==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 19-MAR-04 1SQU . COMPND 2 MOLECULE: CHEX PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR R.ZHANG,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK,MIDWEST CENTER . 306 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13571.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 78.1 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 . 90 29.4 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 . 0 0.0 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 . 34 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 30.4 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+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 2 0 0 0 0 0 2 0 0 0 0 0 1 1 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 . 3 3 5 3 0 1 4 0 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 0 0 0 1 1 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 91 0, 0.0 2,-0.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 139.4 -5.1 36.4 27.8 2 2 A D >> - 0 0 100 1,-0.2 3,-4.1 2,-0.1 4,-1.1 -0.243 360.0-153.6 -50.4 102.2 -5.1 38.9 30.7 3 3 A A H 3> S+ 0 0 71 -2,-0.4 4,-2.3 1,-0.3 -1,-0.2 0.760 94.1 72.6 -51.1 -25.0 -6.7 42.0 29.2 4 4 A R H 3> S+ 0 0 149 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.697 102.1 44.0 -64.1 -16.7 -4.7 43.9 31.8 5 5 A I H <> S+ 0 0 14 -3,-4.1 4,-2.6 2,-0.2 -2,-0.2 0.877 107.6 51.9 -93.1 -49.7 -1.8 42.9 29.6 6 6 A V H X S+ 0 0 25 -4,-1.1 4,-2.8 1,-0.2 5,-0.3 0.875 109.5 58.9 -52.8 -33.8 -3.2 43.7 26.1 7 7 A N H X S+ 0 0 116 -4,-2.3 4,-1.9 -5,-0.3 5,-0.3 0.966 105.7 43.0 -57.7 -58.7 -3.8 47.0 27.9 8 8 A A H X S+ 0 0 6 -4,-0.9 4,-1.8 1,-0.2 -1,-0.2 0.819 115.7 52.5 -60.8 -31.1 -0.2 47.6 28.8 9 9 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.989 109.2 43.0 -70.6 -60.7 0.8 46.5 25.2 10 10 A I H X S+ 0 0 33 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.853 117.9 48.3 -55.4 -36.4 -1.4 48.7 23.1 11 11 A G H X S+ 0 0 19 -4,-1.9 4,-3.5 -5,-0.3 5,-0.2 0.915 111.8 49.3 -69.7 -42.7 -0.7 51.6 25.3 12 12 A S H X S+ 0 0 0 -4,-1.8 4,-1.4 -5,-0.3 5,-0.2 0.962 115.6 42.4 -57.8 -56.3 3.1 50.9 25.2 13 13 A V H >X S+ 0 0 3 -4,-3.1 4,-4.0 2,-0.2 3,-0.9 0.974 118.1 48.1 -53.6 -58.3 3.0 50.6 21.4 14 14 A Y H 3X S+ 0 0 68 -4,-2.7 4,-0.7 -5,-0.3 -2,-0.2 0.954 113.0 44.4 -46.4 -68.7 0.8 53.7 21.2 15 15 A E H 3X S+ 0 0 59 -4,-3.5 4,-1.2 1,-0.2 -1,-0.3 0.664 122.1 42.1 -55.1 -16.7 2.8 55.9 