==== 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 2K6W . 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) . 7343.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 77 64.2 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 . 48 40.0 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 . 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 . 3 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), 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 . 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 . 2 1 1 2 0 0 2 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 0 104 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 63.5 19.3 -2.9 -8.7 2 2 A S - 0 0 50 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.027 360.0-134.6 52.3 134.9 17.5 -3.3 -6.0 3 3 A F - 0 0 174 -2,-0.2 2,-0.4 0, 0.0 0, 0.0 -0.585 37.0-168.4 52.8 74.2 15.1 -5.3 -5.3 4 4 A T + 0 0 42 -2,-0.3 19,-0.1 17,-0.1 2,-0.1 -0.994 27.0 147.2-124.9 122.5 13.2 -2.4 -3.6 5 5 A E - 0 0 112 -2,-0.4 16,-1.4 15,-0.1 2,-0.3 -0.268 33.4-134.3-141.8-158.1 10.2 -3.9 -1.8 6 6 A G - 0 0 12 14,-0.3 2,-0.4 -2,-0.1 14,-0.2 -0.958 17.1-109.9-162.4-179.2 7.7 -4.0 1.2 7 7 A W - 0 0 54 -2,-0.3 12,-2.5 12,-0.2 2,-0.4 -0.991 13.9-137.8-127.9 140.5 5.9 -6.0 3.9 8 8 A V E -Ab 18 117A 0 108,-2.5 110,-2.6 -2,-0.4 2,-0.6 -0.766 48.8-102.9 -83.1 138.5 2.3 -7.1 4.4 9 9 A R E - b 0 118A 91 8,-3.0 8,-0.3 -2,-0.4 84,-0.2 -0.590 21.2-129.7 -83.9 119.7 1.6 -6.5 8.1 10 10 A F + 0 0 93 108,-2.6 84,-0.2 -2,-0.6 -1,-0.1 -0.350 49.4 142.1 -50.0 129.1 1.6 -9.3 10.7 11 11 A S B -F 93 0B 19 82,-1.6 82,-1.8 2,-0.1 2,-0.8 -0.612 46.0-157.9 179.2 111.3 -1.7 -9.0 12.7 12 12 A P + 0 0 101 0, 0.0 4,-0.1 0, 0.0 -2,-0.1 -0.370 67.7 115.2 -84.4 48.7 -4.1 -11.6 14.1 13 13 A G S S- 0 0 33 -2,-0.8 76,-0.2 2,-0.4 -2,-0.1 -0.372 90.5 -97.4-102.7-174.7 -6.7 -8.7 14.1 14 14 A P S S+ 0 0 106 0, 0.0 74,-2.0 0, 0.0 75,-0.6 0.649 111.9 17.4 -72.1 -17.0 -10.0 -7.9 12.3 15 15 A N E + C 0 87A 67 72,-0.2 -2,-0.4 73,-0.2 72,-0.2 -0.928 62.5 172.5-150.3 169.1 -7.7 -5.9 10.0 16 16 A A E - C 0 86A 5 70,-2.1 70,-2.3 -2,-0.3 2,-0.3 -0.712 23.8-114.3-155.9-159.6 -4.0 -5.3 8.9 17 17 A A E - C 0 85A 0 -8,-0.3 -8,-3.0 68,-0.3 2,-0.3 -0.934 5.1-139.8-146.1 166.1 -2.0 -3.4 6.3 18 18 A A E -AC 8 84A 0 66,-1.9 66,-2.3 -2,-0.3 2,-0.3 -0.988 18.6-176.7-134.7 133.6 0.2 -3.7 3.2 19 19 A Y + 0 0 23 -12,-2.5 2,-0.3 -2,-0.3 -12,-0.2 -0.917 13.6 149.1-121.0 148.1 3.4 -1.5 2.5 20 20 A L E -G 77 0C 8 57,-0.9 57,-3.1 -2,-0.3 -14,-0.3 -0.948 44.4-110.4-169.8 154.7 5.7 -1.5 -0.5 21 21 A T E -G 76 0C 20 -16,-1.4 2,-0.3 55,-0.3 55,-0.2 -0.656 35.2-171.1 -74.4 143.6 8.0 0.4 -2.9 22 22 A L E +G 75 0C 21 53,-2.3 53,-2.8 -2,-0.3 2,-0.3 -0.983 5.8 177.9-142.5 130.6 6.6 0.8 -6.4 23 23 A E E -G 74 0C 72 -2,-0.3 