==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 09-APR-10 3MHX . COMPND 2 MOLECULE: PUTATIVE FERROUS IRON TRANSPORT PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: STENOTROPHOMONAS MALTOPHILIA; . AUTHOR S.-H.CHOU,Y.-C.SU,K.-H.CHIN,H.-C.HUNG,G.-H.SHEN,A.H.-J.WANG . 166 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9276.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 30.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 21 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 2 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 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 4 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 0 A A 0 0 121 0, 0.0 2,-0.3 0, 0.0 76,-0.1 0.000 360.0 360.0 360.0 150.0 34.7 34.2 1.0 2 1 A M - 0 0 35 74,-0.4 74,-2.0 2,-0.0 2,-0.3 -0.578 360.0-160.4 -78.1 138.5 37.8 33.2 3.0 3 2 A T B > -A 75 0A 16 -2,-0.3 3,-2.1 72,-0.2 72,-0.2 -0.764 32.9-106.4-117.6 165.1 38.1 35.0 6.3 4 3 A L G > S+ 0 0 0 70,-2.5 3,-1.7 67,-0.9 68,-0.2 0.783 114.5 70.9 -59.4 -28.0 40.9 35.7 8.7 5 4 A S G 3 S+ 0 0 16 66,-0.4 -1,-0.3 1,-0.3 67,-0.1 0.676 100.5 47.1 -63.7 -15.9 39.5 33.1 11.1 6 5 A E G < S+ 0 0 101 -3,-2.1 -1,-0.3 65,-0.2 -2,-0.2 0.346 80.2 122.7-107.5 4.5 40.6 30.5 8.5 7 6 A L < - 0 0 0 -3,-1.7 3,-0.1 -4,-0.2 4,-0.1 -0.561 61.3-126.7 -73.4 121.7 44.1 31.7 7.9 8 7 A P > - 0 0 46 0, 0.0 3,-1.0 0, 0.0 36,-0.4 -0.214 34.4 -82.5 -64.9 154.8 46.7 29.0 8.7 9 8 A L T 3 S+ 0 0 68 1,-0.2 36,-0.2 40,-0.2 3,-0.1 -0.198 114.3 17.3 -55.7 149.2 49.6 29.5 11.1 10 9 A H T 3 S+ 0 0 100 34,-1.6 74,-3.0 1,-0.2 2,-0.4 0.775 101.4 121.1 57.1 30.9 52.7 31.2 9.6 11 10 A T E < -CD 44 83B 11 -3,-1.0 33,-1.9 33,-0.5 2,-0.3 -0.982 46.0-159.0-130.4 136.2 50.7 32.5 6.7 12 11 A S E +CD 43 82B 1 70,-2.5 70,-2.0 -2,-0.4 2,-0.3 -0.753 12.8 177.4-107.0 157.3 50.1 36.0 5.5 13 12 A A E -C 42 0B 0 29,-2.1 29,-2.7 -2,-0.3 2,-0.4 -0.982 31.9-104.7-154.9 156.6 47.2 37.3 3.3 14 13 A V E -C 41 0B 45 63,-0.5 63,-2.7 -2,-0.3 27,-0.2 -0.731 35.9-121.5 -90.1 132.3 46.0 40.5 1.8 15 14 A V E -B 76 0A 1 25,-2.9 24,-2.6 -2,-0.4 61,-0.3 -0.481 26.1-178.2 -71.5 136.7 42.9 42.1 3.4 16 15 A E E - 0 0 92 59,-3.5 2,-0.3 1,-0.5 22,-0.2 0.803 60.8 -44.8-100.7 -43.9 40.0 42.6 1.1 17 16 A S E -B 75 0A 37 58,-1.4 58,-2.5 20,-0.1 2,-0.5 -0.969 46.1-109.4-173.2 174.2 37.5 44.2 3.5 18 17 A V E -B 74 0A 8 -2,-0.3 2,-0.3 56,-0.2 56,-0.2 -0.979 35.9-152.7-123.5 113.4 35.9 44.1 6.9 19 18 A Q - 0 0 113 54,-2.9 2,-0.1 -2,-0.5 -2,-0.0 -0.709 15.7-118.3 -92.3 136.9 32.3 43.0 6.8 20 19 A D - 0 0 83 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 -0.462 12.8-157.5 -69.7 142.3 29.7 44.0 9.4 21 20 A L S S- 0 0 70 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.749 77.6 -8.6 -88.6 -29.6 28.2 41.0 11.2 22 21 A H S S- 0 0 31 -3,-0.0 3,-0.4 0, 0.0 -1,-0.3 -0.931 98.6 -58.7-155.9 172.6 25.1 43.0 12.1 23 22 A A S S+ 0 0 90 -2,-0.3 3,-0.2 1,-0.2 -2,-0.0 -0.328 120.2 13.7 -62.3 