A F + 0 0 103 108,-0.8 84,-0.2 -2,-0.2 -1,-0.1 -0.488 55.6 127.2 -76.4 134.1 -4.3 -9.1 9.1 11 11 A S B -G 93 0B 18 82,-2.0 82,-2.6 -2,-0.2 5,-0.0 -0.730 52.5-142.7 175.6 135.6 -6.8 -11.5 7.5 12 12 A P S S- 0 0 103 0, 0.0 4,-0.1 0, 0.0 82,-0.1 0.756 75.5-107.1 -71.6 -24.9 -7.4 -15.3 6.8 13 13 A G S S+ 0 0 28 2,-0.4 74,-0.0 80,-0.1 77,-0.0 -0.737 96.6 125.9 139.2 171.6 -8.9 -14.3 3.4 14 14 A P S S+ 0 0 100 0, 0.0 74,-2.5 0, 0.0 75,-1.1 -0.996 108.2 4.0 -79.6 -8.2 -10.3 -13.6 0.9 15 15 A N E + C 0 87A 67 72,-0.2 -2,-0.4 73,-0.2 72,-0.2 -0.941 51.8 172.9-144.2 157.8 -8.6 -10.2 1.1 16 16 A A E - C 0 86A 5 70,-2.5 70,-1.9 -2,-0.3 2,-0.3 -0.699 20.5-133.5-143.0-175.7 -6.1 -8.0 3.0 17 17 A A E - C 0 85A 6 68,-0.3 -8,-3.1 -2,-0.2 2,-0.3 -0.863 10.7-141.0-138.3 176.8 -4.4 -4.5 2.6 18 18 A A E -AC 8 84A 0 66,-2.0 66,-1.9 -10,-0.3 2,-0.4 -0.968 8.4-168.9-150.8 138.2 -0.9 -3.0 2.9 19 19 A Y E +A 7 0A 20 -12,-2.5 -12,-2.2 -2,-0.3 2,-0.3 -0.954 24.2 154.0-119.0 137.5 0.7 0.2 4.3 20 20 A L E -AD 6 77A 2 57,-0.5 57,-3.1 -2,-0.4 2,-0.5 -0.973 43.6-104.6-168.3 148.4 4.4 1.1 3.6 21 21 A T E - D 0 76A 11 -16,-1.6 2,-0.5 -2,-0.3 55,-0.2 -0.710 28.5-155.1 -89.5 122.2 6.8 4.0 3.3 22 22 A L E - D 0 75A 5 53,-2.0 53,-2.6 -2,-0.5 2,-0.3 -0.869 15.2-173.1-102.6 120.3 7.8 4.9 -0.3 23 23 A E E - D 0 74A 33 -2,-0.5 51,-0.2 51,-0.2 46,-0.1 -0.903 15.4-151.2-122.1 141.7 11.2 6.7 -0.6 24 24 A N + 0 0 6 49,-2.8 48,-0.7 -2,-0.3 -2,-0.0 -0.935 14.7 176.0-117.1 108.9 13.0 8.3 -3.6 25 25 A P + 0 0 107 0, 0.0 -1,-0.1 0, 0.0 49,-0.0 0.576 57.8 92.6 -82.8 -11.0 16.9 8.4 -3.6 26 26 A G S S- 0 0 22 2,-0.2 46,-1.1 47,-0.1 47,-0.1 -0.150 80.2-124.4 -85.3 175.9 17.0 10.0 -7.1 27 27 A D S S+ 0 0 133 44,-0.2 -1,-0.1 45,-0.1 -3,-0.0 0.363 97.0 59.9 -99.4 -3.8 17.1 13.5 -8.5 28 28 A L S S- 0 0 101 42,-0.1 44,-0.2 1,-0.0 -2,-0.2 -0.843 98.7 -89.1-122.4 157.3 14.0 12.8 -10.6 29 29 A P - 0 0 67 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.397 32.8-146.2 -75.0 145.8 10.5 11.9 -9.4 30 30 A L E -H 69 0C 23 39,-2.5 39,-3.2 -2,-0.1 2,-0.4 -0.799 8.7-159.5-105.8 157.1 9.3 8.2 -8.8 31 31 A R E -H 68 0C 94 -2,-0.3 75,-2.9 37,-0.2 2,-0.7 -0.939 9.2-150.9-148.0 110.7 5.8 7.0 -9.4 32 32 A L E +HI 67 105C 1 35,-1.6 35,-2.7 -2,-0.4 73,-0.2 -0.761 24.4 164.6 -91.0 107.4 4.2 3.9 -7.9 33 33 A V E - 0 0 64 71,-2.7 2,-0.3 -2,-0.7 