51,-0.3 51,-0.2 50,-0.0 -0.987 23.6-131.1-142.2 142.9 8.6 2.1 -9.4 24 24 A N - 0 0 9 49,-2.4 48,-1.2 46,-0.3 6,-0.0 -0.858 16.7-179.0-102.5 110.8 7.7 2.6 -13.0 25 25 A P + 0 0 112 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.592 58.8 98.6 -80.0 -10.5 10.1 1.3 -15.8 26 26 A G S S- 0 0 25 2,-0.2 46,-0.9 44,-0.1 47,-0.1 -0.152 77.6-127.8 -77.5 169.7 7.8 2.7 -18.6 27 27 A D S S+ 0 0 131 44,-0.2 -1,-0.1 2,-0.1 -3,-0.0 0.455 94.8 60.3 -98.0 -5.0 8.1 5.9 -20.6 28 28 A L S S- 0 0 118 42,-0.1 44,-0.2 1,-0.1 -2,-0.2 -0.824 97.1 -94.1-115.8 159.6 4.4 7.0 -19.7 29 29 A P - 0 0 76 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.292 28.2-135.3 -78.7 159.0 3.2 7.6 -16.1 30 30 A L E -H 69 0D 26 39,-2.5 39,-2.9 -4,-0.1 2,-0.4 -0.819 8.8-163.6-102.4 154.2 1.4 5.1 -13.7 31 31 A R E -H 68 0D 107 -2,-0.3 75,-2.6 37,-0.3 2,-0.7 -0.946 11.6-152.3-138.0 109.3 -1.7 5.9 -11.5 32 32 A L E +HI 67 105D 0 35,-1.3 35,-2.6 -2,-0.4 73,-0.3 -0.786 20.2 171.6 -88.8 106.9 -2.2 3.3 -8.7 33 33 A V E - 0 0 65 71,-2.2 2,-0.3 -2,-0.7 12,-0.3 0.541 61.1 -44.2 -99.4 -11.6 -6.0 3.2 -7.9 34 34 A G E - I 0 104D 9 70,-1.3 70,-2.1 10,-0.1 2,-0.3 -0.974 49.6-123.0 177.9-168.9 -5.9 0.2 -5.5 35 35 A A - 0 0 1 68,-0.3 2,-0.3 -2,-0.3 68,-0.2 -0.899 15.7-149.4-150.2-179.7 -4.5 -3.3 -4.9 36 36 A R + 0 0 153 66,-0.3 66,-3.0 -2,-0.3 5,-0.1 -0.983 14.6 173.3-159.5 137.9 -6.1 -6.8 -4.3 37 37 A T - 0 0 9 3,-0.4 3,-0.4 -2,-0.3 64,-0.2 -0.929 39.3-124.8-143.4 161.1 -5.0 -10.0 -2.3 38 38 A P S S+ 0 0 81 0, 0.0 52,-0.1 0, 0.0 -1,-0.1 0.782 104.0 67.5 -71.9 -29.6 -6.3 -13.4 -1.2 39 39 A V S S+ 0 0 9 61,-0.3 51,-1.1 51,-0.1 52,-0.9 0.462 106.1 28.5 -81.0 0.8 -5.5 -12.7 2.5 40 40 A A E -D 89 0A 4 -3,-0.4 -3,-0.4 49,-0.3 49,-0.2 -0.978 57.7-147.6-156.4 160.5 -8.1 -9.9 3.0 41 41 A E E S+ 0 0 128 46,-1.4 2,-1.2 47,-1.3 47,-0.2 0.868 83.9 41.1 -97.0 -82.1 -11.6 -8.7 1.8 42 42 A R E S-D 87 0A 155 45,-1.3 45,-2.6 -6,-0.1 2,-0.3 -0.609 70.3-175.6 -80.6 101.0 -12.0 -4.8 1.8 43 43 A V E +D 86 0A 40 -2,-1.2 2,-0.3 43,-0.2 43,-0.2 -0.762 4.4 176.7 -84.8 137.2 -8.7 -3.4 0.6 44 44 A E E -D 85 0A 44 41,-1.9 41,-2.8 -2,-0.3 2,-0.6 -0.982 27.7-130.3-141.6 132.5 -8.4 0.5 0.6 45 45 A L E -D 84 0A 7 19,-0.3 19,-2.9 -2,-0.3 2,-0.3 -0.750 34.2-173.7 -83.0 123.2 -5.4 2.8 -0.3 46 46 A H E -DE 83 63A 23 37,-2.9 37,-2.4 -2,-0.6 2,-0.2 -0.810 20.6-137.5-110.4 152.2 -4.8 5.4 2.4 47 47 A E E -DE 82 62A 20 15,-3.0 15,-1.4 -2,-0.3 2,-0.3 -0.552 12.5-152.3 -85.1 166.1 -2.5 8.5 2.9 48 48 A T E + E 0 61A 25 33,-2.2 2,-0.2 13,-0.2 13,-0.2 -0.942 32.4 160.9-147.5 126.3 -0.7 9.1 6.3 49 49 A F E - E 0 60A 53 11,-2.3 11,-1.3 -2,-0.3 2,-0.4 -0.804 44.4-119.8-140.1 164.2 0.0 12.7 7.0 50 50 A M E + E 0 59A 126 -2,-0.2 2,-0.3 9,-0.2 9,-0.2 -0.977 38.3 162.8-110.2 138.5 0.9 15.7 9.1 51 51 A R E - E 0 