==== 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 29-JUL-08 2K70 . 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) . 7243.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 72 60.0 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 . 50 41.7 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 . 10 8.3 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 1 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 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 84 0, 0.0 2,-0.3 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 129.3 11.5 -4.4 13.4 2 2 A S - 0 0 95 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.926 360.0 -2.1 131.7-116.5 9.1 -2.8 15.9 3 3 A F + 0 0 145 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.932 70.0 143.3-132.6 112.8 6.2 -1.7 13.6 4 4 A T + 0 0 52 -2,-0.3 2,-0.2 17,-0.3 -1,-0.1 -0.921 51.9 115.4 82.9 -2.4 7.3 -2.5 10.6 5 5 A E - 0 0 127 17,-0.1 16,-1.3 15,-0.1 2,-0.2 -0.541 41.1-172.4-124.5-179.4 3.5 -3.3 10.2 6 6 A G E -A 20 0A 7 14,-0.3 2,-0.3 108,-0.2 14,-0.3 -0.901 14.1-132.3-156.0-176.9 0.4 -2.3 8.3 7 7 A W E -A 19 0A 68 12,-2.2 12,-2.1 -2,-0.2 2,-0.3 -0.985 16.7-127.6-148.1 146.3 -3.4 -2.7 7.9 8 8 A V E -Ab 18 117A 0 108,-2.6 110,-2.3 -2,-0.3 2,-0.4 -0.732 38.4-111.7 -90.2 142.6 -5.8 -3.4 5.0 9 9 A R E - b 0 118A 101 8,-2.9 8,-0.3 -2,-0.3 110,-0.2 -0.677 29.6-105.7 -85.8 131.5 -8.8 -0.9 4.8 10 10 A F + 0 0 86 108,-2.8 84,-0.3 -2,-0.4 -1,-0.1 -0.111 50.8 145.8 -40.8 137.4 -12.4 -1.9 5.5 11 11 A S B -G 93 0B 21 82,-3.0 82,-1.8 5,-0.1 5,-0.0 -0.670 34.8-171.9-175.8 126.6 -14.9 -2.2 2.6 12 12 A P S S+ 0 0 97 0, 0.0 4,-0.1 0, 0.0 82,-0.1 0.342 76.4 85.2 -87.1 0.1 -17.9 -4.5 1.9 13 13 A G S S- 0 0 27 2,-0.3 76,-0.2 80,-0.1 80,-0.2 -0.033 104.0 -79.2 -90.5-166.3 -17.9 -3.0 -1.7 14 14 A P S S+ 0 0 93 0, 0.0 74,-2.6 0, 0.0 75,-1.1 0.740 106.5 35.2 -71.1 -24.5 -15.9 -3.9 -4.9 15 15 A N E + C 0 87A 69 72,-0.2 -2,-0.3 73,-0.2 72,-0.2 -0.888 53.3 169.0-138.9 163.2 -12.6 -2.1 -3.7 16 16 A A E - C 0 86A 7 70,-3.1 70,-2.1 -2,-0.3 2,-0.3 -0.746 22.8-127.5-153.3-175.7 -10.4 -1.3 -0.8 17 17 A A E - C 