==== 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 HYDROLASE 31-JUL-09 3IIC . COMPND 2 MOLECULE: CHEC DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA LOIHICA PV-4; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 308 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13485.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 73.7 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 . 96 31.2 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 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 . 13 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 2 0 0 0 0 0 0 2 0 0 0 0 2 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 . 2 4 0 2 2 0 1 2 3 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 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 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 X 0 0 88 0, 0.0 2,-0.2 0, 0.0 133,-0.0 0.000 360.0 360.0 360.0-166.5 59.6 34.2 45.5 2 2 A N >> - 0 0 82 1,-0.1 4,-2.4 2,-0.1 3,-0.6 -0.449 360.0-149.1 -60.3 128.2 61.7 31.7 43.5 3 3 A V H 3> S+ 0 0 91 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.760 101.3 60.3 -66.1 -27.4 60.9 31.6 39.8 4 4 A D H 34 S+ 0 0 91 2,-0.2 -1,-0.2 1,-0.2 103,-0.1 0.726 109.6 41.8 -69.5 -29.1 62.0 27.9 39.9 5 5 A F H <> S+ 0 0 6 -3,-0.6 4,-0.5 2,-0.1 -2,-0.2 0.858 119.2 42.9 -81.8 -47.3 59.2 27.3 42.5 6 6 A I H >X S+ 0 0 10 -4,-2.4 4,-1.4 1,-0.2 3,-1.2 0.918 102.4 65.8 -67.2 -48.9 56.5 29.4 40.7 7 7 A N H 3X S+ 0 0 70 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.792 93.2 58.8 -47.0 -45.6 57.1 28.3 37.1 8 8 A P H 3> S+ 0 0 2 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.851 107.2 49.1 -53.8 -37.9 56.0 24.6 37.6 9 9 A F H - D 0 53A 9 3,-2.2 3,-1.7 -2,-0.4 2,-0.4 -0.674 56.9 -56.4-121.1-179.9 55.9 20.6 53.2 51 51 A P T 3 S- 0 0 109 0, 0.0 59,-0.1 0, 0.0 3,-0.1 -0.501 125.2 -14.6 -63.7 115.8 58.5 20.0 55.9 52 52 A Q T 3 S+ 0 0 101 -2,-0.4 2,-0.3 1,-0.2 -3,-0.0 0.701 126.0 93.0 59.7 26.6 58.6 23.3 57.9 53 53 A T E < -D 50 0A 36 -3,-1.7 -3,-2.2 101,-0.2 2,-0.3 -0.987 49.9-172.0-145.2 150.9 56.7 25.1 55.1 54 54 A K E +DF 49 153A 73 99,-2.3 99,-2.4 -2,-0.3 2,-0.3 -0.994 13.9 154.5-145.2 148.7 53.1 25.9 54.2 55 55 A G E -DF 48 152A 0 -7,-3.0 -7,-2.6 -2,-0.3 215,-0.9 -0.916 22.8-137.0-157.9-176.4 51.3 27.4 51.2 56 56 A S E -DF 47 151A 0 95,-2.7 95,-2.6 -2,-0.3 2,-0.4 -0.994 4.2-159.4-158.0 147.0 48.2 27.8 49.1 57 57 A L E -DF 46 150A 0 -11,-2.9 -11,-2.6 -2,-0.3 2,-0.3 -0.989 8.3-178.4-130.1 139.2 47.0 27.8 45.5 58 58 A S E -DF 45 149A 3 91,-2.3 91,-2.7 -2,-0.4 2,-0.4 -0.990 9.0-167.4-135.4 143.3 43.9 29.3 43.9 59 59 A I E -DF 44 148A 0 -15,-2.4 -15,-2.9 -2,-0.3 2,-0.4 -0.978 15.2-170.1-129.3 116.9 42.7 29.3 40.3 60 60 A T E -DF 43 147A 8 87,-3.0 87,-2.8 -2,-0.4 2,-0.4 -0.911 1.8-164.4-114.7 136.3 39.8 31.6 39.5 61 61 A F E -DF 42 146A 0 -19,-3.0 -20,-2.4 -2,-0.4 -19,-1.5 -0.935 21.6-125.9-119.9 143.2 37.7 31.8 36.3 62 62 A E > - 0 0 61 83,-1.5 4,-1.8 -2,-0.4 3,-0.4 -0.559 38.2-113.1 -73.1 147.3 35.3 34.4 34.8 63 63 A E H > S+ 0 0 71 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.910 113.8 54.2 -52.9 -48.4 32.0 32.6 34.0 64 64 A T H > S+ 0 0 94 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.852 109.5 49.4 -58.2 -35.6 32.3 33.0 30.2 65 65 A L H > S+ 0 0 0 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.935 112.5 43.8 -69.7 -50.2 35.7 31.4 30.2 66 66 A I H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.853 113.2 52.2 -67.4 -35.3 34.9 28.3 32.3 67 67 A L H X S+ 0 0 8 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.832 110.2 49.0 -68.5 -32.8 31.6 27.8 30.3 68 68 A E H X S+ 0 0 22 -4,-1.4 4,-2.7 -5,-0.3 -2,-0.2 0.888 107.6 53.9 -70.1 -41.2 33.6 27.9 27.0 69 69 A I H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.959 111.4 46.5 -53.1 -51.2 36.1 25.4 28.4 70 70 A X H X S+ 0 0 8 -4,-2.2 4,-2.7 1,-0.2 6,-0.4 0.892 111.1 52.7 -54.6 -44.5 33.0 23.1 29.2 71 71 A N H X S+ 0 0 42 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.859 106.6 51.4 -62.1 -40.8 31.7 23.9 25.6 72 72 A K H < S+ 0 0 92 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.799 116.5 40.8 -67.0 -31.7 35.0 22.8 23.9 73 73 A X H < S+ 0 0 84 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.882 129.8 24.7 -81.5 -43.8 35.0 19.5 25.9 74 74 A L H < S- 0 0 97 -4,-2.7 -3,-0.2 2,-0.2 -2,-0.2 0.581 98.6-116.9-103.1 -13.7 31.3 18.6 25.6 75 75 A G S < S+ 0 0 65 -4,-2.1 2,-0.3 -5,-0.3 -4,-0.2 0.386 88.2 70.3 87.3 -2.7 30.0 20.4 22.5 76 76 A E S S- 0 0 145 -6,-0.4 -2,-0.2 -9,-0.1 -3,-0.1 -0.980 76.1-122.5-151.7 138.1 27.5 22.6 24.5 77 77 A K - 0 0 86 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.1 -0.573 18.9-139.5 -73.8 130.2 27.6 25.6 27.1 78 78 A P - 0 0 30 0, 0.0 2,-1.4 0, 0.0 -1,-0.1 0.434 25.1-134.8 -67.9 -3.0 25.9 24.9 30.5 79 79 A E S S+ 0 0 180 -12,-0.1 2,-0.3 3,-0.0 -12,-0.1 -0.152 79.9 24.1 75.1 -44.6 24.3 28.5 30.7 80 80 A S S S- 0 0 64 -2,-1.4 2,-0.8 -13,-0.0 5,-0.2 -0.910 97.0 -85.4-139.4 174.1 25.3 28.9 34.4 81 81 A I + 0 0 33 -2,-0.3 2,-0.1 4,-0.1 -18,-0.0 -0.743 61.7 160.1 -86.9 109.0 27.9 27.5 36.8 82 82 A D > - 0 0 63 -2,-0.8 4,-2.4 38,-0.0 5,-0.2 -0.341 58.0 -74.5-115.5-169.1 26.5 24.2 38.2 83 83 A E H > S+ 0 0 133 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.850 128.6 56.3 -61.2 -39.2 27.8 21.1 39.9 