23.6 16 16 A T H S+ 0 0 8 -4,-1.4 4,-2.3 -3,-0.9 5,-0.7 0.858 108.1 51.4 -98.4 -48.5 6.0 54.8 21.8 17 17 A I H <5S+ 0 0 13 -4,-4.0 6,-0.8 -5,-0.2 -2,-0.2 0.530 117.5 52.0 -66.4 1.1 5.1 54.8 18.1 18 18 A R H X5S+ 0 0 72 -4,-0.7 4,-0.7 -5,-0.4 -2,-0.2 0.853 114.3 31.5-101.6 -52.1 4.0 58.2 19.2 19 19 A D H <5S+ 0 0 109 -4,-1.2 -2,-0.2 2,-0.2 -3,-0.1 0.811 124.5 43.8 -79.8 -31.6 6.9 59.9 21.0 20 20 A V T <5S+ 0 0 37 -4,-2.3 -3,-0.2 1,-0.1 -1,-0.2 0.823 129.6 27.0 -81.9 -33.8 9.7 58.2 19.1 21 21 A L T 4 - 0 0 26 83,-0.5 4,-2.2 -2,-0.3 5,-0.1 -0.490 29.9-110.8 -96.0 166.0 8.0 45.8 5.2 62 62 A S H > S+ 0 0 66 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.923 122.5 47.6 -56.7 -47.2 11.3 47.1 3.8 63 63 A E H > S+ 0 0 129 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.926 112.4 48.7 -59.6 -47.8 9.4 50.2 2.5 64 64 A T H > S+ 0 0 4 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.808 107.9 58.9 -62.4 -31.0 7.7 50.6 5.9 65 65 A A H >X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 3,-0.5 0.906 102.6 47.7 -66.7 -47.9 11.1 50.2 7.5 66 66 A L H 3X S+ 0 0 33 -4,-1.8 4,-2.9 1,-0.2 5,-0.3 0.835 106.6 58.7 -65.4 -33.2 12.9 53.2 5.9 67 67 A K H 3X S+ 0 0 59 -4,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.799 106.1 49.9 -66.5 -26.6 10.0 55.4 6.6 68 68 A V H X S+ 0 0 1 -4,-1.8 4,-3.9 2,-0.2 3,-1.9 0.981 113.9 43.9 -57.4 -60.2 14.3 55.4 10.0 70 70 A S H 3<>S+ 0 0 23 -4,-2.9 5,-1.9 1,-0.3 6,-0.4 0.928 111.3 56.0 -51.3 -45.6 13.6 58.7 8.3 71 71 A A H 3<5S+ 0 0 32 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.738 116.7 37.1 -59.9 -21.6 10.9 59.3 10.9 72 72 A M H <<5S+ 0 0 42 -3,-1.9 2,-3.0 -4,-1.0 -2,-0.2 0.855 102.1 70.9 -96.2 -45.9 13.5 58.8 13.6 73 73 A M T ><5S- 0 0 84 -4,-3.9 3,-2.5 1,-0.2 -1,-0.2 -0.337 130.5 -78.4 -73.3 63.6 16.5 60.5 12.0 74 74 A G T 3 5S- 0 0 79 -2,-3.0 -1,-0.2 1,-0.3 -3,-0.1 0.562 79.6 -72.5 53.9 11.1 15.1 63.9 12.4 75 75 A G T 3 - 0 0 64 -2,-0.8 4,-2.1 1,-0.0 5,-0.2 -0.301 59.2 -81.4 -87.8 175.2 22.2 49.5 6.4 83 83 A E H > S+ 0 0 122 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.826 129.0 53.0 -46.0 -44.6 23.3 48.5 9.9 84 84 A L H > S+ 0 0 85 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.978 108.2 50.4 -56.3 -56.2 22.5 51.9 11.4 85 85 A A H > S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.874 113.1 49.2 -46.7 -42.1 18.9 51.7 9.9 86 86 A L H X S+ 0 0 28 -4,-2.1 4,-2.3 1,-0.2 -1,-0.3 0.930 107.3 51.0 -66.1 -48.3 18.8 48.3 11.5 87 87 A S H X S+ 0 0 47 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.811 111.4 50.9 -60.7 -28.2 20.0 49.4 14.9 88 88 A A H X S+ 0 0 11 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.928 106.6 53.6 -72.2 -48.0 17.3 52.1 14.8 89 89 A I H X S+ 0 0 8 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.891 112.0 45.4 -52.4 -45.8 14.6 49.6 13.9 90 90 A G H X S+ 0 0 0 -4,-2.3 4,-3.6 1,-0.2 -1,-0.2 0.917 107.4 55.5 -67.9 -44.6 15.6 47.5 16.9 91 91 A E H X S+ 0 0 97 -4,-1.9 4,-3.7 1,-0.2 5,-0.2 0.874 105.6 54.8 -56.7 -37.6 15.8 50.4 19.4 92 92 A L H X S+ 0 0 19 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.959 113.4 39.3 -62.1 -50.4 12.2 51.3 18.4 93 93 A G H X S+ 0 0 4 -4,-1.7 4,-2.5 1,-0.2 5,-0.2 0.886 117.8 52.5 -65.8 -34.2 11.0 47.8 19.2 94 94 A N H X S+ 0 0 48 -4,-3.6 4,-1.9 1,-0.2 -2,-0.2 0.889 106.6 50.0 -68.0 -40.9 13.3 47.9 22.2 95 95 A M H X S+ 0 0 85 -4,-3.7 4,-1.1 -5,-0.2 -1,-0.2 0.821 112.3 50.6 -67.3 -29.4 12.0 51.2 23.5 96 96 A T H >X S+ 0 0 5 -4,-1.6 4,-2.9 -5,-0.2 3,-1.5 0.987 110.4 45.0 -70.1 -60.0 8.5 49.8 23.2 97 97 A A H 3X S+ 0 0 1 -4,-2.5 4,-3.0 1,-0.3 -2,-0.2 0.848 110.1 59.6 -51.3 -35.6 9.1 46.5 25.1 98 98 A G H 3X S+ 0 0 31 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.3 0.851 108.9 41.2 -63.0 -35.3 10.9 48.7 27.6 99 99 A K H < S+ 0 0 2 -4,-2.0 3,-1.5 -5,-0.2 5,-0.3 0.870 99.7 61.0 -67.3 -37.4 3.8 45.7 33.8 105 105 A E H >< S+ 0 0 76 -4,-2.0 3,-1.1 1,-0.3 -1,-0.2 0.867 100.6 54.1 -58.2 -37.6 5.9 46.6 36.8 106 106 A H T 3< S+ 0 0 141 -4,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.509 106.0 52.5 -77.5 -5.6 3.1 48.9 38.1 107 107 A L T < S- 0 0 68 -3,-1.5 2,-0.4 2,-0.3 -1,-0.2 0.130 124.3 -94.3-116.0 19.0 0.5 46.1 37.9 108 108 A G S < S+ 0 0 47 -3,-1.1 2,-0.2 1,-0.2 -3,-0.1 -0.410 89.2 111.8 106.7 -56.2 2.4 43.6 39.9 109 109 A K - 0 0 79 -2,-0.4 2,-0.6 -5,-0.3 -2,-0.3 -0.349 50.5-154.1 -63.3 124.9 4.2 41.5 37.3 110 110 A H + 0 0 119 -2,-0.2 -59,-3.5 -3,-0.1 2,-0.3 -0.887 23.3 169.5-101.6 118.9 8.0 41.8 37.1 111 111 A V E -E 50 0A 18 -2,-0.6 2,-0.3 -61,-0.3 -61,-0.3 -0.937 24.0-141.8-132.9 154.9 9.5 41.0 33.6 112 112 A D E -E 49 0A 83 -63,-3.0 -63,-1.9 -2,-0.3 2,-0.4 -0.858 16.9-135.4-114.4 150.7 12.9 41.3 31.8 113 113 A I E -E 48 0A 27 -2,-0.3 90,-0.2 -65,-0.2 -65,-0.2 -0.831 6.0-145.4-112.4 141.7 13.5 42.2 28.3 114 114 A T - 0 0 8 -67,-2.0 88,-0.1 -2,-0.4 94,-0.1 -0.558 34.0 -98.8 -94.6 