0 85A 5 -8,-0.3 -8,-2.9 68,-0.3 2,-0.4 -0.963 13.8-142.0-148.4 156.9 -6.8 0.2 -0.1 18 18 A A E -AC 8 84A 0 66,-2.7 66,-2.1 -2,-0.3 2,-0.3 -0.993 8.0-167.7-137.9 133.5 -3.8 -1.0 2.0 19 19 A Y E +A 7 0A 29 -12,-2.1 -12,-2.2 -2,-0.4 2,-0.3 -0.900 21.4 154.6-115.8 141.0 -1.2 0.8 4.2 20 20 A L E -AD 6 77A 2 57,-1.3 57,-2.9 -2,-0.3 2,-0.7 -0.990 43.0-104.4-168.1 156.4 2.1 -0.8 5.5 21 21 A T E - D 0 76A 23 -16,-1.3 2,-0.4 -2,-0.3 -17,-0.3 -0.787 29.3-159.2 -95.2 108.5 5.7 -0.2 6.7 22 22 A L E + D 0 75A 2 53,-1.5 53,-2.6 -2,-0.7 2,-0.4 -0.753 13.7 180.0 -86.8 130.3 8.4 -1.1 4.2 23 23 A E E - D 0 74A 45 -2,-0.4 51,-0.2 51,-0.2 50,-0.1 -0.993 18.6-146.2-132.0 135.2 11.9 -1.7 5.7 24 24 A N + 0 0 5 49,-2.9 48,-0.7 -2,-0.4 -2,-0.0 -0.902 15.5 178.6-105.8 110.2 15.1 -2.7 3.8 25 25 A P + 0 0 110 0, 0.0 -1,-0.1 0, 0.0 49,-0.0 0.583 56.8 92.6 -82.3 -11.6 17.6 -5.0 5.7 26 26 A G S S- 0 0 22 2,-0.2 46,-1.1 1,-0.1 47,-0.1 -0.156 79.5-126.0 -84.4 174.9 20.0 -5.1 2.8 27 27 A D S S+ 0 0 136 44,-0.2 -1,-0.1 45,-0.1 -3,-0.0 0.376 96.8 61.8 -99.0 -4.4 23.1 -3.1 1.8 28 28 A L S S- 0 0 99 42,-0.1 44,-0.2 1,-0.0 -2,-0.2 -0.833 98.6 -90.9-119.4 156.8 21.6 -2.4 -1.6 29 29 A P - 0 0 67 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.429 32.3-143.2 -75.9 143.8 18.3 -0.5 -2.3 30 30 A L E -H 69 0C 24 39,-2.5 39,-3.1 -2,-0.1 2,-0.4 -0.817 10.9-161.0-102.8 150.9 14.9 -2.2 -2.6 31 31 A R E -H 68 0C 97 -2,-0.3 75,-2.8 37,-0.2 2,-0.7 -0.946 9.0-151.4-142.6 109.8 12.2 -1.1 -5.0 32 32 A L E +HI 67 105C 2 35,-1.7 35,-2.6 -2,-0.4 73,-0.2 -0.748 29.2 156.4 -87.8 107.1 8.5 -2.0 -4.7 33 33 A V E - 0 0 70 71,-2.6 2,-0.3 -2,-0.7 72,-0.2 0.551 63.4 -1.3-108.5 -18.1 7.1 -2.0 -8.3 34 34 A G E - I 0 104C 15 70,-1.3 70,-1.6 10,-0.1 2,-0.3 -0.916 58.3-152.3-157.3-178.4 4.0 -4.3 -7.7 35 35 A A E - I 0 103C 8 68,-0.3 2,-0.3 -2,-0.3 68,-0.2 -0.921 2.4-156.8-156.2 179.8 2.0 -6.4 -5.3 36 36 A R E + I 0 102C 168 66,-1.9 66,-2.5 -2,-0.3 5,-0.1 -0.931 12.2 171.6-156.4 166.0 -0.4 -9.4 -4.7 37 37 A T > - 0 0 16 -2,-0.3 3,-0.6 64,-0.2 64,-0.1 -0.909 41.4-120.5-175.4 151.2 -3.0 -10.4 -2.1 38 38 A P T 3 S+ 0 0 71 0, 