==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 19-JUN-07 2QCP . COMPND 2 MOLECULE: CATION EFFLUX SYSTEM PROTEIN CUSF; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI STR. K12 SUBSTR.; . AUTHOR I.R.LOFTIN . 80 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5709.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 54 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 42.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 2.5 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 . 1 1.2 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 . 8 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.5 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 . 1 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 0 0 0 3 0 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 . 0 0 0 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 9 X M > 0 0 193 0, 0.0 3,-1.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-167.7 -12.7 6.1 4.5 2 10 X E T 3 + 0 0 174 1,-0.3 0, 0.0 0, 0.0 0, 0.0 0.842 360.0 41.0 -54.0 -50.7 -13.8 7.6 7.8 3 11 X A T 3 S+ 0 0 104 2,-0.0 -1,-0.3 0, 0.0 0, 0.0 0.590 91.4 105.9 -77.2 -10.5 -12.7 4.9 10.3 4 12 X Q S < S- 0 0 140 -3,-1.5 63,-0.1 1,-0.1 0, 0.0 -0.422 77.3-103.3 -74.9 148.6 -9.3 4.3 8.6 5 13 X P - 0 0 47 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.237 34.9-108.3 -70.7 156.0 -6.2 5.6 10.3 6 14 X Q - 0 0 171 1,-0.1 2,-0.5 60,-0.1 60,-0.4 -0.429 33.0-103.9 -79.9 155.7 -4.3 8.7 9.0 7 15 X V - 0 0 86 58,-0.1 2,-0.5 -2,-0.1 58,-0.2 -0.715 34.3-158.7 -88.2 123.0 -0.9 8.6 7.2 8 16 X I E -A 64 0A 15 56,-3.2 56,-2.3 -2,-0.5 2,-0.3 -0.884 2.7-150.0-107.8 130.7 1.9 9.7 9.5 9 17 X S E +A 63 0A 83 -2,-0.5 2,-0.3 54,-0.2 54,-0.2 -0.766 25.3 155.7-102.1 146.2 5.3 10.9 8.0 10 18 X A E -A 62 0A 13 52,-2.7 52,-2.6 -2,-0.3 2,-0.3 -0.957 29.1-139.3-156.1 170.1 8.6 10.5 9.7 11 19 X T E +A 61 0A 55 -2,-0.3 18,-2.6 50,-0.2 2,-0.3 -0.962 35.2 129.9-136.4 151.1 12.4 10.3 9.2 12 20 X G E -AB 60 28A 6 48,-2.3 48,-3.1 -2,-0.3 2,-0.4 -0.967 50.7 -81.9-173.5-170.6 15.0 8.0 10.8 13 21 X V E -AB 59 27A 55 14,-2.2 14,-2.8 -2,-0.3 2,-0.5 -0.971 40.7-118.8-118.6 134.9 17.9 5.6 10.5 14 22 X V E - B 0 26A 0 44,-3.0 43,-2.8 -2,-0.4 12,-0.2 -0.572 27.3-179.2 -75.9 119.8 17.4 1.9 9.7 15 23 X K E - 0 0 119 10,-2.8 2,-0.3 -2,-0.5 11,-0.2 0.706 68.4 -17.2 -88.0 -26.4 18.7 -0.2 12.6 16 24 X G E - B 0 25A 22 9,-1.3 9,-2.4 39,-0.1 -1,-0.4 -0.946 56.4-157.4-172.8 157.9 17.8 -3.5 10.9 17 25 X I E + B 0 24A 48 -2,-0.3 2,-0.4 7,-0.2 7,-0.2 -0.983 8.8 179.8-149.0 137.8 15.7 -5.1 8.2 18 26 X D E >> - B 0 23A 74 5,-2.9 5,-2.2 -2,-0.3 4,-0.8 -0.874 2.5-176.6-139.0 94.9 14.4 -8.6 7.6 19 27 X L T 45S+ 0 0 106 -2,-0.4 3,-0.2 3,-0.2 -1,-0.1 0.841 82.2 61.8 -63.0 -31.6 12.3 -8.7 4.4 20 28 X E T 45S+ 0 0 158 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.909 115.0 30.5 -63.0 -44.0 11.5 -12.4 5.1 21 29 X S T 45S- 0 0 41 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.406 112.2-118.6-100.2 6.0 9.6 -11.7 8.3 22 30 X K T <5 + 0 0 103 -4,-0.8 23,-2.5 1,-0.2 2,-0.4 0.790 64.5 143.5 70.0 31.2 8.5 -8.2 7.1 23 31 X K E < +BC 18 44A 128 -5,-2.2 -5,-2.9 21,-0.2 2,-0.4 -0.866 26.4 172.8-111.0 133.8 10.3 -6.3 9.8 24 32 X I E -BC 17 43A 1 19,-2.2 19,-2.9 -2,-0.4 2,-0.5 -0.972 17.0-155.3-133.6 126.0 12.2 -2.9 9.7 25 33 X T E -BC 16 42A 46 -9,-2.4 -10,-2.8 -2,-0.4 -9,-1.3 -0.891 17.6-173.5 -98.0 126.2 13.5 -1.3 12.9 26 34 X I E -BC 14 41A 0 15,-2.5 15,-2.2 -2,-0.5 2,-0.9 -0.987 25.4-148.5-128.6 127.4 13.9 2.4 12.6 27 35 X H E -BC 13 40A 62 -14,-2.8 -14,-2.2 -2,-0.4 13,-0.3 -0.862 40.0-171.7 -88.1 102.3 15.4 5.0 15.0 28 36 X H E -BC 12 39A 0 11,-2.8 11,-1.7 -2,-0.9 -16,-0.3 -0.653 24.3-113.7-106.3 156.5 13.2 7.9 14.1 29 37 X D - 0 0 87 -18,-2.6 -18,-0.1 -2,-0.2 -1,-0.1 -0.267 61.1 -62.1 -73.6 166.5 13.0 11.6 14.9 30 38 X P - 0 0 89 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.195 46.3-152.4 -53.6 147.2 10.1 13.0 17.0 31 39 X I B > > -G 36 0B 7 5,-2.5 5,-2.4 1,-0.1 3,-0.8 -0.926 9.7-171.9-126.9 103.8 6.6 12.7 15.4 32 40 X A G > 5S+ 0 0 98 -2,-0.5 3,-1.2 1,-0.2 -1,-0.1 0.857 78.9 69.2 -63.7 -36.2 4.2 15.4 16.6 33 41 X A G 3 5S+ 0 0 85 1,-0.3 -1,-0.2 -24,-0.2 -25,-0.0 0.801 116.5 23.6 -58.1 -32.0 1.1 13.9 14.9 34 42 X V G < 5S- 0 0 47 -3,-0.8 -1,-0.3 2,-0.1 -2,-0.2 0.229 110.4-113.1-117.0 12.0 1.1 10.9 17.4 35 43 X N T < 5 + 0 0 147 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.890 63.1 152.9 56.7 46.2 3.0 12.7 20.3 36 44 X W B < -G 31 0B 