==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 28-MAR-12 4EEB . COMPND 2 MOLECULE: MAGNESIUM TRANSPORT PROTEIN CORA; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR R.PFOH,E.F.PAI . 1572 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 69439.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1288 81.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 171 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.3 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 . 15 1.0 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 . 92 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 200 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 772 49.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.1 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 1 1 1 1 10 0 3 3 0 0 0 0 1 3 0 0 0 0 0 0 0 0 0 1 1 0 14 RESIDUES PER ALPHA HELIX . 1 1 0 1 1 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 PARALLEL BRIDGES PER LADDER . 2 1 6 2 5 8 1 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 1 0 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 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 26 A D 0 0 161 0, 0.0 2,-0.2 0, 0.0 42,-0.2 0.000 360.0 360.0 360.0-162.3 0.2 7.5 5.2 2 27 A F + 0 0 24 41,-0.1 2,-0.3 40,-0.1 39,-0.2 -0.860 360.0 152.2-162.0 141.1 -1.6 10.9 5.1 3 28 A E E -A 40 0A 43 37,-1.7 37,-2.2 -2,-0.2 2,-0.4 -0.987 28.9-149.8-159.5 152.2 -4.0 12.7 2.6 4 29 A I E -A 39 0A 3 15,-0.3 15,-2.3 -2,-0.3 2,-0.5 -0.988 16.2-176.8-128.9 124.6 -6.8 15.2 2.3 5 30 A E E -AB 38 18A 17 33,-2.4 33,-1.0 -2,-0.4 2,-0.3 -0.872 6.6-177.8-124.4 96.6 -9.4 14.6 -0.5 6 31 A V E -AB 37 17A 1 11,-1.3 11,-2.1 -2,-0.5 2,-0.4 -0.682 9.6-165.4 -94.3 145.5 -12.1 17.4 -0.9 7 32 A M E -AB 36 16A 1 29,-1.8 29,-1.8 -2,-0.3 2,-0.7 -0.960 2.8-173.1-133.0 114.6 -15.0 17.4 -3.4 8 33 A N E +AB 35 15A 19 7,-2.7 7,-1.3 -2,-0.4 2,-0.3 -0.889 19.4 172.9-111.6 99.8 -16.9 20.6 -4.0 9 34 A Y E - B 0 14A 1 -2,-0.7 2,-0.3 25,-0.6 5,-0.3 -0.783 17.1-178.3-117.5 153.5 -20.0 19.9 -6.3 10 35 A S - 0 0 29 3,-2.7 128,-0.1 -2,-0.3 127,-0.1 -0.990 45.8-102.4-145.6 145.0 -23.0 21.8 -7.6 11 36 A I S S+ 0 0 92 -2,-0.3 127,-0.1 126,-0.3 3,-0.1 0.764 125.0 40.4 -38.0 -36.5 -26.0 20.8 -9.8 12 37 A E S S- 0 0 179 1,-0.2 2,-0.3 125,-0.1 -1,-0.2 0.980 129.1 -8.4 -75.4 -65.2 -24.2 22.6 -12.7 13 38 A E - 0 0 117 124,-0.1 -3,-2.7 2,-0.0 2,-0.3 -0.816 54.9-150.7-134.6 169.8 -20.5 21.7 -12.1 14 39 A F E -B 9 0A 62 -5,-0.3 2,-0.3 -2,-0.3 -5,-0.2 -0.927 3.9-169.4-137.0 160.4 -18.0 19.9 -9.7 15 40 A R E +B 8 0A 115 -7,-1.3 -7,-2.7 -2,-0.3 2,-0.3 -0.978 8.4 178.9-145.7 144.7 -14.4 20.1 -8.7 16 41 A E E +B 7 0A 60 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.962 4.3 173.2-138.4 158.1 -12.3 17.7 -6.6 17 42 A F E -B 6 0A 52 -11,-2.1 -11,-1.3 -2,-0.3 2,-0.5 -0.989 26.7-132.5-162.4 160.3 -8.6 17.6 -5.5 18 43 A K E +B 5 0A 139 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.972 36.2 150.9-114.4 125.4 -5.9 15.9 -3.3 19 44 A T - 0 0 47 -15,-2.3 -15,-0.3 -2,-0.5 -2,-0.1 -0.975 38.9-150.9-153.7 140.1 -3.6 18.0 -1.2 20 45 A T S S+ 0 0 84 -2,-0.3 2,-0.5 -17,-0.2 -15,-0.1 0.085 72.0 101.3-100.5 20.5 -1.8 17.3 2.2 21 46 A D - 0 0 85 -17,-0.1 4,-0.4 1,-0.1 3,-0.3 -0.923 59.8-157.7-102.2 129.7 -1.9 21.0 3.1 22 47 A V S S+ 0 0 15 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.313 84.0 63.7 -94.7 7.2 -4.7 21.7 5.7 23 48 A E S > S+ 0 0 89 2,-0.1 3,-0.5 1,-0.1 -1,-0.2 0.660 93.6 60.2 -97.1 -24.6 -5.0 25.5 5.0 24 49 A S T 3 S+ 0 0 40 -3,-0.3 4,-0.2 1,-0.2 -2,-0.1 0.767 103.5 50.8 -74.3 -28.3 -6.2 25.1 1.4 25 50 A V T 3 S+ 0 0 2 -4,-0.4 -1,-0.2 1,-0.2 3,-0.2 0.407 91.8 79.4 -91.1 -0.8 -9.3 23.1 2.4 26 51 A L S X S+ 0 0 4 -3,-0.5 3,-1.4 1,-0.2 4,-0.3 0.781 79.2 64.9 -79.2 -31.2 -10.4 25.7 5.0 27 52 A P G > S+ 0 0 78 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.848 87.8 74.0 -55.2 -31.1 -12.0 28.2 2.6 28 53 A F G > S+ 0 0 20 1,-0.3 3,-1.1 -4,-0.2 81,-0.1 0.526 75.0 78.5 -64.9 -10.6 -14.6 25.5 1.7 29 54 A R G < S+ 0 0 73 -3,-1.4 80,-0.5 1,-0.2 -1,-0.3 0.917 94.8 49.3 -55.6 -44.6 -16.4 26.1 5.1 30 55 A D G < S+ 0 0 104 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.2 -0.082 84.6 133.4 -92.5 30.9 -18.0 29.2 3.6 31 56 A S < - 0 0 22 -3,-1.1 78,-0.2 1,-0.2 4,-0.1 -0.672 47.2-160.2 -82.4 135.5 -19.2 27.5 0.4 32 57 A S S S+ 0 0 106 -2,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.873 83.4 73.3 -68.3 -43.4 -22.7 28.0 -0.8 33 58 A T S S- 0 0 34 1,-0.1 -23,-0.1 -3,-0.1 -2,-0.1 -0.453 101.6 -98.1 -73.2 139.1 -22.1 24.8 -2.8 34 59 A P - 0 0 13 0, 0.0 -25,-0.6 0, 0.0 2,-0.3 -0.122 42.5-162.1 -49.9 153.8 -22.1 21.5 -0.8 35 60 A T E -Ac 8 110A 0 74,-1.4 76,-1.6 -27,-0.2 2,-0.4 -0.987 17.6-159.5-141.2 149.0 -18.7 20.0 0.1 36 61 A W E -Ac 7 111A 1 -29,-1.8 -29,-1.8 -2,-0.3 2,-0.5 -0.945 13.3-169.1-128.5 110.3 -17.4 16.6 1.2 37 62 A I E -Ac 6 112A 3 74,-1.6 76,-1.6 -2,-0.4 2,-0.6 -0.884 1.9-165.7-102.6 124.5 -14.0 16.8 3.0 38 63 A N E -Ac 5 113A 1 -33,-1.0 -33,-2.4 -2,-0.5 2,-0.6 -0.955 4.4-166.2-110.1 111.2 -12.3 13.4 3.6 39 64 A I E -Ac 4 114A 4 74,-4.7 76,-3.4 -2,-0.6 2,-0.4 -0.872 10.0-167.8 -88.8 126.3 -9.4 13.4 6.0 40 65 A T E +Ac 3 115A 1 -37,-2.2 -37,-1.7 -2,-0.6 76,-0.2 -0.966 62.4 30.9-112.9 136.7 -7.5 10.1 5.5 41 66 A G > - 0 0 3 74,-2.4 3,-0.6 -2,-0.4 75,-0.3 0.899 59.2-162.9 77.2 94.8 -5.0 9.1 8.2 42 67 A I T 3 S+ 0 0 13 1,-0.2 74,-0.1 -3,-0.1 -1,-0.1 0.186 70.4 95.3 -94.2 16.5 -5.9 10.5 11.7 43 68 A H T 3 + 0 0 118 73,-0.3 2,-1.7 -42,-0.2 -1,-0.2 0.763 66.1 83.3 -70.5 -27.2 -2.4 10.0 13.1 44 69 A R X> + 0 0 72 -3,-0.6 3,-1.0 1,-0.2 4,-0.9 -0.597 56.9 173.8 -78.3 80.8 -1.8 13.7 12.2 45 70 A T H 3> S+ 0 0 82 -2,-1.7 4,-0.8 1,-0.2 -1,-0.2 0.521 72.1 68.1 -74.1 -4.8 -3.4 15.2 15.4 46 71 A D H 3> S+ 0 0 82 2,-0.1 4,-1.7 3,-0.1 -1,-0.2 0.847 100.9 45.5 -72.1 -37.9 -2.2 18.7 14.2 47 72 A V H <> S+ 0 0 2 -3,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.707 109.5 53.2 -85.1 -23.9 -4.6 18.7 11.3 48 73 A V H X S+ 0 0 3 -4,-0.9 4,-1.0 2,-0.2 -1,-0.2 0.818 114.0 44.4 -72.7 -36.9 -7.7 17.4 13.3 49 74 A Q H X S+ 0 0 114 -4,-0.8 4,-1.8 2,-0.2 5,-0.2 0.845 114.2 49.2 -72.0 -40.1 -7.1 20.3 15.8 50 75 A R H X S+ 0 0 80 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.952 120.8 34.6 -64.4 -52.5 -6.5 22.9 13.0 51 76 A V H X S+ 0 0 3 -4,-1.7 4,-1.4 1,-0.2 6,-0.3 0.742 115.0 61.5 -73.2 -25.9 -9.7 21.9 11.1 52 77 A G H <>S+ 0 0 0 -4,-1.0 5,-1.3 2,-0.2 4,-0.3 0.865 111.3 36.0 -66.9 -38.4 -11.4 21.2 14.4 53 78 A E H <5S+ 0 0 117 -4,-1.8 3,-0.4 3,-0.2 -2,-0.2 0.869 110.7 60.6 -82.1 -40.8 -11.1 24.8 15.6 54 79 A F H <5S+ 0 0 57 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.1 0.928 109.7 42.3 -52.6 -52.1 -11.6 26.5 12.2 55 80 A F T <5S- 0 0 17 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.684 120.0-115.1 -66.1 -21.9 -15.1 25.0 11.8 56 81 A G T 5 + 0 0 56 -3,-0.4 -3,-0.2 -4,-0.3 -2,-0.1 0.458 55.0 167.1 100.5 6.7 -15.6 25.8 15.6 57 82 A I < - 0 0 9 -5,-1.3 -1,-0.2 -6,-0.3 -2,-0.0 -0.152 39.4-109.1 -62.2 143.3 -15.9 22.2 16.7 58 83 A H >> - 0 0 52 1,-0.1 4,-1.6 2,-0.0 3,-0.5 -0.362 23.3-124.9 -65.0 146.8 -15.8 21.4 20.4 59 84 A P H 3> S+ 0 0 86 0, 0.0 4,-1.8 0, 0.0 5,-0.3 0.967 104.8 66.0 -57.5 -54.3 -12.7 19.6 21.6 60 85 A L H 3> S+ 0 0 25 1,-0.3 4,-1.1 2,-0.2 -3,-0.0 0.726 107.9 45.4 -42.6 -31.8 -14.4 16.5 23.3 61 86 A V H <> S+ 0 0 4 -3,-0.5 4,-2.7 2,-0.2 -1,-0.3 0.936 109.1 52.4 -71.6 -55.3 -15.4 15.7 19.7 62 87 A L H < S+ 0 0 15 -4,-1.6 4,-0.4 1,-0.3 -2,-0.2 0.623 111.3 50.0 -61.2 -14.7 -12.0 16.3 18.2 63 88 A E H X S+ 0 0 112 -4,-1.8 4,-2.8 2,-0.2 3,-0.4 0.826 107.9 50.7 -86.0 -43.0 -10.6 14.0 20.8 64 89 A D H < S+ 0 0 5 -4,-1.1 -2,-0.2 -5,-0.3 -3,-0.1 0.830 101.0 63.9 -66.5 -33.4 -13.2 11.2 20.0 65 90 A I T < S+ 0 0 0 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.926 110.7 40.2 -42.0 -48.1 -12.2 11.6 16.4 66 91 A L T 4 S+ 0 0 55 -3,-0.4 2,-1.4 -4,-0.4 -2,-0.3 0.949 93.3 84.2 -75.7 -53.9 -8.9 10.4 17.7 67 92 A N < + 0 0 54 -4,-2.8 -1,-0.1 1,-0.2 -4,-0.0 -0.301 57.6 178.6 -52.0 86.9 -10.1 7.7 20.1 68 93 A V + 0 0 26 -2,-1.4 2,-0.6 1,-0.1 -1,-0.2 0.238 64.5 76.0 -86.6 12.4 -10.4 4.9 17.4 69 94 A H S S+ 0 0 147 2,-0.1 2,-0.3 32,-0.0 -1,-0.1 -0.894 77.1 131.9-112.6 92.2 -11.5 2.3 19.9 70 95 A Q - 0 0 12 -2,-0.6 1428,-0.0 1431,-0.0 3,-0.0 -0.998 65.1-108.9-147.2 150.9 -15.1 3.6 20.4 71 96 A R - 0 0 51 -2,-0.3 13,-0.1 1426,-0.1 1430,-0.1 -0.687 52.6-108.2 -71.7 118.1 -18.8 2.6 20.5 72 97 A P + 0 0 4 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.200 56.9 161.6 -47.1 134.1 -20.3 4.0 17.3 73 98 A K E -D 84 0A 12 11,-0.6 11,-2.8 2,-0.0 2,-0.4 -0.987 39.4-132.4-158.4 163.9 -22.6 7.0 18.1 74 99 A V E +D 83 0A 25 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.991 21.9 177.6-121.3 127.6 -24.6 10.1 17.2 75 100 A E E -D 82 0A 14 7,-2.0 7,-3.2 -2,-0.4 2,-0.3 -0.996 14.3-149.2-130.3 139.0 -24.4 13.4 19.1 76 101 A F E +D 81 0A 57 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.784 20.5 163.6-108.1 149.8 -26.2 16.7 18.1 77 102 A F - 0 0 72 3,-1.1 4,-0.0 -2,-0.3 -1,-0.0 -0.503 50.5 -71.7-140.7-155.7 -25.2 20.3 18.8 78 103 A E S S+ 0 0 176 -2,-0.2 3,-0.1 1,-0.1 -2,-0.0 0.912 120.5 5.1 -78.5 -48.7 -26.0 23.9 17.6 79 104 A N S S+ 0 0 113 1,-0.2 29,-0.6 28,-0.0 2,-0.3 0.220 127.8 36.3-125.9 10.4 -24.5 24.0 14.1 80 105 A Y E - E 