12,-0.2 0.664 61.9 -16.6-103.7 -24.6 1.5 2.7 -10.3 34 34 A G E - I 0 104C 16 70,-1.2 70,-2.2 10,-0.1 2,-0.2 -0.942 57.7-140.2-159.3-177.6 0.9 -0.9 -9.1 35 35 A A E - I 0 103C 8 -2,-0.3 2,-0.3 68,-0.2 68,-0.2 -0.833 2.8-157.5-135.1-178.8 2.3 -3.8 -6.9 36 36 A R E + I 0 102C 148 66,-1.5 66,-1.5 -2,-0.2 5,-0.1 -0.903 12.0 176.8-144.3 177.1 2.7 -7.6 -6.8 37 37 A T > - 0 0 15 3,-0.3 3,-0.7 -2,-0.3 64,-0.2 -0.917 38.6-121.8-172.9 152.3 3.3 -10.1 -3.9 38 38 A P T 3 S+ 0 0 81 0, 0.0 63,-0.1 0, 0.0 3,-0.0 0.546 106.7 60.8 -78.4 -7.5 3.6 -13.9 -3.4 39 39 A V T 3 S+ 0 0 11 61,-0.3 51,-1.2 51,-0.1 52,-0.5 0.077 100.2 49.2-113.6 24.3 0.6 -13.9 -0.9 40 40 A A E < -E 89 0A 12 -3,-0.7 -3,-0.3 49,-0.3 49,-0.3 -0.950 63.3-142.0-156.1 143.2 -2.3 -12.6 -3.1 41 41 A E E S+ 0 0 138 47,-0.9 2,-0.3 46,-0.7 47,-0.2 0.780 92.4 13.0 -68.9 -33.2 -3.7 -13.5 -6.7 42 42 A R E -E 87 0A 184 45,-2.5 45,-2.6 -6,-0.0 2,-0.3 -0.946 63.6-159.3-137.9 159.9 -4.4 -9.7 -7.4 43 43 A V E -E 86 0A 35 -2,-0.3 2,-0.3 43,-0.2 43,-0.2 -0.985 6.7-166.5-139.7 143.5 -3.5 -6.4 -5.9 44 44 A E E -E 85 0A 77 41,-2.5 41,-2.9 -2,-0.3 2,-0.5 -0.938 20.9-126.7-123.2 149.8 -5.3 -3.0 -6.3 45 45 A L E +E 84 0A 13 -2,-0.3 19,-2.7 19,-0.3 2,-0.3 -0.890 39.7 175.4-102.3 121.8 -4.1 0.5 -5.4 46 46 A H E -EF 83 63A 14 37,-2.8 37,-2.6 -2,-0.5 2,-0.3 -0.829 28.5-145.1-125.1 159.6 -6.5 2.5 -3.2 47 47 A E E - F 0 62A 22 15,-2.8 15,-1.7 -2,-0.3 2,-0.3 -0.800 12.3-154.4-104.6 159.5 -7.2 5.7 -1.2 48 48 A T E + F 0 61A 31 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.954 26.6 158.6-128.5 148.4 -9.1 6.0 2.1 49 49 A F E - F 0 60A 67 11,-2.4 11,-2.3 -2,-0.3 2,-0.4 -0.921 36.1 -96.0-160.0 175.9 -10.8 9.3 3.0 50 50 A M E + F 0 59A 139 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.905 33.0 177.5-111.7 136.4 -13.5 11.1 5.1 51 51 A R E - F 0 58A 135 7,-2.6 7,-2.8 -2,-0.4 2,-0.4 -0.893 24.9-129.0-120.5 159.9 -17.0 12.2 4.0 52 52 A E E - F 0 57A 89 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.848 21.5-179.6 -90.7 148.0 -20.0 13.9 5.6 53 53 A V E > S- F 0 56A 65 3,-1.9 3,-2.1 -2,-0.4 -2,-0.0 -0.898 77.8 -20.8-138.8 118.8 -23.5 12.2 5.2 54 54 A E T 3 S- 0 0 152 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.745 126.1 -53.6 61.1 25.7 -26.4 14.1 6.9 55 55 A G T 3 S+ 0 0 51 1,-0.3 2,-0.5 0, 0.0 -1,-0.3 0.496 115.4 123.8 82.3 4.7 -23.9 16.1 9.2 56 56 A K E < -F 53 0A 109 -3,-2.1 -3,-1.9 2,-0.0 2,-0.5 -0.877 66.4-126.9-105.5 120.1 -22.6 12.6 10.2 57 57 A K E +F 52 0A 136 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.571 41.8 165.1 -71.5 113.8 -18.8 12.0 9.7 58 58 A V E -F 51 0A 73 -7,-2.8 -7,-2.6 -2,-0.5 -2,-0.0 -0.997 27.3-127.2-140.5 133.7 -18.4 8.7 7.7 59 59 A M E -F 50 0A 149 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.162 19.7-167.4 -79.5 171.9 -15.4 7.3 5.8 60 60 A G E -F 49 0A 20 -11,-2.3 -11,-2.4 2,-0.0 2,-0.3 -0.951 7.5-154.5-149.8 168.2 -14.9 6.1 2.2 61 61 A M E +F 48 0A 100 -2,-0.3 -13,-0.2 -13,-0.2 21,-0.0 -0.984 14.6 171.3-149.1 145.4 -12.4 4.2 -0.0 62 62 A R E -F 47 0A 130 -15,-1.7 -15,-2.8 -2,-0.3 2,-0.2 -0.979 35.0-106.1-148.1 152.9 -11.7 4.2 -3.8 63 63 A P E -F 46 0A 87 0, 0.0 -17,-0.3 0, 0.0 21,-0.0 -0.541 37.1-161.6 -75.2 154.3 -9.1 2.8 -6.3 64 64 A V - 0 0 26 -19,-2.7 -19,-0.3 -2,-0.2 3,-0.1 -0.908 24.9-122.8-139.0 158.0 -6.6 5.3 -7.7 65 65 A P S S- 0 0 102 0, 0.0 2,-0.3 0, 0.0 -19,-0.0 0.766 78.8 -35.1 -82.2 -26.7 -4.3 5.3 -10.8 66 66 A F - 0 0 79 -21,-0.0 2,-0.3 2,-0.0 -33,-0.2 -0.936 48.8-117.6-177.4 164.5 -0.9 5.8 -9.0 67 67 A L E -H 32 0C 19 -35,-2.7 -35,-1.6 -2,-0.3 2,-0.3 -0.876 27.1-142.2-110.9 153.1 1.1 7.5 -6.2 68 68 A E E -H 31 0C 68 -2,-0.3 -37,-0.2 -37,-0.2 -2,-0.0 -0.863 11.7-169.6-111.0 147.0 3.9 10.0 -6.6 69 69 A V E -H 30 0C 2 -39,-3.2 -39,-2.5 -2,-0.3 3,-0.1 -0.953 20.4-137.0-132.6 121.4 7.2 10.5 -4.7 70 70 A P > - 0 0 68 0, 0.0 3,-1.5 0, 0.0 -46,-0.3 -0.267 41.9 -75.6 -70.1 159.1 9.3 13.7 -5.3 71 71 A P T 3 S+ 0 0 54 0, 0.0 -44,-0.2 0, 0.0 3,-0.1 -0.252 116.0 2.5 -60.5 139.0 13.2 13.4 -5.7 72 72 A K T 3 S+ 0 0 125 -46,-1.1 -45,-0.1 -48,-0.7 2,-0.1 0.349 119.4 99.5 65.6 -3.6 15.1 12.9 -2.4 73 73 A G < - 0 0 25 -3,-1.5 -49,-2.8 -47,-0.1 2,-0.3 -0.212 60.7-140.9 -97.1-176.6 11.7 12.8 -0.6 74 74 A R E -D 23 0A 104 -51,-0.2 2,-0.3 -3,-0.1 -51,-0.2 -0.985 10.5-172.9-147.8 152.9 9.3 10.2 0.7 75 75 A V E -D 22 0A 53 -53,-2.6 -53,-2.0 -2,-0.3 2,-0.3 -0.979 20.0-143.7-142.8 134.2 5.5 9.5 0.8 76 76 A E E -D 21 0A 70 -2,-0.3 2,-0.4 -55,-0.2 6,-0.3 -0.793 15.2-131.9-101.7 143.8 3.8 6.6 2.8 77 77 A L E -D 20 0A 4 -57,-3.1 -57,-0.5 -2,-0.3 6,-0.2 -0.792 46.6-176.0 -74.3 130.1 0.9 4.3 2.2 78 78 A K > - 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