==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 27-SEP-04 1XK8 . COMPND 2 MOLECULE: DIVALENT CATION TOLERANT PROTEIN CUTA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.TEMPEL,L.CHEN,Z.-J.LIU,D.LEE,A.SHAH,T.A.DAILEY,M.R.MAYER, . 643 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24216.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 526 81.8 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 . 221 34.4 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 . 6 0.9 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 . 67 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 7 0 5 0 6 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 6 0 6 6 0 0 6 0 0 1 5 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 2 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 40 A Y 0 0 87 0, 0.0 93,-0.0 0, 0.0 95,-0.0 0.000 360.0 360.0 360.0 126.0 -0.5 60.2 56.3 2 41 A V > - 0 0 27 1,-0.1 3,-1.9 632,-0.0 4,-0.3 -0.732 360.0-110.1 -82.7 118.8 2.9 59.7 54.8 3 42 A P T 3 S+ 0 0 12 0, 0.0 89,-0.2 0, 0.0 90,-0.1 -0.212 98.0 8.2 -50.4 130.8 3.5 56.0 54.0 4 43 A G T 3 S+ 0 0 9 87,-2.7 88,-0.2 2,-0.1 89,-0.1 0.562 89.6 118.1 76.4 11.9 5.9 54.3 56.4 5 44 A S S < S+ 0 0 46 -3,-1.9 60,-3.1 86,-0.3 61,-0.5 0.606 73.0 54.7 -85.2 -16.5 6.2 57.3 58.7 6 45 A V E S-A 64 0A 2 85,-0.5 85,-2.8 58,-0.3 2,-0.3 -0.943 78.5-167.2-108.7 141.6 4.9 55.1 61.5 7 46 A S E -AB 63 90A 0 56,-3.1 56,-2.3 -2,-0.4 2,-0.6 -0.903 22.3-138.9-127.1 155.5 6.6 51.8 62.3 8 47 A A E -AB 62 89A 0 81,-2.8 81,-2.4 -2,-0.3 2,-0.4 -0.974 27.1-161.9-111.4 112.3 5.9 48.6 64.3 9 48 A A E -AB 61 88A 0 52,-3.4 52,-3.5 -2,-0.6 2,-0.5 -0.785 4.9-148.6 -99.4 138.2 9.1 47.6 66.0 10 49 A F E +AB 60 87A 5 77,-3.2 77,-1.7 -2,-0.4 2,-0.4 -0.918 16.3 179.6-109.5 129.4 9.6 44.1 67.3 11 50 A V E -AB 59 86A 0 48,-2.0 48,-3.1 -2,-0.5 2,-0.4 -0.995 16.6-145.2-130.4 130.0 11.8 43.4 70.4 12 51 A T E -A 58 0A 3 73,-0.7 73,-0.3 -2,-0.4 46,-0.2 -0.793 18.2-172.6 -95.2 135.2 12.5 40.1 72.1 13 52 A C E -A 57 0A 0 44,-3.0 44,-2.5 -2,-0.4 3,-0.0 -0.919 32.2-126.2-124.6 152.4 12.9 39.8 75.8 14 53 A P S S- 0 0 37 0, 0.0 2,-0.3 0, 0.0 41,-0.1 0.781 88.3 -8.2 -64.9 -30.4 13.9 36.9 78.2 15 54 A N S > S- 0 0 76 42,-0.1 4,-1.8 41,-0.1 42,-0.2 -0.946 73.1 -94.4-158.4 176.9 10.8 37.3 80.3 16 55 A E H > S+ 0 0 78 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.853 115.1 59.5 -68.7 -37.2 7.6 39.3 81.1 17 56 A K H > S+ 0 0 151 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.936 110.5 40.6 -56.0 -52.2 9.2 41.3 83.9 18 57 A V H > S+ 0 0 28 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.912 113.9 53.5 -64.7 -45.3 11.9 42.8 81.6 19 58 A A