140.2 23.9 46.6 12.0 24 23 A N S S- 0 0 127 1,-0.2 2,-1.1 2,-0.1 -1,-0.2 0.980 82.9-168.4 56.7 60.8 26.1 49.1 13.9 25 24 A D > - 0 0 4 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 -0.713 13.2-178.3 -86.4 98.2 29.0 46.7 14.2 26 25 A A H > S+ 0 0 14 -2,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.811 81.3 54.5 -65.9 -33.1 31.4 48.3 16.7 27 26 A I H > S+ 0 0 20 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.936 108.3 47.8 -67.5 -46.2 33.9 45.5 16.4 28 27 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.918 112.5 50.7 -60.3 -42.5 34.1 45.8 12.6 29 28 A R H X S+ 0 0 114 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.918 109.5 49.9 -61.2 -45.1 34.5 49.5 13.0 30 29 A R H X S+ 0 0 147 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.892 108.8 52.8 -61.6 -40.7 37.3 49.1 15.6 31 30 A L H <>S+ 0 0 8 -4,-2.4 5,-2.0 2,-0.2 3,-0.3 0.906 108.7 49.2 -63.1 -41.9 39.1 46.6 13.3 32 31 A R H ><5S+ 0 0 92 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.928 109.6 52.2 -64.1 -42.5 39.0 49.1 10.3 33 32 A E H 3<5S+ 0 0 157 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.759 104.9 57.8 -63.8 -25.7 40.4 51.9 12.6 34 33 A L T 3<5S- 0 0 92 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.338 130.3 -82.9 -89.9 6.7 43.3 49.7 13.7 35 34 A G T < 5S+ 0 0 30 -3,-1.5 2,-2.2 -4,-0.2 -3,-0.2 0.349 84.3 133.5 113.4 -9.2 44.7 49.0 10.2 36 35 A F < + 0 0 1 -5,-2.0 2,-0.3 23,-0.1 -1,-0.2 -0.529 39.6 137.8 -77.1 80.6 42.6 46.2 8.9 37 36 A V > - 0 0 67 -2,-2.2 3,-2.2 -3,-0.1 -22,-0.3 -0.926 61.7 -74.8-129.2 154.0 42.0 47.8 5.5 38 37 A K T 3 S+ 0 0 175 -2,-0.3 -22,-0.2 1,-0.3 3,-0.1 -0.086 115.4 20.9 -45.6 132.2 42.0 46.6 1.8 39 38 A G T 3 S+ 0 0 45 -24,-2.6 2,-0.3 1,-0.3 -1,-0.3 0.173 94.6 117.5 94.4 -18.3 45.4 46.0 0.4 40 39 A E < - 0 0 107 -3,-2.2 -25,-2.9 -25,-0.1 -1,-0.3 -0.609 64.2-119.6 -88.8 145.3 47.2 45.6 3.8 41 40 A E E -C 14 0B 95 -2,-0.3 19,-0.7 -27,-0.2 2,-0.4 -0.603 27.5-174.2 -84.3 137.9 48.8 42.3 4.8 42 41 A V E -CE 13 59B 0 -29,-2.7 -29,-2.1 -2,-0.3 2,-0.4 -0.981 5.2-162.3-129.9 141.7 47.7 40.4 7.8 43 42 A R E -CE 12 58B 70 15,-2.2 15,-2.8 -2,-0.4 2,-0.8 -0.976 21.8-127.2-132.9 145.2 49.4 37.3 9.3 44 43 A M E +CE 11 57B 0 -33,-1.9 -34,-1.6 -36,-0.4 -33,-0.5 -0.780 30.7 173.2 -87.1 109.2 48.4 34.5 11.7 45 44 A V E - 0 0 34 11,-2.6 2,-0.3 -2,-0.8 12,-0.2 0.878 58.3 -2.2 -85.5 -43.8 51.1 34.4 14.3 46 45 A A E S+ E 0 56B 38 10,-1.5 10,-2.7 1,-0.3 -1,-0.3 -0.996 104.1 17.3-153.5 156.9 49.8 31.9 16.8 47 46 A K S S+ 0 0 107 -2,-0.3 9,-0.4 8,-0.2 -1,-0.3 0.891 78.1 93.0 48.3 115.2 46.8 29.7 17.7 48 47 A G + 0 0 3 2,-1.3 2,-0.2 1,-0.6 3,-0.1 0.472 54.8 53.9 94.1 126.5 44.3 28.9 14.9 49 48 A P S S- 0 0 50 0, 0.0 -1,-0.6 0, 0.0 -40,-0.2 0.546 131.0 -9.9 -67.8 157.5 43.6 27.1 12.7 50 49 A V S S+ 0 0 133 -2,-0.2 2,-2.4 -3,-0.1 -2,-1.3 0.022 115.2 68.6 67.1 174.2 43.6 24.2 15.2 51 50 A G S S- 0 0 64 -4,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.308 