0.0 63,-0.1 0, 0.0 61,-0.0 0.532 107.8 62.8 -79.6 -7.9 -5.7 -13.2 -1.7 39 39 A V T 3 S+ 0 0 5 61,-0.4 2,-0.3 51,-0.1 52,-0.1 -0.216 98.4 53.7-114.2 41.9 -8.4 -10.4 -1.3 40 40 A A < - 0 0 15 -3,-0.6 48,-0.3 49,-0.2 49,-0.2 -0.980 50.5-156.0-159.2 164.3 -8.2 -8.7 -4.8 41 41 A E S S+ 0 0 149 46,-2.9 2,-0.4 1,-0.4 47,-0.2 0.722 95.9 29.7-100.8 -46.4 -8.4 -9.3 -8.6 42 42 A R E -E 87 0A 161 45,-2.4 45,-2.7 -6,-0.0 -1,-0.4 -0.951 64.5-168.7-103.2 138.2 -6.4 -6.0 -9.3 43 43 A V E -E 86 0A 41 -2,-0.4 2,-0.3 43,-0.2 43,-0.2 -0.900 12.6-172.9 -99.6 152.6 -3.8 -4.5 -7.1 44 44 A E E -E 85 0A 48 41,-2.1 41,-2.9 -2,-0.4 2,-0.6 -0.978 21.1-129.9-135.4 147.7 -2.7 -1.0 -8.1 45 45 A L E +E 84 0A 14 -2,-0.3 19,-2.8 19,-0.3 2,-0.3 -0.887 37.0 177.4-103.0 118.8 0.1 1.1 -6.6 46 46 A H E -EF 83 63A 14 37,-2.7 37,-2.5 -2,-0.6 2,-0.2 -0.818 25.8-150.5-121.9 156.7 -0.9 4.7 -5.7 47 47 A E E - F 0 62A 22 15,-2.8 15,-0.7 -2,-0.3 2,-0.3 -0.560 13.8-152.9 -98.3 177.8 0.2 8.0 -4.1 48 48 A T E + F 0 61A 35 13,-0.2 2,-0.3 -2,-0.2 13,-0.2 -0.954 21.6 162.4-152.9 150.0 -2.0 10.6 -2.2 49 49 A F E - F 0 60A 64 11,-2.3 11,-2.4 -2,-0.3 2,-0.3 -0.970 39.0 -99.1-158.3 165.7 -1.4 14.3 -1.8 50 50 A M E - F 0 59A 143 -2,-0.3 2,-0.3 9,-0.2 9,-0.3 -0.786 43.0-179.4 -95.2 143.5 -2.7 17.8 -1.0 51 51 A R E - F 0 58A 153 7,-2.9 7,-3.0 -2,-0.3 2,-0.4 -0.991 21.1-135.6-147.5 150.7 -3.7 20.1 -3.9 52 52 A E E + F 0 57A 82 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.886 19.2 172.9-108.5 137.9 -5.0 23.6 -4.6 53 53 A V E > S- F 0 56A 78 3,-2.3 3,-2.2 -2,-0.4 -2,-0.0 -0.967 80.8 -8.4-139.6 128.2 -7.8 24.5 -7.1 54 54 A E T 3 S- 0 0 159 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.689 127.3 -62.0 61.5 19.1 -9.1 28.2 -7.2 55 55 A G T 3 S+ 0 0 49 1,-0.3 2,-0.5 0, 0.0 -1,-0.3 0.585 114.8 122.7 76.2 11.3 -7.0 28.9 -4.0 56 56 A K E < -F 53 0A 114 -3,-2.2 -3,-2.3 0, 0.0 2,-0.5 -0.929 60.1-135.7-110.5 118.8 -9.2 26.2 -2.3 57 57 A K E +F 52 0A 129 -2,-0.5 -5,-0.2 -5,-0.2 2,-0.2 -0.708 34.4 155.7 -94.4 120.2 -7.2 23.3 -0.9 58 58 A V E -F 51 0A 75 -7,-3.0 -7,-2.9 -2,-0.5 2,-0.3 -0.537 36.0-109.0-121.4-178.4 -8.3 19.7 -1.4 59 59 A M E -F 50 0A 154 -9,-0.3 2,-0.3 -2,-0.2 -9,-0.2 -0.816 32.0-179.1-116.1 162.9 -6.7 16.2 -1.4 60 60 A G E -F 49 0A 24 -11,-2.4 -11,-2.3 -2,-0.3 2,-0.3 -0.926 14.0-147.2-154.6 175.1 -6.0 13.8 -4.4 61 61 A M E +F 48 0A 96 -2,-0.3 -13,-0.2 -13,-0.2 21,-0.0 -0.986 13.4 174.5-154.8 145.3 -4.6 10.4 -5.5 62 62 A R E -F 47 0A 135 -15,-0.7 -15,-2.8 -2,-0.3 2,-0.2 -0.967 35.5-102.3-148.2 154.0 -2.9 8.9 -8.5 63 63 A P E -F 46 0A 91 0, 0.0 -17,-0.3 0, 0.0 21,-0.0 -0.535 38.0-160.9 -74.9 154.1 -1.3 5.6 -9.6 64 64 A V - 0 0 23 -19,-2.8 -19,-0.3 -2,-0.2 3,-0.1 -0.937 24.3-124.5-139.5 154.3 2.6 5.6 -9.5 65 65 A P S S- 0 0 103 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.771 79.4 -33.6 -79.0 -27.7 5.2 3.3 -11.2 66 66 A F - 0 0 83 -21,-0.0 2,-0.3 2,-0.0 -33,-0.2 -0.944 49.2-120.4-176.2 164.7 7.1 2.2 -8.0 67 67 A L E -H 32 0C 20 -35,-2.6 -35,-1.7 -2,-0.3 2,-0.3 -0.900 25.3-142.7-114.0 152.2 8.3 3.1 -4.5 68 68 A E E -H 31 0C 71 -2,-0.3 -37,-0.2 -37,-0.2 -2,-0.0 -0.869 12.1-171.4-111.9 145.9 12.0 3.1 -3.4 69 69 A V E -H 30 0C 3 -39,-3.1 -39,-2.5 -2,-0.3 3,-0.1 -0.948 20.7-136.7-134.4 119.8 13.6 2.1 -0.1 70 70 A P > - 0 0 68 0, 0.0 3,-1.5 0, 0.0 -46,-0.3 -0.251 41.5 -75.7 -70.3 159.1 17.3 2.8 0.6 71 71 A P T 3 S+ 0 0 55 0, 0.0 -44,-0.2 0, 0.0 3,-0.1 -0.257 116.8 2.5 -60.4 138.6 19.6 0.2 2.3 72 72 A K T 3 S+ 0 0 126 -46,-1.1 -45,-0.1 -48,-0.7 2,-0.1 0.336 117.9 105.8 64.9 -4.3 19.1 -0.3 6.1 73 73 A G < - 0 0 24 -3,-1.5 -49,-2.9 -47,-0.1 2,-0.3 -0.172 57.2-143.9 -94.1-177.4 16.3 2.4 5.7 74 74 A R E -D 23 0A 103 -51,-0.2 2,-0.3 -3,-0.1 -51,-0.2 -0.990 14.1-179.3-151.2 152.5 12.5 2.4 5.8 75 75 A V E -D 22 0A 51 -53,-2.6 -53,-1.5 -2,-0.3 2,-0.4 -0.906 21.0-141.3-152.7 123.5 9.5 4.0 4.1 76 76 A E E -D 21 0A 48 -2,-0.3 2,-1.8 -55,-0.3 6,-0.3 -0.694 21.3-127.2 -84.3 141.4 5.8 3.3 4.9 77 77 A L E -D 20 0A 1 -57,-2.9 -57,-1.3 -2,-0.4 7,-0.1 -0.699 54.8-168.1 -64.9 80.8 2.9 3.1 2.5 78 78 A K > - 0 0 80 -2,-1.8 3,-1.4 -59,-0.2 -60,-0.0 -0.612 34.3-121.6 -87.1 149.0 1.4 5.6 5.0 79 79 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.763 112.8 63.0 -63.3 -24.4 -2.4 6.8 5.1 80 80 A G T 3 S- 0 0 73 2,-0.1 2,-0.2 -32,-0.0 -32,-0.1 0.055 129.5 -23.5 -79.8 21.7 -1.2 10.4 4.5 81 81 A G S < S+ 0 0 7 -3,-1.4 -32,-0.1 1,-0.2 -4,-0.1 -0.668 109.2 51.0 174.0-118.4 0.2 9.3 1.1 82 82 A Y + 0 0 95 -6,-0.3 2,-0.3 -2,-0.2 -35,-0.3 -0.263 57.9 141.8 -71.9 140.4 1.4 6.1 -0.6 83 83 A H E - E 0 46A 2 -37,-2.5 -37,-2.7 -6,-0.1 2,-0.4 -0.985 48.0-104.0-162.6 156.2 -0.8 3.0 -0.6 84 84 A F E -CE 18 45A 0 -66,-2.1 -66,-2.7 -2,-0.3 2,-0.5 -0.742 28.1-142.3 -83.0 140.5 -2.0 -0.0 -2.6 85 85 A M E -CE 17 44A 39 -41,-2.9 -41,-2.1 -2,-0.4 2,-0.5 -0.905 14.2-157.2 -93.1 131.9 -5.5 0.0 -4.1 86 86 A L E +CE 16 43A 1 -70,-2.1 -70,-3.1 -2,-0.5 2,-0.3 -0.956 14.3 179.0-110.9 125.2 -7.2 -3.4 -3.9 87 87 A L E +CE 15 42A 45 -45,-2.7 -46,-2.9 -2,-0.5 -45,-2.4 -0.977 59.3 30.1-130.8 142.6 -10.1 -4.0 -6.4 88 88 A G S S- 0 0 30 -74,-2.6 -1,-0.2 -2,-0.3 -73,-0.2 0.906 83.7-157.3 77.4 43.3 -12.2 -7.2 -6.9 89 89 A L - 0 0 32 -75,-1.1 -49,-0.2 -76,-0.2 -50,-0.1 -0.050 22.0-156.2 -56.8 154.5 -11.9 -8.4 -3.3 90 90 A K S S+ 0 0 110 1,-0.3 -51,-0.1 -49,-0.0 -1,-0.1 0.568 85.7 43.7-116.5 -16.8 -12.4 -12.0 -2.2 91 91 A R S S- 0 0 79 -52,-0.1 2,-0.8 3,-0.0 -1,-0.3 -0.996 85.1-129.9-113.1 127.4 -13.4 -11.3 1.5 92 92 A P - 0 0 75 0, 0.0 2,-0.3 0, 0.0 -82,-0.1 -0.753 50.4-142.7 -66.4 110.0 -15.9 -8.4 2.0 93 93 A L B +G 11 0B 1 -82,-1.8 -82,-3.0 -2,-0.8 2,-0.3 -0.641 32.2 161.1-114.5 147.1 -13.5 -7.1 4.6 94 94 A K > - 0 0 93 -2,-0.3 3,-2.0 -84,-0.3 23,-0.2 -0.874 44.4 -44.6-156.3 166.0 -14.0 -5.5 7.8 95 95 A A T 3 S+ 0 0 60 1,-0.3 23,-0.3 -2,-0.3 -86,-0.0 -0.238 119.3 19.5 -57.9 126.1 -12.7 -4.4 11.3 96 96 A G T 3 S+ 0 0 75 21,-2.5 -1,-0.3 1,-0.3 22,-0.1 0.363 94.1 124.5 92.1 1.0 -10.8 -7.3 13.0 97 97 A E < - 0 0 32 -3,-2.0 20,-2.4 20,-0.2 2,-0.3 -0.035 53.0-126.6 -79.9-167.8 -10.0 -9.4 9.9 98 98 A E E + J 0 116C 117 18,-0.3 2,-0.3 -91,-0.1 -91,-0.0 -0.994 25.9 175.2-158.5 121.8 -6.7 -10.7 8.6 99 99 A V E - J 0 115C 5 16,-3.0 16,-2.9 -2,-0.3 2,-0.3 -0.989 21.6-133.8-148.8 133.4 -5.1 -10.4 5.1 100 100 A E E - 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