84 84 A E H > S+ 0 0 113 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.938 111.6 44.7 -56.1 -48.4 29.3 19.8 36.6 85 85 A V H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.892 113.5 48.4 -63.1 -43.9 31.3 23.0 36.3 86 86 A T H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.881 109.1 54.0 -68.5 -37.5 32.4 23.0 40.0 87 87 A D H X S+ 0 0 80 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.884 110.0 48.7 -57.8 -39.0 33.4 19.3 39.6 88 88 A L H X S+ 0 0 15 -4,-1.6 4,-3.1 2,-0.2 -2,-0.2 0.883 108.6 51.4 -68.3 -42.6 35.6 20.3 36.6 89 89 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.901 110.2 50.4 -62.1 -41.7 37.2 23.3 38.5 90 90 A G H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.905 113.1 45.9 -62.3 -45.5 38.1 20.9 41.4 91 91 A E H X S+ 0 0 104 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.933 112.3 49.7 -62.0 -49.4 39.7 18.4 39.0 92 92 A L H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.936 110.9 52.2 -55.9 -43.9 41.6 21.1 37.1 93 93 A T H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.881 111.6 44.5 -58.8 -46.2 42.8 22.4 40.5 94 94 A N H X S+ 0 0 40 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.840 114.4 49.9 -65.7 -40.2 44.1 18.9 41.6 95 95 A X H X S+ 0 0 99 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.891 111.7 46.9 -69.0 -41.9 45.8 18.3 38.2 96 96 A V H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.953 117.8 42.7 -61.7 -52.0 47.6 21.7 38.2 97 97 A T H X S+ 0 0 0 -4,-2.0 4,-3.1 -5,-0.2 -2,-0.2 0.919 116.2 47.3 -62.0 -47.7 48.8 21.2 41.8 98 98 A G H X S+ 0 0 19 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.877 111.4 52.3 -61.6 -40.6 49.8 17.5 41.3 99 99 A G H X S+ 0 0 21 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.893 113.8 42.6 -61.5 -43.8 51.6 18.4 38.0 100 100 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.898 107.7 61.5 -67.3 -43.0 53.6 21.1 39.9 101 101 A K H X S+ 0 0 51 -4,-3.1 4,-1.1 1,-0.2 -2,-0.2 0.879 108.2 44.5 -48.5 -45.0 54.1 18.7 42.9 102 102 A N H X S+ 0 0 96 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.868 112.2 48.0 -70.2 -46.7 56.0 16.3 40.5 103 103 A L H X S+ 0 0 68 -4,-1.5 4,-0.9 1,-0.2 -2,-0.2 0.896 115.0 48.3 -60.2 -41.8 58.2 18.9 38.6 104 104 A L H <>S+ 0 0 0 -4,-2.7 5,-2.1 1,-0.2 4,-0.4 0.715 102.2 61.8 -71.5 -27.8 59.1 20.4 42.0 105 105 A S H ><5S+ 0 0 36 -4,-1.1 3,-0.8 -5,-0.2 -1,-0.2 0.873 101.9 52.6 -66.6 -38.5 60.0 17.0 43.6 106 106 A D H 3<5S+ 0 0 139 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.833 109.8 49.2 -64.7 -35.7 62.8 16.6 41.0 107 107 A K T 3<5S- 0 0 106 -4,-0.9 -1,-0.2 2,-0.2 -2,-0.2 0.516 125.3-102.4 -78.4 -10.3 64.1 