99.5-116.2 78.4 -58.7 45.0 24.7 18.7 52 51 A G + 0 0 23 -2,-2.4 58,-0.0 2,-0.0 0, 0.0 -0.983 49.8 15.1 134.9-143.0 42.1 27.0 19.6 53 52 A E S S+ 0 0 50 -2,-0.4 2,-0.2 2,-0.1 14,-0.1 -0.867 79.9 46.6-131.6 164.8 41.7 30.7 20.5 54 53 A P - 0 0 73 0, 0.0 2,-0.6 0, 0.0 13,-0.2 0.587 68.7-140.3 -75.2 166.3 42.5 33.5 20.8 55 54 A L E - F 0 66B 2 11,-3.1 11,-2.5 -2,-0.2 2,-0.9 -0.846 10.2-147.9 -93.3 121.0 43.9 34.0 17.3 56 55 A L E +EF 46 65B 56 -10,-2.7 -11,-2.6 -2,-0.6 -10,-1.5 -0.824 26.7 176.8 -94.4 106.8 47.0 36.1 17.5 57 56 A V E -EF 44 64B 0 7,-2.4 7,-2.7 -2,-0.9 2,-0.4 -0.803 17.9-145.6-112.4 153.0 47.1 38.1 14.3 58 57 A Q E +EF 43 63B 28 -15,-2.8 -15,-2.2 -2,-0.3 2,-0.5 -0.969 14.1 179.6-126.3 131.1 49.5 40.8 13.1 59 58 A V E > S-EF 42 62B 13 3,-2.3 3,-2.4 -2,-0.4 2,-0.6 -0.995 74.7 -34.4-125.1 121.7 48.9 43.9 11.0 60 59 A G T 3 S- 0 0 58 -19,-0.7 -25,-0.0 -2,-0.5 -2,-0.0 -0.550 124.8 -36.5 66.9-113.2 52.0 46.0 10.3 61 60 A F T 3 S+ 0 0 199 -2,-0.6 2,-0.4 2,-0.0 -1,-0.3 0.132 117.4 98.1-128.5 18.4 53.9 45.6 13.5 62 61 A T E < -F 59 0B 77 -3,-2.4 -3,-2.3 2,-0.0 2,-0.4 -0.897 58.7-149.4-111.0 137.5 51.0 45.5 15.9 63 62 A R E -F 58 0B 149 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.895 11.4-169.9-111.8 136.4 49.5 42.2 17.2 64 63 A F E -F 57 0B 43 -7,-2.7 -7,-2.4 -2,-0.4 2,-0.6 -0.919 19.4-137.0-124.6 147.6 45.9 41.6 18.2 65 64 A A E -F 56 0B 66 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.911 32.9-176.9-102.2 121.9 44.1 38.7 20.0 66 65 A L E -F 55 0B 11 -11,-2.5 -11,-3.1 -2,-0.6 2,-0.1 -0.941 26.0-132.6-126.8 144.1 40.9 37.9 18.3 67 66 A R >> - 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0 0 0 -3,-1.6 3,-0.1 -4,-0.3 4,-0.1 -0.503 66.6-121.0 -68.5 121.2 14.3 38.9 21.7 94 7 B P > - 0 0 63 0, 0.0 3,-0.9 0, 0.0 36,-0.3 -0.214 38.5 -80.4 -62.5 152.9 12.5 42.3 21.8 95 8 B L T 3 S+ 0 0 75 1,-0.2 36,-0.2 34,-0.1 72,-0.2 -0.229 115.3 11.0 -54.5 136.7 13.2 44.8 24.6 96 9 B H T 3 S+ 0 0 78 34,-2.2 71,-2.9 37,-0.3 2,-0.3 0.877 102.7 120.1 58.6 42.0 11.3 44.0 27.8 97 10 B T E < -I 166 0D 6 -3,-0.9 33,-2.3 33,-0.5 2,-0.3 -0.967 48.7-150.0-132.9 147.6 10.2 40.6 26.5 98 11 B S E +IJ 165 129D 1 67,-2.5 67,-1.9 -2,-0.3 2,-0.3 -0.817 15.0 175.9-117.5 159.2 11.0 37.2 28.1 99 12 B A E - J 0 128D 1 29,-2.1 29,-2.9 -2,-0.3 2,-0.5 -0.974 31.8-106.4-155.3 161.9 11.4 33.7 26.5 100 13 B V E - J 0 127D 48 60,-0.5 60,-2.8 -2,-0.3 27,-0.2 -0.824 37.1-119.0 -98.0 131.0 12.3 30.2 27.5 101 14 B V E -H 159 0C 3 25,-3.0 24,-2.3 -2,-0.5 58,-0.3 -0.440 26.2-178.0 -69.6 140.1 15.7 28.8 26.5 102 15 B E E - 0 0 96 56,-3.3 2,-0.3 1,-0.4 22,-0.3 0.811 60.1 -51.8-100.7 -53.1 15.8 25.8 24.2 103 16 B S E -H 158 0C 51 55,-1.2 55,-2.7 20,-0.2 2,-0.5 -0.962 48.6 -97.5-171.6 179.5 19.5 25.3 23.9 104 17 B V E -H 157 0C 11 -2,-0.3 2,-0.4 53,-0.2 53,-0.2 -0.983 35.3-150.7-119.4 122.3 22.9 26.9 23.2 105 18 B Q - 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