==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 02-APR-12 4EGW . COMPND 2 MOLECULE: MAGNESIUM TRANSPORT PROTEIN CORA; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR A.GUSKOV,N.NORDIN,A.REYNAUD,H.ENGMAN,A.-K.LUNDBACK,A.J.O.JON . 500 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24832.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 389 77.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 10.4 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 . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 37 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 243 48.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 2 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 RESIDUES PER ALPHA HELIX . 0 0 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 3 0 1 2 0 0 2 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 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 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 M 0 0 236 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 67.2 2.6 -28.2 -5.5 2 2 A I - 0 0 141 1,-0.1 2,-0.6 2,-0.0 3,-0.1 -0.128 360.0-130.8 -65.4 160.3 4.4 -31.1 -7.1 3 3 A T - 0 0 57 1,-0.1 34,-0.2 2,-0.1 -1,-0.1 -0.976 23.2-148.0-106.9 110.7 7.9 -32.3 -6.0 4 4 A V - 0 0 73 -2,-0.6 31,-0.2 102,-0.2 -1,-0.1 0.798 21.8-177.5 -57.6 -35.3 9.4 -32.5 -9.5 5 5 A I + 0 0 10 30,-2.2 2,-0.7 1,-0.2 30,-0.2 0.856 2.7 178.9 41.6 70.4 11.7 -35.4 -8.6 6 6 A A E -A 34 0A 51 28,-1.9 28,-2.1 2,-0.0 2,-0.8 -0.888 12.3-162.4-105.8 111.1 13.7 -36.0 -11.8 7 7 A I E -A 33 0A 32 -2,-0.7 2,-0.5 26,-0.2 26,-0.2 -0.825 6.7-172.2 -93.4 112.7 16.3 -38.8 -11.7 8 8 A A E -A 32 0A 16 24,-2.7 24,-2.3 -2,-0.8 2,-0.5 -0.904 4.2-165.4-100.9 134.9 18.8 -38.4 -14.4 9 9 A K E +A 31 0A 56 -2,-0.5 2,-0.4 22,-0.2 22,-0.2 -0.953 12.6 169.5-127.9 112.8 21.2 -41.4 -14.7 10 10 A D E +A 30 0A 32 20,-2.9 20,-5.6 -2,-0.5 2,-0.3 -0.968 1.0 161.5-129.7 137.5 24.4 -41.2 -16.7 11 11 A G E > -A 29 0A 12 4,-0.5 4,-1.0 -2,-0.4 2,-0.5 -0.995 40.3 -63.9-152.0 155.4 27.4 -43.5 -17.0 12 12 A S T 4 S+ 0 0 9 16,-2.0 15,-0.7 1,-0.4 16,-0.1 -0.737 121.3 37.7 -86.5 123.5 30.3 -44.3 -19.3 13 13 A I T 4 S- 0 0 75 -2,-0.5 -1,-0.4 13,-0.2 113,-0.1 -0.093 123.8 -92.8-100.2 106.4 29.9 -45.2 -21.9 14 14 A V T 4 S+ 0 0 42 111,-0.1 -2,-0.2 109,-0.1 -4,-0.1 0.734 71.5 106.7 40.8 70.4 26.9 -42.9 -22.2 15 15 A E < - 0 0 161 -4,-1.0 -4,-0.5 1,-0.0 -1,-0.1 -0.959 45.3-114.5-165.4 174.0 23.4 -44.2 -21.2 16 16 A P + 0 0 82 0, 0.0 -6,-0.1 0, 0.0 -8,-0.1 0.483 48.1 99.3 -71.5-164.6 20.2 -44.5 -18.9 17 17 A K > - 0 0 142 1,-0.1 3,-0.7 4,-0.1 2,-0.1 0.972 36.4-173.9 65.0 72.7 18.1 -46.8 -16.6 18 18 A L T 3 + 0 0 37 1,-0.2 -1,-0.1 -11,-0.1 -9,-0.1 -0.298 66.2 55.0 -72.9 173.3 18.7 -46.5 -12.9 19 19 A D T 3 S+ 0 0 70 2,-0.1 -1,-0.2 24,-0.1 2,-0.1 0.481 114.8 49.2 57.0 12.0 17.0 -48.9 -10.4 20 20 A E S < S+ 0 0 140 -3,-0.7 2,-0.3 2,-0.0 27,-0.0 -0.561 81.4 124.7-143.2 113.6 18.5 -51.7 -12.4 21 21 A I - 0 0 41 -2,-0.1 2,-0.6 26,-0.0 -2,-0.1 -0.939 47.4-141.9-155.0 146.0 22.2 -51.0 -13.0 22 22 A S > - 0 0 55 -2,-0.3 3,-0.7 2,-0.0 4,-0.1 -0.894 22.3-143.5-106.3 116.8 25.4 -53.0 -12.3 23 23 A F T 3 S+ 0 0 56 -2,-0.6 4,-0.1 1,-0.2 5,-0.0 -0.090 84.7 46.6 -69.7 177.2 28.2 -50.8 -11.2 24 24 A E T 3 S+ 0 0 171 2,-0.4 -1,-0.2 1,-0.1 3,-0.1 0.700 86.3 96.5 55.8 19.6 31.7 -51.6 -12.4 25 25 A D S < S+ 0 0 111 -3,-0.7 2,-0.3 1,-0.1 -2,-0.1 0.386 90.8 40.0 -98.9 -4.1 30.1 -52.0 -15.8 26 26 A Y S S- 0 0 60 1,-0.2 -2,-0.4 -4,-0.1 -13,-0.2 -0.976 77.3-125.2-146.6 150.4 31.4 -48.4 -16.2 27 27 A R S S- 0 0 90 -15,-0.7 2,-0.3 -2,-0.3 -1,-0.2 0.988 96.3 -17.3 -52.2 -64.1 34.2 -46.0 -15.5 28 28 A L - 0 0 11 -16,-0.1 -16,-2.0 -3,-0.1 2,-0.3 -0.871 57.8-146.0-136.5 174.3 31.8 -43.7 -13.8 29 29 A I E -Ab 11 100A 5 70,-1.7 72,-2.1 -2,-0.3 2,-0.6 -0.992 8.3-151.7-142.9 135.2 28.1 -42.9 -13.4 30 30 A W E -Ab 10 101A 9 -20,-5.6 -20,-2.9 -2,-0.3 2,-0.6 -0.925 13.5-176.5-110.9 110.8 26.5 -39.5 -12.9 31 31 A I E -Ab 9 102A 2 70,-1.6 72,-2.6 -2,-0.6 2,-0.6 -0.928 3.5-170.1-104.0 119.2 23.2 -39.5 -11.1 32 32 A D E -Ab 8 103A 4 -24,-2.3 -24,-2.7 -2,-0.6 2,-0.7 -0.951 3.1-166.6-107.0 122.7 21.5 -36.1 -10.8 33 33 A C E -Ab 7 104A 0 70,-2.7 72,-2.4 -2,-0.6 2,-0.8 -0.902 2.3-166.3-114.1 109.1 18.6 -36.1 -8.4 34 34 A Y E -Ab 6 105A 45 -28,-2.1 -28,-1.9 -2,-0.7 72,-0.2 -0.826 64.4 -36.5-101.5 109.4 16.4 -33.1 -8.7 35 35 A D S S- 0 0 35 70,-3.0 -30,-2.2 -2,-0.8 -1,-0.2 0.884 80.4-156.6 56.6 55.4 13.9 -32.5 -5.9 36 36 A P - 0 0 11 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.363 19.2-124.2 -73.6 139.7 12.9 -36.2 -5.2 37 37 A K >> - 0 0 94 -34,-0.2 3,-2.0 1,-0.1 4,-1.5 -0.666 38.4-116.0 -74.9 134.0 9.7 -37.5 -3.6 38 38 A D H 3> S+ 0 0 104 -2,-0.3 4,-2.3 1,-0.3 5,-0.2 0.618 116.5 66.1 -65.5 -7.9 11.1 -39.5 -0.7 39 39 A E H 3> S+ 0 0 136 2,-0.2 4,-1.6 1,-0.1 -1,-0.3 0.967 109.1 38.7 -59.5 -55.4 9.7 -42.6 -2.3 40 40 A E H <> S+ 0 0 61 -3,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.768 116.6 53.2 -66.4 -30.5 12.2 -41.9 -5.1 41 41 A L H X S+ 0 0 4 -4,-1.5 4,-2.4 2,-0.2 3,-0.4 0.950 105.0 50.9 -73.0 -50.0 14.9 -40.8 -2.6 42 42 A Y H X S+ 0 0 130 -4,-2.3 4,-2.7 1,-0.3 -2,-0.2 0.900 108.7 53.7 -54.5 -43.3 14.8 -43.9 -0.4 43 43 A K H X S+ 0 0 105 -4,-1.6 4,-2.7 1,-0.2 -1,-0.3 0.889 108.8 51.6 -53.5 -40.6 15.1 -46.0 -3.5 44 44 A L H X S+ 0 0 4 -4,-1.0 4,-3.0 -3,-0.4 5,-0.3 0.924 108.8 46.6 -68.2 -48.8 18.2 -44.0 -4.3 45 45 A S H X>S+ 0 0 10 -4,-2.4 4,-3.3 2,-0.2 5,-0.8 0.951 112.4 53.6 -54.8 -48.7 19.9 -44.4 -0.9 46 46 A K H <5S+ 0 0 141 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.947 112.9 41.5 -51.9 -56.3 19.1 -48.1 -1.1 47 47 A K H <5S+ 0 0 54 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.881 126.1 33.9 -61.9 -44.3 20.8 -48.4 -4.5 48 48 A I H <5S- 0 0 3 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.534 101.9-133.4 -91.8 -8.7 23.8 -46.2 -3.7 49 49 A G T <5 + 0 0 39 -4,-3.3 2,-0.4 -5,-0.3 -3,-0.2 0.854 54.5 140.9 62.7 36.3 23.9 -47.3 -0.1 50 50 A I < - 0 0 5 -5,-0.