0 107A 26 27,-0.2 -3,-1.1 2,-0.0 2,-0.3 -0.985 60.5-137.3-163.7 151.2 -23.3 20.4 13.5 81 106 A V E -DE 76 106A 11 25,-2.0 25,-1.2 -2,-0.3 2,-0.4 -0.817 19.7-141.9-111.2 156.7 -24.1 16.8 14.1 82 107 A F E +DE 75 105A 0 -7,-3.2 -7,-2.0 -2,-0.3 2,-0.3 -0.956 18.2 175.8-124.9 133.2 -21.6 14.1 15.1 83 108 A I E -DE 74 104A 2 21,-1.7 21,-2.7 -2,-0.4 2,-0.5 -0.920 13.2-162.3-143.5 118.2 -21.4 10.4 14.0 84 109 A V E +DE 73 103A 0 -11,-2.8 -11,-0.6 -2,-0.3 2,-0.3 -0.838 24.2 175.5 -94.0 126.0 -18.7 7.8 14.9 85 110 A L E - E 0 102A 2 17,-2.7 17,-2.9 -2,-0.5 2,-0.2 -0.980 20.2-148.5-136.0 149.3 -18.8 4.8 12.5 86 111 A K E - E 0 101A 12 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.676 3.8-159.0-107.2 166.1 -16.8 1.6 11.9 87 112 A M - 0 0 6 13,-1.2 13,-0.5 -2,-0.2 2,-0.2 -0.957 18.5-138.2-147.3 123.7 -16.1 -0.2 8.6 88 113 A F - 0 0 12 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.541 16.6-172.6 -96.8 153.2 -15.1 -3.9 8.6 89 114 A T E -G 98 0B 91 9,-1.5 9,-3.1 -2,-0.2 2,-0.5 -0.921 13.7-160.8-141.6 111.8 -12.6 -6.0 6.7 90 115 A Y E -G 97 0B 13 -2,-0.3 2,-0.8 7,-0.3 7,-0.3 -0.818 12.2-143.6-106.8 132.4 -12.5 -9.7 7.1 91 116 A D E > -G 96 0B 64 5,-4.8 5,-1.7 -2,-0.5 4,-0.4 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-0.809 23.7-178.9 -93.5 112.8 -12.9 4.3 12.6 102 127 A V E -E 85 0A 2 -17,-2.9 -17,-2.7 -2,-0.7 2,-0.3 -0.936 9.6-165.9-105.6 117.1 -14.6 6.8 10.3 103 128 A S E -EF 84 114A 0 11,-1.2 11,-2.2 -2,-0.6 2,-0.4 -0.805 4.5-161.1-105.3 146.2 -15.9 9.8 12.2 104 129 A L E -EF 83 113A 6 -21,-2.7 -21,-1.7 -2,-0.3 2,-0.6 -0.962 13.3-172.2-142.0 124.9 -18.4 12.3 10.5 105 130 A I E -EF 82 112A 0 7,-1.7 7,-2.1 -2,-0.4 2,-0.6 -0.934 10.1-157.7-119.1 113.8 -19.6 15.9 11.2 106 131 A L E +EF 81 111A 6 -25,-1.2 -25,-2.0 -2,-0.6 2,-0.3 -0.783 30.6 149.9 -86.3 121.5 -22.4 17.4 9.3 107 132 A T E > -EF 80 110A 6 3,-2.2 3,-1.9 -2,-0.6 -27,-0.2 -0.953 60.6 -41.1-156.2 132.7 -22.1 21.2 9.4 108 133 A K T 3 S- 0 0 109 -29,-0.6 33,-0.1 -2,-0.3 -78,-0.1 -0.266 123.5 -24.1 49.5-120.6 -23.2 23.9 6.9 109 134 A N T 3 S+ 0 0 49 -80,-0.5 -74,-1.4 -78,-0.2 2,-0.4 -0.266 121.4 97.3-109.4 41.3 -22.4 22.6 3.5 110 135 A C E < -cF 35 107A 0 -3,-1.9 -3,-2.2 -76,-0.2 2,-0.8 -0.955 48.7-171.3-145.9 117.6 -19.6 20.3 4.8 111 136 A V 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