==== 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 26-MAR-09 3GSD . COMPND 2 MOLECULE: DIVALENT-CATION TOLERANCE PROTEIN CUTA; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS CO92; . AUTHOR G.MINASOV,Z.WAWRZAK,T.SKARINA,O.ONOPRIYENKO,S.N.PETERSON,A.S . 1258 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48417.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 969 77.0 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 . 432 34.3 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 . 12 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 . 82 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 326 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.0 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 2 20 2 0 12 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 . 0 12 0 24 0 0 0 12 0 0 0 12 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 0 0 0 0 0 0 0 0 0 4 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 15 A Y 0 0 141 0, 0.0 89,-0.2 0, 0.0 90,-0.2 0.000 360.0 360.0 360.0 145.5 30.3 65.5 12.8 2 16 A S - 0 0 21 87,-1.4 87,-0.3 2,-0.1 89,-0.1 -0.297 360.0-119.4 -81.7 176.3 29.7 64.3 16.3 3 17 A N S S+ 0 0 53 85,-0.1 60,-2.7 -2,-0.1 61,-0.2 0.403 78.3 110.3 -97.6 -0.1 30.3 66.6 19.3 4 18 A A E -A 62 0A 0 58,-0.3 85,-0.9 85,-0.2 2,-0.3 -0.385 47.1-170.7 -73.0 154.3 33.0 64.3 20.8 5 19 A I E -AB 61 88A 0 56,-2.7 56,-2.4 83,-0.2 2,-0.5 -0.957 19.2-145.2-140.6 158.7 36.6 65.5 20.8 6 20 A V E -AB 60 87A 0 81,-2.0 81,-3.1 -2,-0.3 2,-0.6 -0.985 18.3-156.8-127.1 115.9 40.0 64.0 21.7 7 21 A V E -AB 59 86A 0 52,-3.0 52,-2.8 -2,-0.5 2,-0.4 -0.859 4.9-148.8-100.9 123.5 42.5 66.3 23.2 8 22 A L E +AB 58 85A 6 77,-3.1 77,-1.9 -2,-0.6 2,-0.3 -0.719 28.6 153.5 -88.6 141.1 46.2 65.6 23.0 9 23 A C E -A 57 0A 0 48,-1.5 48,-3.6 -2,-0.4 2,-0.3 -0.961 27.7-142.2-158.7 155.0 48.5 66.7 25.7 10 24 A T E -A 56 0A 6 73,-0.4 73,-0.3 -2,-0.3 46,-0.2 -0.948 9.5-166.0-126.8 152.7 51.9 65.5 27.1 11 25 A A E -A 55 0A 1 44,-1.9 44,-2.8 -2,-0.3 3,-0.1 -0.927 29.8-120.9-131.7 155.0 53.2 65.3 30.7 12 26 A P S S- 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.805 88.6 -2.3 -69.6 -27.6 56.8 64.8 31.9 13 27 A D S > S- 0 0 81 42,-0.1 4,-1.9 1,-0.1 42,-0.1 -0.948 73.8 -98.2-156.2 171.6 56.0 61.6 33.8 14 28 A E H > S+ 0 0 89 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.864 115.0 57.9 -65.3 -38.2 53.3 59.1 34.9 15 29 A A H > S+ 0 0 55 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.946 111.9 39.8 -58.3 -51.2 52.9 60.7 38.4 16 30 A S H > S+ 0 0 23 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.860 114.9 54.1 -67.4 -36.6 52.0 64.1 37.0 17 31 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.930 