20.0 41.9 108 108 A G T < 5S+ 0 0 55 -3,-0.8 2,-0.6 -4,-0.4 -3,-0.2 0.258 82.5 125.7 105.0 -11.8 64.1 19.1 45.7 109 109 A Y < - 0 0 75 -5,-2.1 2,-0.4 -6,-0.1 -1,-0.3 -0.746 39.8-173.5 -81.7 119.5 60.9 21.0 46.8 110 110 A E + 0 0 101 -2,-0.6 2,-0.3 -59,-0.1 -8,-0.1 -0.940 14.1 146.7-118.9 138.5 58.6 18.5 48.5 111 111 A F - 0 0 4 -2,-0.4 2,-0.3 -61,-0.2 -61,-0.3 -0.967 33.7-135.6-161.6 154.8 55.0 19.1 49.7 112 112 A D E -E 49 0A 90 -63,-2.9 -63,-2.4 -2,-0.3 2,-0.3 -0.825 26.4-130.8-108.9 156.3 51.7 17.3 50.1 113 113 A X E -E 48 0A 20 -2,-0.3 -65,-0.2 -65,-0.2 90,-0.0 -0.784 7.4-134.7-112.5 149.3 48.4 18.8 49.2 114 114 A A - 0 0 0 -67,-2.8 97,-0.2 -2,-0.3 90,-0.1 -0.093 46.2 -73.9 -82.0-175.3 45.0 19.1 51.0 115 115 A T - 0 0 2 95,-1.0 -68,-0.4 88,-0.3 -1,-0.2 -0.644 57.9-110.7 -79.8 143.7 41.6 18.3 49.5 116 116 A P - 0 0 2 0, 0.0 168,-2.3 0, 0.0 2,-0.4 -0.496 25.3-153.7 -79.6 148.9 40.4 21.0 47.0 117 117 A I E -CG 45 283A 6 -72,-2.9 -72,-3.5 166,-0.2 2,-0.5 -0.943 3.9-152.3-118.0 139.8 37.6 23.5 47.7 118 118 A V E -CG 44 282A 0 164,-3.0 164,-1.6 -2,-0.4 2,-0.4 -0.979 7.0-161.2-113.1 129.1 35.5 25.1 44.9 119 119 A V E -CG 43 281A 0 -76,-2.5 -76,-2.5 -2,-0.5 2,-0.4 -0.919 4.0-168.1-108.4 130.1 33.9 28.5 45.5 120 120 A S E +CG 42 280A 14 160,-2.2 160,-2.5 -2,-0.4 -78,-0.2 -0.981 30.8 118.9-117.5 131.8 31.0 29.7 43.3 121 121 A G E > - 0 0 12 -80,-2.9 3,-1.2 -2,-0.4 -81,-0.2 -0.605 63.7 -93.8 171.3 135.0 29.8 33.3 43.4 122 122 A K E 3 S- 0 0 89 1,-0.2 155,-0.3 155,-0.2 -81,-0.2 -0.299 102.4 -11.8 -59.3 126.5 29.5 36.2 41.1 123 123 A N E 3 S+ 0 0 92 1,-0.1 -1,-0.2 153,-0.1 -82,-0.2 0.761 87.0 167.3 53.8 41.3 32.6 38.6 41.3 124 124 A H E < -C 40 0A 1 -84,-2.2 -84,-1.6 -3,-1.2 2,-0.3 -0.440 22.3-144.5 -81.6 157.8 34.2 37.1 44.4 125 125 A T E -I 275 0B 18 150,-2.7 150,-2.4 -86,-0.2 2,-0.4 -0.844 5.1-139.1-121.5 160.9 37.8 37.9 45.5 126 126 A I E -I 274 0B 9 -88,-0.4 -90,-1.8 -2,-0.3 2,-0.4 -0.985 12.5-173.4-130.4 128.2 40.5 35.8 47.1 127 127 A A E -I 273 0B 0 146,-3.0 146,-3.5 -2,-0.4 2,-0.7 -0.995 12.7-154.8-121.9 119.5 42.9 36.7 49.9 128 128 A H E -I 272 0B 0 -2,-0.4 2,-1.2 144,-0.2 144,-0.2 -0.896 18.4-145.3 -91.7 115.2 45.7 34.2 50.8 129 129 A K + 0 0 35 142,-2.4 2,-0.3 -2,-0.7 -2,-0.0 -0.674 48.8 120.3 -90.7 88.4 46.5 35.2 54.4 130 130 A S - 0 0 20 -2,-1.2 -2,-0.1 2,-0.1 22,-0.1 -0.995 65.7-134.4-148.6 154.7 50.2 34.6 54.8 131 131 A D S S+ 0 0 163 -2,-0.3 3,-0.1 2,-0.0 -1,-0.1 0.610 82.4 96.0 -82.0 -13.1 53.5 36.3 55.6 132 132 A G S S- 0 0 23 1,-0.2 2,-0.3 21,-0.1 21,-0.2 0.186 88.9 -73.8 -67.6-174.1 55.1 34.5 52.6 133 133 A Q E - 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