53 -5,-2.4 -5,-2.5 -7,-0.1 -1,-0.2 -0.860 33.7-148.9-106.2 136.1 6.1 10.4 19.9 37 45 X P - 0 0 86 0, 0.0 -9,-0.1 0, 0.0 -6,-0.1 -0.202 55.4 -53.7 -76.7-178.7 9.6 11.5 20.9 38 46 X E S S+ 0 0 113 -8,-0.1 2,-0.3 -11,-0.1 -9,-0.2 -0.461 81.1 162.7 -53.6 133.7 12.7 10.3 19.2 39 47 X M E -C 28 0A 51 -11,-1.7 -11,-2.8 -3,-0.1 2,-0.5 -0.990 45.5-123.8-155.5 151.0 12.3 6.5 19.4 40 48 X T E +C 27 0A 75 -2,-0.3 2,-0.3 -13,-0.3 -13,-0.3 -0.895 46.5 174.3 -98.5 133.3 13.5 3.2 18.0 41 49 X M E -C 26 0A 43 -15,-2.2 -15,-2.5 -2,-0.5 2,-0.5 -0.996 36.7-114.2-148.8 148.1 10.5 1.2 16.7 42 50 X R E -C 25 0A 205 -2,-0.3 29,-0.4 -17,-0.2 2,-0.3 -0.647 33.8-171.6 -80.4 120.7 9.4 -1.8 14.9 43 51 X F E -C 24 0A 3 -19,-2.9 -19,-2.2 -2,-0.5 2,-0.5 -0.814 14.5-133.7-112.1 156.7 7.7 -1.1 11.6 44 52 X T E -Cd 23 72A 33 27,-2.8 29,-2.8 -2,-0.3 2,-0.4 -0.916 5.7-144.2-119.9 127.1 5.9 -3.6 9.4 45 53 X I - 0 0 15 -23,-2.5 29,-0.1 -2,-0.5 27,-0.0 -0.736 19.2-167.3 -85.5 133.7 6.3 -4.1 5.6 46 54 X T > - 0 0 32 27,-0.4 3,-1.4 -2,-0.4 -24,-0.0 -0.781 39.2-103.8-110.9 165.7 3.0 -5.1 3.8 47 55 X P T 3 S+ 0 0 143 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.753 124.3 49.5 -62.1 -20.0 2.7 -6.3 0.2 48 56 X Q T 3 S+ 0 0 177 25,-0.1 2,-0.1 2,-0.1 -3,-0.0 0.498 77.2 120.7 -91.7 -14.5 1.5 -2.8 -0.7 49 57 X T < - 0 0 13 -3,-1.4 2,-1.0 1,-0.1 26,-0.3 -0.358 67.2-129.3 -55.3 127.8 4.3 -0.8 1.0 50 58 X K E -e 75 0A 168 24,-2.7 26,-2.1 -2,-0.1 2,-0.3 -0.687 41.3-179.2 -82.5 103.8 5.9 1.3 -1.7 51 59 X M E -e 76 0A 68 -2,-1.0 2,-0.3 24,-0.2 26,-0.2 -0.720 26.8-171.2-107.5 154.1 9.6 0.5 -1.3 52 60 X S - 0 0 61 24,-0.8 2,-0.3 -2,-0.3 23,-0.0 -0.726 60.1 -58.5-115.0 178.2 13.0 1.4 -2.7 53 61 X E + 0 0 174 -2,-0.3 25,-0.3 25,-0.0 2,-0.3 -0.496 63.8 178.9 -64.1 125.3 16.2 -0.4 -1.9 54 62 X I + 0 0 15 -2,-0.3 2,-0.3 23,-0.1 6,-0.0 -0.949 4.3 178.2-127.1 136.2 16.7 -0.0 1.9 55 63 X K > - 0 0 132 -2,-0.3 3,-2.2 -39,-0.0 -41,-0.3 -0.966 42.0 -77.7-136.7 160.2 19.6 -1.4 3.9 56 64 X T T 3 S+ 0 0 83 -2,-0.3 -41,-0.2 1,-0.3 3,-0.1 -0.293 117.1 28.0 -50.9 132.3 20.8 -1.3 7.5 57 65 X G T 3 S+ 0 0 53 -43,-2.8 -1,-0.3 1,-0.3 2,-0.2 0.217 88.8 131.6 99.3 -14.2 22.4 2.0 8.3 58 66 X D < - 0 0 27 -3,-2.2 -44,-3.0 -45,-0.1 2,-0.4 -0.501 57.6-128.1 -74.3 141.6 20.5 4.1 5.8 59 67 X K E -A 13 0A 90 -46,-0.2 20,-2.4 20,-0.2 2,-0.3 -0.735 40.5-172.5 -78.2 134.4 18.8 7.3 6.6 60 68 X V E -AF 12 78A 0 -48,-3.1 -48,-2.3 -2,-0.4 2,-0.4 -0.935 30.8-146.5-135.9 154.1 15.2 7.1 5.4 61 69 X A E +AF 11 77A 39 16,-2.6 16,-1.9 -2,-0.3 2,-0.3 -0.953 37.4 164.9-110.2 136.1 12.0 9.1 4.9 62 70 X F E -AF 10 76A 4 -52,-2.6 -52,-2.7 -2,-0.4 2,-0.3 -0.971 31.2-145.3-153.1 161.4 8.8 7.0 5.4 63 71 X N E +AF 9 75A 33 12,-2.1 11,-3.1 -2,-0.3 12,-1.5 -0.982 25.6 168.1-125.2 148.0 5.0 7.1 5.9 64 72 X F E -AF 8 73A 0 -56,-2.3 -56,-3.2 -2,-0.3 2,-0.3 -0.952 24.9-138.8-150.8 165.4 3.0 4.6 8.1 65 73 X V E - F 0 72A 12 7,-2.1 7,-2.6 -2,-0.3 2,-0.7 -0.956 21.9-126.9-123.6 150.4 -0.4 4.1 9.6 66 74 X Q E + F 0 71A 63 -60,-0.4 2,-0.5 -2,-0.3 5,-0.2 -0.870 30.2 176.0 -98.1 117.5 -1.1 2.7 13.1 67 75 X Q E > - F 0 70A 108 3,-2.6 3,-2.2 -2,-0.7 2,-0.1 -0.942 61.1 -59.7-128.8 105.2 -3.4 -0.2 12.8 68 76 X G T 3 S- 0 0 55 -2,-0.5 -1,-0.0 1,-0.3 0, 0.0 -0.348 119.9 -13.7 53.1-121.2 -4.0 -1.8 16.2 69 77 X N T 3 S+ 0 0 167 -3,-0.1 2,-0.4 -2,-0.1 -1,-0.3 0.282 122.4 83.4 -94.6 11.5 -0.6 -3.0 17.5 70 78 X L E < - F 0 67A 92 -3,-2.2 -3,-2.6 2,-0.0 2,-0.8 -0.922 65.1-146.5-116.3 146.7 1.2 -2.7 14.2 71 79 X S E - F 0 66A 3 -29,-0.4 -27,-2.8 -2,-0.4 2,-0.6 -0.888 27.9-157.0-105.0 99.7 2.9 0.4 12.5 72 80 X L E -dF 44 65A 37 -7,-2.6 -7,-2.1 -2,-0.8 2,-0.2 -0.699 9.8-132.1 -88.0 117.0 2.2 -0.5 8.8 73 81 X L E - F 0 64A 0 -29,-2.8 -27,-0.4 -2,-0.6 -9,-0.3 -0.460 21.3-176.8 -67.5 135.2 4.6 1.2 6.4 74 82 X Q E S- 0 0 72 -11,-3.1 -24,-2.7 1,-0.4 2,-0.3 0.776 71.8 -14.3 -94.6 -35.7 2.9 2.9 3.4 75 83 X D E -eF 50 63A 49 -12,-1.5 -12,-2.1 -26,-0.3 -1,-0.4 -0.974 58.7-172.8-164.1 156.7 6.2 3.9 1.7 76 84 X I E +eF 51 62A 4 -26,-2.1 -24,-0.8 -2,-0.3 2,-0.3 -0.973 9.7 163.5-158.0 142.8 9.9 4.2 2.5 77 85 X K E - F 0 61A 126 -16,-1.9 -16,-2.6 -2,-0.3 -23,-0.1 -0.980 44.3 -90.1-154.5 152.1 13.0 5.6 0.6 78 86 X V E - F 0 60A 75 -25,-0.3 -18,-0.3 -2,-0.3 2,-0.3 -0.315 51.8-171.5 -57.1 145.3 16.6 6.7 1.4 79 87 X S 0 0 41 -20,-2.4 -20,-0.2 -67,-0.2 -1,-0.0 -0.949 360.0 360.0-142.2 165.4 16.8 10.3 2.3 80 88 X Q 0 0 206 -2,-0.3 -20,-0.0 0, 0.0 0, 0.0 -0.324 360.0 360.0 -66.6 360.0 19.2 13.2 3.0