H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.914 110.4 46.9 -58.0 -45.2 9.5 43.3 78.8 20 59 A K H X S+ 0 0 57 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.909 110.8 52.4 -62.7 -44.1 7.1 45.3 81.0 21 60 A E H X S+ 0 0 124 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.937 114.9 41.0 -58.3 -48.5 9.9 47.4 82.4 22 61 A I H X S+ 0 0 6 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.912 114.6 52.4 -66.4 -43.2 11.1 48.3 79.0 23 62 A A H X S+ 0 0 0 -4,-2.8 4,-1.7 -5,-0.3 -2,-0.2 0.935 111.1 46.6 -58.1 -50.5 7.6 48.8 77.6 24 63 A R H X S+ 0 0 115 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.907 113.3 50.4 -56.2 -46.1 6.7 51.1 80.5 25 64 A A H X S+ 0 0 27 -4,-2.0 4,-3.0 -5,-0.3 6,-0.2 0.936 107.9 49.4 -62.3 -50.7 9.9 53.1 80.0 26 65 A V H <>S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.2 6,-1.0 0.867 115.4 45.3 -61.1 -35.9 9.7 53.7 76.3 27 66 A V H ><5S+ 0 0 5 -4,-1.7 3,-1.7 -5,-0.2 -1,-0.2 0.932 113.8 48.1 -70.5 -47.6 6.1 54.9 76.7 28 67 A E H 3<5S+ 0 0 58 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.873 112.3 50.1 -60.8 -37.2 6.9 57.1 79.7 29 68 A K T 3<5S- 0 0 84 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.385 114.5-120.7 -81.0 2.5 9.9 58.5 77.7 30 69 A R T < 5S+ 0 0 108 -3,-1.7 -3,-0.2 2,-0.2 -2,-0.1 0.660 79.0 124.0 66.3 19.4 7.6 59.2 74.7 31 70 A L S S-C 50 0A 177 3,-2.3 3,-1.5 -2,-0.3 -2,-0.0 -0.954 73.5 -8.4-152.8 118.2 24.6 29.0 69.8 48 87 A K T 3 S- 0 0 94 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.895 128.9 -58.7 52.9 42.4 28.1 27.4 69.8 49 88 A G T 3 S+ 0 0 59 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.587 119.6 109.3 66.3 11.4 26.9 25.2 66.9 50 89 A K E < S- C 0 47A 47 -3,-1.5 -3,-2.3 0, 0.0 2,-0.6 -0.956 72.6-119.2-122.5 137.0 24.1 23.8 69.0 51 90 A I E - C 0 46A 20 -2,-0.4 2,-0.2 -5,-0.2 -5,-0.2 -0.640 34.1-164.2 -84.1 120.5 20.3 24.6 68.5 52 91 A E E - C 0 45A 78 -7,-2.9 -7,-1.3 -2,-0.6 2,-0.4 -0.664 13.7-157.2-103.6 153.8 18.8 26.2 71.6 53 92 A E E + C 0 44A 67 -2,-0.2 2,-0.3 -9,-0.2 -9,-0.2 -0.995 19.1 175.4-128.1 125.1 15.2 26.8 72.7 54 93 A D E - C 0 43A 50 -11,-1.7 -11,-2.4 -2,-0.4 2,-0.4 -0.926 33.7-116.9-125.7 152.1 14.3 29.6 75.1 55 94 A S E + C 0 42A 96 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.747 48.8 163.0 -79.8 132.1 11.1 31.0 76.6 56 95 A E E - C 0 41A 15 -15,-2.6 -15,-2.2 -2,-0.4 2,-0.4 -0.890 34.6-130.4-142.8 171.1 10.8 34.6 75.6 57 96 A V E -A 13 0A 8 -44,-2.5 -44,-3.0 -2,-0.3 2,-0.4 -0.984 21.2-143.2-126.1 141.5 8.3 37.5 75.3 58 97 A L E -AC 12 38A 0 -20,-2.9 -20,-3.6 -2,-0.4 2,-0.5 -0.897 6.5-153.7-112.4 133.2 7.8 39.6 72.2 59 98 A M E -AC 11 37A 0 -48,-3.1 -48,-2.0 -2,-0.4 2,-0.6 -0.890 4.9-163.1-103.2 130.8 