111.0 45.8 -61.4 -46.8 49.9 62.6 34.2 18 32 A Q H X S+ 0 0 50 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.898 111.6 50.9 -63.6 -43.3 47.8 60.6 36.7 19 33 A N H X S+ 0 0 107 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.938 112.2 46.6 -61.3 -47.3 47.3 63.5 39.0 20 34 A L H X S+ 0 0 4 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.893 112.1 50.7 -60.5 -42.4 46.1 65.7 36.1 21 35 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.929 110.5 49.4 -62.5 -44.7 43.8 63.0 34.8 22 36 A A H X S+ 0 0 35 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.899 111.9 48.2 -62.0 -43.9 42.3 62.5 38.3 23 37 A Q H X S+ 0 0 85 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.957 112.5 47.9 -61.1 -51.2 41.7 66.2 38.7 24 38 A V H <>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 6,-0.4 0.894 114.0 47.0 -56.1 -43.9 40.1 66.6 35.3 25 39 A L H ><5S+ 0 0 4 -4,-2.4 3,-1.2 3,-0.2 -1,-0.2 0.890 108.8 53.6 -68.6 -40.5 37.8 63.6 35.9 26 40 A G H 3<5S+ 0 0 45 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.870 110.2 48.4 -60.3 -36.7 36.8 64.8 39.4 27 41 A E T 3<5S- 0 0 97 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.475 112.5-127.1 -79.2 -5.7 35.8 68.1 37.7 28 42 A K T < 5 + 0 0 85 -3,-1.2 77,-2.4 -4,-0.2 -3,-0.2 0.830 69.3 132.5 61.2 37.3 33.9 66.1 35.1 29 43 A L S S-C 48 0A 100 3,-2.4 3,-1.9 -2,-0.4 -2,-0.1 -0.981 71.1 -16.8-136.5 120.9 63.3 74.7 22.9 46 60 A E T 3 S- 0 0 173 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.879 130.4 -49.3 50.4 44.5 65.2 78.0 23.2 47 61 A G T 3 S+ 0 0 64 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.328 117.3 103.4 83.8 -7.1 67.4 77.1 20.3 48 62 A K E < S- C 0 45A 147 -3,-1.9 -3,-2.4 -5,-0.0 2,-0.7 -0.903 71.4-122.5-113.7 140.1 68.4 73.6 21.3 49 63 A L E - C 0 44A 68 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.674 35.8-166.7 -77.7 114.0 67.1 70.2 20.1 50 64 A E E - C 0 43A 69 -7,-3.3 -7,-1.6 -2,-0.7 2,-0.4 -0.715 17.3-166.7-103.8 151.9 65.8 68.3 23.1 51 65 A Q E + C 0 42A 94 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.905 24.7 166.1-138.3 105.7 64.8 64.6 23.3 52 66 A E E - C 0 41A 92 -11,-2.6 -11,-3.2 -2,-0.4 2,-0.3 -0.919 38.8-112.9-128.3 150.2 62.8 63.8 26.4 53 67 A Y E + C 0 40A 176 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.3 -0.584 46.8 163.9 -75.6 139.0 60.7 61.1 27.8 54 68 A E E - C 0 39A 11 -15,-2.4 -15,-1.9 -2,-0.3 2,-0.5 -0.941 39.6-116.8-148.6 167.9 57.0 62.0 28.2 55 69 A V E -A 11 0A 3 -44,-2.8 -44,-1.9 -2,-0.3 2,-0.6 -0.950 26.5-143.9-108.1 128.4 53.6 60.6 28.7 56 70 A Q E -AC 10 36A 0 -20,-2.4 -20,-2.6 -2,-0.5 2,-0.3 -0.859 21.1-160.1 -92.9 121.5 51.2 61.2 25.7 57 71 A L E -AC 9 35A 0 -48,-3.6 -48,-1.5 -2,-0.6 2,-0.5 -0.807 14.0-161.2-104.4 150.3 47.7 61.8 27.0 58 72 A L E -AC 8 34A 15 -24,-2.3 -24,-2.6 -2,-0.3 2,-0.7 -0.964 6.8-163.5-128.1 108.9 44.4 61.5 25.2 59 73 A F E -AC 7 33A 0 -52,-2.8 -52,-3.0 -2,-0.5 2,-0.7 -0.870 7.9-155.4 -95.0 117.4 41.4 63.3 26.9 60 74 A K E +AC 6 32A 0 -28,-2.9 -29,-2.8 -2,-0.7 -28,-1.2 -0.851 39.9 125.4 -97.4 115.7 38.1 62.0 25.5 61 75 A S E -A 5 0A 0 -56,-2.4 -56,-2.7 -2,-0.7 2,-0.3 -0.651 50.2 -97.7-147.0-162.8 35.5 64.7 25.9 62 76 A N E > -A 4 0A 7 -58,-0.3 3,-1.5 -33,-0.2 4,-0.3 -0.893 31.0-105.9-133.1 167.7 32.9 66.8 24.0 63 77 A T G > S+ 0 0 44 -60,-2.7 3,-1.0 -2,-0.3 4,-0.4 0.814 113.7 63.7 -61.3 -33.1 32.6 70.3 22.5 64 78 A D G 3 S+ 0 0 137 1,-0.2 -1,-0.3 -61,-0.2 4,-0.1 0.666 114.3 33.3 -64.6 -18.0 30.3 71.6 25.2 65 79 A H G <> S+ 0 0 27 -3,-1.5 4,-2.3 2,-0.1 -1,-0.2 0.268 90.0 106.5-119.0 7.8 33.2 71.1 27.7 66 80 A Q H <> S+ 0 0 18 -3,-1.0 4,-2.4 -4,-0.3 5,-0.2 0.928 81.5 39.8 -55.9 -58.4 36.1 71.8 25.4 67 81 A Q H > S+ 0 0 114 -4,-0.4 4,-2.8 1,-0.2 5,-0.3 0.915 114.9 53.1 -62.1 -42.5 37.1 75.3 26.7 68 82 A A H > S+ 0 0 50 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.910 111.4 47.8 -58.6 -41.4 36.6 74.4 30.3 69 83 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.953 113.0 46.5 -63.5 -50.8 38.9 71.3 29.8 70 84 A L H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.883 114.4 48.1 -59.3 -43.4 41.6 73.3 28.0 71 85 A T H X S+ 0 0 69 -4,-2.8 4,-1.6 -5,-0.2 -1,-0.2 0.917 111.8 49.6 -65.9 -43.8 41.6 76.0 30.6 72 86 A Y H X S+ 0 0 34 -4,-2.4 4,-0.5 -5,-0.3 3,-0.4 0.952 112.8 45.3 -61.6 -51.6 41.7 73.5 33.5 73 87 A I H >< S+ 0 0 0 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.941 110.3 55.5 -57.6 -46.4 44.7 71.6 32.1 74 88 A K H 3< S+ 0 0 30 -4,-2.4 3,-0.5 1,-0.3 -1,-0.2 0.831 112.4 43.0 -54.6 -34.8 46.5 74.8 31.3 75 89 A Q H 3< S+ 0 0 137 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.377 118.8 43.7 -95.2 1.6 46.1 75.9 34.9 76 90 A H S << S+ 0 0 75 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.2 -0.191 87.8 109.7-137.3 45.9 47.0 72.5 36.4 77 91 A H - 0 0 25 -3,-0.5 -66,-0.1 2,-0.2 -60,-0.0 -0.930 67.0-132.8-125.8 144.1 50.0 71.3 34.4 78 92 A P S S+ 0 0 78 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.837 92.3 70.3 -61.3 -32.3 53.7 71.0 35.3 79 93 A Y S S- 0 0 70 1,-0.1 -2,-0.2 4,-0.1 -3,-0.1 -0.578 76.6-141.0 -86.9 151.0 54.6 72.8 32.1 80 94 A Q S S+ 0 0 170 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.1 0.888 102.6 29.6 -72.5 -40.4 54.0 76.5 31.5 81 95 A T S S- 0 0 35 226,-0.1 -1,-0.3 227,-0.1 2,-0.1 -0.733 85.7-173.9-121.2 78.1 53.1 75.9 27.9 82 96 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 226,-0.2 -0.411 34.4-100.2 -75.2 153.4 51.6 72.4 27.7 83 97 A E + 0 0 6 -73,-0.3 -73,-0.4 -2,-0.1 2,-0.3 -0.545 46.8 172.4 -65.4 127.7 50.6 70.8 24.4 84 98 A L + 0 0 0 -2,-0.3 221,-1.5 221,-0.2 2,-0.4 -0.812 4.7 160.7-145.7 99.6 46.9 71.2 24.0 85 99 A L E -BF 8 304A 0 -77,-1.9 -77,-3.1 -2,-0.3 2,-0.6 -0.986 26.8-147.2-128.3 123.7 45.4 70.1 20.6 86 100 A V E -BF 7 303A 0 217,-3.1 216,-2.3 -2,-0.4 217,-1.0 -0.797 10.1-160.5 -96.2 118.2 41.8 69.3 20.0 87 101 A L E -B 6 0A 8 -81,-3.1 -81,-2.0 -2,-0.6 214,-0.2 -0.817 17.8-129.0 -94.8 132.4 41.1 66.6 17.4 88 102 A P E -B 5 0A 2 0, 0.0 2,-0.5 0, 0.0 -83,-0.2 -0.453 12.0-141.0 -76.5 157.5 37.6 66.5 16.0 89 103 A V - 0 0 0 -85,-0.9 -87,-1.4 -87,-0.3 104,-0.2 -0.987 8.6-165.6-119.0 118.7 35.6 63.2 15.9 90 104 A R - 0 0 44 102,-2.5 2,-0.3 -2,-0.5 103,-0.1 0.845 69.7 -17.9 -75.9 -32.8 33.5 62.7 12.8 91 105 A D E -G 192 0A 64 101,-0.9 101,-3.1 -90,-0.2 2,-0.3 -0.975 60.1-174.0-162.2 168.9 31.4 59.9 14.2 92 106 A G E -G 191 0A 7 -2,-0.3 2,-0.3 99,-0.2 99,-0.2 -0.978 43.1 -70.2-162.1 167.9 31.2 57.3 17.0 93 107 A D > - 0 0 22 97,-1.6 4,-2.8 -2,-0.3 5,-0.3 -0.540 44.2-131.9 -66.9 129.6 29.3 54.4 18.4 94 108 A K H > S+ 0 0 164 -2,-0.3 4,-2.2 1,-0.2 -1,-0.1 0.877 104.1 47.7 -46.9 -51.4 25.9 55.7 19.7 95 109 A D H > S+ 0 0 82 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.873 113.0 47.6 -65.1 -39.6 26.2 53.8 23.0 96 110 A Y H > S+ 0 0 9 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.946 112.7 48.2 -67.5 -45.4 29.7 55.0 23.7 97 111 A L H X S+ 0 0 20 -4,-2.8 4,-3.2 1,-0.2 5,-0.2 0.884 109.1 55.5 -60.1 -38.6 28.9 58.6 22.8 98 112 A S H X S+ 0 0 73 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.921 111.3 43.0 -57.4 -48.1 25.9 58.4 25.1 99 113 A W H X S+ 0 0 55 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.905 114.0 51.2 -66.3 -43.9 28.1 57.3 28.0 100 114 A L H >X S+ 0 0 0 -4,-2.9 4,-0.7 2,-0.2 3,-0.5 0.949 113.1 45.2 -59.0 -49.0 30.7 59.9 27.2 101 115 A N H >< S+ 0 0 56 -4,-3.2 3,-1.0 1,-0.2 -2,-0.2 0.917 111.7 51.7 -61.5 -45.1 28.1 62.7 27.1 102 116 A A H 3< S+ 0 0 81 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.717 102.1 62.0 -65.7 -22.2 26.4 61.5 30.3 103 117 A S H << S+ 0 0 25 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.710 89.2 91.5 -76.5 -22.1 29.7 61.5 32.2 104 118 A L << 0 0 11 -3,-1.0 -75,-0.2 -4,-0.7 -76,-0.1 -0.349 360.0 360.0 -84.0 157.2 30.4 65.2 31.8 105 119 A L 0 0 156 -77,-2.4 -1,-0.2 -78,-0.2 -2,-0.1 -0.140 360.0 360.0 -50.4 360.0 29.4 68.2 34.0 106 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 107 15 B Y 0 0 141 0, 0.0 89,-0.2 0, 0.0 90,-0.2 0.000 360.0 360.0 360.0 139.7 39.7 65.7 3.0 108 16 B S - 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