58A 116 7,-2.5 7,-2.8 -2,-0.4 2,-0.2 -0.970 34.4-115.1-145.3 155.3 -1.7 18.6 9.3 52 52 A E E + E 0 57A 103 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.627 36.5 158.2 -92.3 151.0 -2.2 21.5 11.6 53 53 A V S S+ 0 0 109 3,-2.3 2,-2.0 -2,-0.2 -1,-0.1 0.308 72.8 20.2-130.9 -97.0 -5.4 21.9 13.8 54 54 A E S S- 0 0 143 1,-0.2 3,-0.1 2,-0.1 -2,-0.0 -0.308 128.7 -72.7 -76.5 45.1 -5.5 24.1 17.0 55 55 A G S S+ 0 0 77 -2,-2.0 2,-0.3 1,-0.2 -1,-0.2 0.357 118.8 107.2 69.4 -5.5 -2.4 26.0 15.7 56 56 A K S S- 0 0 117 1,-0.0 -3,-2.3 -5,-0.0 -1,-0.2 -0.725 78.4-108.3-106.1 147.8 -0.7 22.7 16.6 57 57 A K E +E 52 0A 117 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.566 38.1 179.8 -76.3 138.4 0.7 19.8 14.4 58 58 A V E -E 51 0A 69 -7,-2.8 -7,-2.5 -2,-0.2 2,-0.3 -0.948 13.3-148.0-137.3 151.6 -1.3 16.5 14.4 59 59 A M E +E 50 0A 148 -2,-0.3 2,-0.2 -9,-0.2 -9,-0.2 -0.960 29.5 131.5-127.4 145.3 -0.8 13.1 12.5 60 60 A G E -E 49 0A 16 -11,-1.3 -11,-2.3 -2,-0.3 2,-0.2 -0.928 41.7 -97.7-169.0-173.9 -3.3 10.6 11.1 61 61 A M E +E 48 0A 119 -2,-0.2 -13,-0.2 -13,-0.2 21,-0.0 -0.711 28.5 173.1-123.3 168.1 -4.5 8.3 8.2 62 62 A R E -E 47 0A 107 -15,-1.4 -15,-3.0 -2,-0.2 2,-0.1 -0.809 34.2-106.4-175.2 131.9 -7.2 8.6 5.5 63 63 A P E -E 46 0A 60 0, 0.0 -17,-0.3 0, 0.0 21,-0.1 -0.435 36.7-164.5 -67.7 142.5 -8.4 6.7 2.3 64 64 A V - 0 0 32 -19,-2.9 -19,-0.3 -2,-0.1 3,-0.1 -0.818 30.3-121.0-120.4 160.3 -7.5 8.4 -1.1 65 65 A P S S- 0 0 98 0, 0.0 2,-0.3 0, 0.0 -19,-0.1 0.703 84.8 -33.9 -73.6 -20.1 -8.9 7.8 -4.7 66 66 A F - 0 0 86 -21,-0.1 2,-0.3 2,-0.0 -33,-0.2 -0.973 43.7-129.0-176.3 168.1 -5.3 7.0 -5.9 67 67 A L E -H 32 0D 19 -35,-2.6 -35,-1.3 -2,-0.3 2,-0.3 -0.800 30.4-160.6-116.6 173.8 -1.5 7.4 -5.9 68 68 A E E -H 31 0D 77 -37,-0.3 -37,-0.3 -2,-0.3 6,-0.1 -0.971 10.8-156.9-156.6 166.6 0.6 8.0 -9.1 69 69 A V E -H 30 0D 1 -39,-2.9 -39,-2.5 -2,-0.3 3,-0.1 -0.992 17.7-128.6-147.8 132.1 4.1 7.8 -10.5 70 70 A P > - 0 0 80 0, 0.0 3,-1.4 0, 0.0 -46,-0.3 -0.309 51.7 -75.5 -70.4 165.9 6.0 9.5 -13.4 71 71 A P T 3 S+ 0 0 50 0, 0.0 -44,-0.2 0, 0.0 3,-0.1 -0.406 121.3 9.3 -60.4 138.7 7.9 7.4 -16.0 72 72 A K T 3 S+ 0 0 126 -48,-1.2 -45,-0.1 -46,-0.9 2,-0.0 0.365 113.9 115.6 68.5 -2.7 11.2 6.0 -14.6 73 73 A G < - 0 0 20 -3,-1.4 -49,-2.4 -47,-0.1 2,-0.3 -0.071 51.5-143.4 -89.9-172.7 10.1 7.3 -11.1 74 74 A R E -G 23 0C 100 -51,-0.3 2,-0.3 -3,-0.1 -51,-0.2 -0.986 11.8-170.4-152.1 149.1 9.1 5.8 -7.8 75 75 A V E -G 22 0C 29 -53,-2.8 -53,-2.3 -2,-0.3 2,-0.6 -0.977 17.1-145.4-136.0 142.1 6.8 6.1 -4.8 76 76 A E E -G 21 0C 60 -2,-0.3 2,-2.3 -55,-0.2 -55,-0.3 -0.951 11.0-143.9-106.1 123.2 7.0 4.1 -1.5 77 77 A L E +G 20 0C 1 -57,-3.1 -57,-0.9 -2,-0.6 7,-0.2 -0.570 42.2 172.9 -71.3 69.7 3.9 3.2 0.3 78 78 A K >> - 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