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.925 66.6 -94.1-104.2 138.4 24.2 -43.9 1.4 51 51 A S >> - 0 0 57 -2,-0.4 4,-1.4 1,-0.2 3,-0.8 -0.293 30.8-126.9 -55.3 127.2 22.3 -43.3 4.7 52 52 A V H 3> S+ 0 0 47 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.781 113.6 53.6 -49.8 -31.5 18.9 -41.8 3.7 53 53 A S H >> S+ 0 0 76 1,-0.2 3,-1.1 2,-0.2 4,-0.7 0.940 102.6 55.6 -61.7 -51.7 19.8 -39.1 6.2 54 54 A D H <> S+ 0 0 24 -3,-0.8 4,-0.5 1,-0.3 3,-0.3 0.745 105.5 52.3 -58.4 -26.8 23.2 -38.4 4.6 55 55 A L H >X S+ 0 0 0 -4,-1.4 4,-0.9 1,-0.2 3,-0.6 0.770 95.6 69.3 -79.4 -25.7 21.5 -37.7 1.3 56 56 A Q H << S+ 0 0 100 -3,-1.1 4,-0.3 -4,-0.8 -1,-0.2 0.739 86.5 67.8 -65.9 -22.4 19.2 -35.2 3.0 57 57 A I H >< S+ 0 0 28 -4,-0.7 3,-1.9 -3,-0.3 -1,-0.3 0.970 98.1 53.6 -53.5 -51.7 22.2 -33.0 3.4 58 58 A G H << S+ 0 0 0 -3,-0.6 35,-0.7 -4,-0.5 48,-0.4 0.802 103.7 53.3 -55.9 -36.5 22.2 -32.6 -0.3 59 59 A L T 3< S+ 0 0 28 -4,-0.9 2,-0.7 46,-0.2 -1,-0.3 0.386 83.3 100.2 -85.4 2.8 18.6 -31.5 -0.6 60 60 A D X - 0 0 65 -3,-1.9 3,-0.6 -4,-0.3 30,-0.0 -0.831 52.4-171.6 -90.3 115.3 19.1 -28.7 1.9 61 61 A E T 3 S+ 0 0 70 -2,-0.7 30,-1.2 1,-0.2 -1,-0.1 0.493 82.1 62.2 -90.3 -3.5 19.4 -25.6 -0.1 62 62 A Q T 3 S+ 0 0 163 28,-0.1 -1,-0.2 29,-0.1 -2,-0.0 0.608 78.2 124.3 -87.1 -13.6 20.4 -23.5 2.9 63 63 A E < - 0 0 45 -3,-0.6 29,-0.1 -6,-0.2 3,-0.1 -0.124 66.5-120.8 -53.1 133.6 23.5 -25.7 3.4 64 64 A I - 0 0 98 1,-0.1 13,-0.1 27,-0.1 -1,-0.1 -0.621 34.5-107.8 -74.5 126.1 26.8 -23.9 3.5 65 65 A P + 0 0 7 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.213 62.6 131.9 -50.6 143.4 29.1 -25.1 0.7 66 66 A R E -C 77 0A 58 11,-0.9 11,-2.2 130,-0.1 2,-0.5 -0.956 55.4-105.0-170.5 178.9 31.9 -27.2 2.1 67 67 A V E -C 76 0A 37 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.994 33.1-169.5-119.4 127.6 33.8 -30.4 1.7 68 68 A E E -C 75 0A 74 7,-2.3 7,-1.5 -2,-0.5 2,-0.1 -0.897 18.2-120.5-115.4 147.7 33.0 -33.2 4.2 69 69 A E - 0 0 133 -2,-0.4 5,-0.1 1,-0.2 -1,-0.0 -0.278 44.9 -49.5 -91.4 177.2 35.0 -36.4 4.6 70 70 A D + 0 0 78 1,-0.1 2,-0.3 2,-0.1 -1,-0.2 -0.051 41.9 153.8 -57.1 123.6 34.1 -40.0 4.4 71 71 A E S S- 0 0 95 2,-0.5 -1,-0.1 -17,-0.0 3,-0.0 -0.817 106.5 -46.6-116.1 101.6 31.4 -41.9 5.9 72 72 A D S S+ 0 0 91 -2,-0.3 2,-0.3 -22,-0.1 -2,-0.1 0.652 132.9 29.2 54.7 21.6 31.6 -44.3 3.0 73 73 A F S S- 0 0 7 24,-0.1 -2,-0.5 2,-0.0 2,-0.3 -0.985 81.7 -93.2 175.8 170.9 31.7 -41.4 0.4 74 74 A Y E - 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