7.1 43.3 72.1 60 99 A M E -AC 10 36A 0 -24,-2.9 -24,-2.6 -2,-0.5 2,-0.5 -0.937 18.8-168.5-107.7 105.4 5.3 45.0 69.2 61 100 A I E -AC 9 35A 0 -52,-3.5 -52,-3.4 -2,-0.6 2,-0.5 -0.840 7.9-155.9-103.5 122.8 6.1 48.6 69.7 62 101 A K E +AC 8 34A 0 -28,-2.7 -29,-2.3 -2,-0.5 -28,-1.2 -0.873 35.4 127.4-103.6 121.0 4.2 51.2 67.7 63 102 A T E -A 7 0A 0 -56,-2.3 -56,-3.1 -2,-0.5 40,-0.1 -0.926 60.6 -62.7-156.6 174.4 5.9 54.6 67.1 64 103 A Q E > -A 6 0A 25 38,-0.3 3,-0.6 -2,-0.3 4,-0.3 -0.462 41.5-131.2 -64.3 145.5 7.1 57.2 64.6 65 104 A S G > S+ 0 0 2 -60,-3.1 3,-1.3 1,-0.2 -59,-0.1 0.847 107.5 61.7 -68.9 -33.6 9.7 55.9 62.2 66 105 A S G 3 S+ 0 0 58 -61,-0.5 4,-0.3 1,-0.2 -1,-0.2 0.760 102.2 53.3 -62.5 -24.2 11.9 58.9 62.9 67 106 A L G <> S+ 0 0 37 -3,-0.6 4,-2.9 1,-0.2 -1,-0.2 0.551 80.3 93.7 -86.5 -8.9 12.1 57.8 66.5 68 107 A V H <> S+ 0 0 1 -3,-1.3 4,-2.7 -4,-0.3 5,-0.2 0.873 84.1 50.6 -58.3 -42.9 13.3 54.2 65.8 69 108 A P H > S+ 0 0 63 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.933 114.3 44.7 -58.2 -43.9 17.0 55.1 66.1 70 109 A A H > S+ 0 0 41 -4,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.859 113.1 51.6 -66.0 -38.4 16.3 56.7 69.5 71 110 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.916 110.7 48.4 -62.2 -44.7 14.1 53.8 70.5 72 111 A T H X S+ 0 0 5 -4,-2.7 4,-3.2 -5,-0.2 5,-0.2 0.919 108.8 52.4 -62.9 -47.0 16.8 51.3 69.6 73 112 A D H X S+ 0 0 88 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.922 111.7 47.3 -56.1 -45.6 19.5 53.2 71.5 74 113 A F H X S+ 0 0 42 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.924 114.1 46.3 -61.0 -47.6 17.3 53.2 74.6 75 114 A V H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.943 109.7 52.4 -63.7 -49.5 16.5 49.5 74.3 76 115 A R H < S+ 0 0 106 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.905 111.3 50.9 -51.8 -39.3 20.1 48.5 73.7 77 116 A S H < S+ 0 0 87 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.882 121.3 29.1 -68.3 -43.7 21.0 50.5 76.9 78 117 A V H < S+ 0 0 66 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.674 97.0 105.6 -89.1 -20.2 18.4 48.9 79.2 79 118 A H < - 0 0 10 -4,-3.0 5,-0.1 -5,-0.2 -66,-0.1 -0.352 65.3-140.6 -70.4 140.4 18.2 45.4 77.5 80 119 A P S S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -67,-0.1 0.912 76.2 82.9 -66.5 -43.8 19.9 42.5 79.2 81 120 A Y S S- 0 0 84 1,-0.1 3,-0.3 2,-0.1 -2,-0.0 -0.155 79.7-130.0 -64.7 154.3 21.3 40.8 76.2 82 121 A E S S+ 0 0 180 1,-0.3 2,-0.6 2,-0.0 -1,-0.1 0.935 104.8 32.7 -64.5 -48.7 24.6 41.9 74.6 83 122 A V S S- 0 0 69 230,-0.1 2,-0.3 231,-0.0 -1,-0.3 -0.910 86.0-155.9-114.8 103.6 22.9 42.1 71.2 84 123 A A - 0 0 1 -2,-0.6 2,-0.7 -3,-0.3 230,-0.3 -0.601 17.2-122.8 -82.1 134.2 19.2 43.1 71.4 85 124 A E + 0 0 14 -73,-0.3 -73,-0.7 -2,-0.3 2,-0.4 -0.666 43.0 159.4 -72.0 112.7 16.7 42.1 68.7 86 125 A V E +B 11 0A 0 -2,-0.7 225,-2.3 225,-0.2 2,-0.4 -0.914 6.0 166.9-137.2 113.4 15.1 45.4 67.4 87 126 A I E -BF 10 310A 2 -77,-1.7 -77,-3.2 -2,-0.4 2,-0.5 -0.996 18.8-153.8-129.8 129.8 13.5 45.3 64.0 88 127 A A E -BF 9 309A 0 221,-3.1 220,-1.7 -2,-0.4 221,-1.1 -0.888 4.5-164.8-109.9 129.5 11.2 48.0 62.6 89 128 A L E -B 8 0A 2 -81,-2.4 -81,-2.8 -2,-0.5 2,-0.2 -0.949 23.0-123.4-113.8 129.6 8.6 47.4 60.0 90 129 A P E -B 7 0A 19 0, 0.0 2,-0.8 0, 0.0 -83,-0.2 -0.439 13.0-132.4 -79.2 141.4 7.0 50.3 58.2 91 130 A V - 0 0 0 -85,-2.8 -87,-2.7 1,-0.2 -85,-0.5 -0.829 22.9-179.6 -93.2 111.9 3.3 50.9 58.2 92 131 A E + 0 0 35 104,-1.6 2,-0.3 -2,-0.8 -1,-0.2 0.888 67.1 2.6 -79.7 -42.2 2.2 51.6 54.6 93 132 A Q E S+G 196 0A 20 103,-0.9 103,-2.8 -90,-0.1 2,-0.3 -0.907 73.7 122.1-138.6 167.2 -1.6 52.1 55.3 94 133 A G E -G 195 0A 21 -2,-0.3 2,-0.8 101,-0.2 101,-0.2 -0.992 63.5 -28.9 169.5-167.0 -4.0 52.2 58.3 95 134 A N > - 0 0 1 99,-2.1 4,-2.6 -2,-0.3 3,-0.5 -0.672 52.6-151.4 -75.7 106.2 -6.6 54.0 60.4 96 135 A F H > S+ 0 0 95 -2,-0.8 4,-3.3 1,-0.3 5,-0.3 0.880 91.5 53.0 -52.6 -52.4 -5.6 57.6 59.9 97 136 A P H > S+ 0 0 50 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.908 113.7 44.9 -45.9 -47.3 -6.9 58.9 63.3 98 137 A Y H > S+ 0 0 10 -3,-0.5 4,-2.2 94,-0.3 -2,-0.2 0.904 113.3 49.1 -66.1 -43.4 -4.8 56.2 65.0 99 138 A L H X S+ 0 0 3 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.877 112.4 49.6 -61.7 -38.7 -1.8 56.9 62.9 100 139 A Q H X S+ 0 0 82 -4,-3.3 4,-2.8 -5,-0.3 -2,-0.2 0.874 108.8 53.2 -63.8 -41.3 -2.2 60.6 63.7 101 140 A W H X S+ 0 0 74 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.886 103.5 55.1 -63.3 -41.2 -2.5 59.6 67.4 102 141 A V H < S+ 0 0 0 -4,-2.2 -38,-0.3 1,-0.2 4,-0.2 0.891 113.3 43.5 -60.2 -38.7 0.8 57.7 67.4 103 142 A R H >X S+ 0 0 128 -4,-1.3 3,-1.4 -5,-0.2 4,-0.9 0.939 111.5 53.8 -68.6 -49.2 2.4 60.9 66.1 104 143 A Q H >< S+ 0 0 105 -4,-2.8 3,-0.7 1,-0.3 -2,-0.2 0.905 110.2 45.9 -51.9 -49.9 0.6 63.2 68.5 105 144 A V T 3< S+ 0 0 38 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.445 115.9 45.8 -80.3 0.3 1.7 61.3 71.6 106 145 A T T <4 0 0 9 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.2 0.412 360.0 360.0-119.8 -0.0 5.3 61.0 70.5 107 146 A E << 0 0 122 -4,-0.9 -3,-0.0 -3,-0.7 -4,-0.0 -0.248 360.0 360.0 -64.7 360.0 6.1 64.6 69.3 108 !* 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 0.0 109 40 B Y 0 0 88 0, 0.0 93,-0.0 0, 0.0 95,-0.0 0.000 360.0 360.0 360.0 125.9 3.4 38.7 42.3 110 41 B V > - 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