159.1 15.9 40.6 25.7 115 115 A P - 0 0 14 0, 0.0 -68,-0.4 0, 0.0 -1,-0.1 -0.459 50.9-100.8 -73.4 157.8 17.7 42.7 23.0 116 116 A P - 0 0 10 0, 0.0 2,-0.4 0, 0.0 166,-0.3 -0.361 26.5-154.8 -80.4 161.9 15.9 42.6 19.7 117 117 A T E -D 45 0A 7 -72,-1.5 -72,-2.0 164,-0.1 2,-0.4 -0.961 7.9-152.6-135.1 113.4 16.8 40.4 16.7 118 118 A V E -DH 44 280A 3 162,-2.0 162,-2.7 -2,-0.4 2,-0.3 -0.751 17.9-179.8 -90.2 133.7 15.8 41.6 13.2 119 119 A V E -DH 43 279A 3 -76,-2.0 -76,-2.4 -2,-0.4 2,-0.3 -0.946 4.0-173.1-129.9 151.6 15.4 38.8 10.7 120 120 A S E +DH 42 278A 30 158,-2.5 158,-2.0 -2,-0.3 2,-0.3 -0.981 15.4 131.9-143.6 154.7 14.4 39.0 7.0 121 121 A G - 0 0 10 -80,-1.1 2,-0.5 -2,-0.3 3,-0.4 -0.991 51.0 -81.4 176.5 175.0 13.5 36.6 4.2 122 122 A R S S+ 0 0 142 -2,-0.3 153,-3.2 1,-0.3 -81,-0.0 -0.871 108.9 5.3-100.6 126.5 11.4 35.3 1.4 123 123 A D S S- 0 0 126 -2,-0.5 -1,-0.3 151,-0.2 2,-0.1 0.999 89.1-157.9 63.6 68.0 8.3 33.4 2.5 124 124 A L + 0 0 23 -3,-0.4 -86,-0.3 -84,-0.3 2,-0.3 -0.443 18.9 177.9 -80.4 152.5 8.6 33.9 6.2 125 125 A K E - L 0 273B 106 148,-0.6 148,-1.7 -2,-0.1 2,-0.6 -0.856 9.4-163.4-156.1 114.1 7.1 31.7 8.8 126 126 A I E -KL 36 272B 6 -90,-0.5 2,-0.6 -2,-0.3 -90,-0.5 -0.901 7.1-154.2-105.7 121.3 7.5 32.1 12.5 127 127 A K E - L 0 271B 29 144,-4.4 144,-1.7 -2,-0.6 2,-0.3 -0.829 21.4-174.0 -92.1 125.4 6.6 29.3 14.8 128 128 A S - 0 0 14 -2,-0.6 2,-0.4 142,-0.2 142,-0.1 -0.796 15.3-134.6-118.2 163.6 5.7 30.7 18.2 129 129 A F + 0 0 45 140,-0.3 2,-0.1 -2,-0.3 -74,-0.1 -0.945 60.0 12.6-121.0 139.8 4.9 29.0 21.5 130 130 A G S S- 0 0 48 -2,-0.4 22,-0.2 22,-0.2 2,-0.1 -0.478 102.8 -23.6 98.2-171.9 2.1 29.7 24.0 131 131 A V E - I 0 151A 63 20,-1.8 20,-3.4 -2,-0.1 2,-0.4 -0.482 66.9-143.2 -76.2 149.0 -1.1 31.7 23.7 132 132 A I E - I 0 150A 9 -99,-0.5 -99,-1.2 18,-0.3 2,-0.4 -0.951 16.9-167.7-128.0 137.9 -1.1 34.5 21.1 133 133 A L E -BI 32 149A 7 16,-1.1 16,-2.3 -2,-0.4 2,-0.4 -0.962 11.6-156.3-118.0 127.9 -2.5 38.0 20.8 134 134 A K E +BI 31 148A 53 -103,-4.0 -103,-3.5 -2,-0.4 14,-0.2 -0.877 12.7 177.5-107.3 134.4 -2.6 39.9 17.5 135 135 A L E - I 0 147A 1 12,-2.4 12,-1.8 -2,-0.4 2,-0.2 -0.918 16.9-147.8-139.1 108.5 -2.7 43.7 17.3 136 136 A P E - I 0 146A 20 0, 0.0 -108,-3.6 0, 0.0 2,-0.4 -0.514 14.2-165.4 -78.2 143.4 -2.7 45.6 14.0 137 137 A I E -AI 27 145A 3 8,-2.2 8,-1.8 -110,-0.2 2,-0.5 -0.983 10.9-160.8-130.8 140.0 -1.0 49.0 13.8 138 138 A S E +A 26 0A 36 -112,-1.6 -112,-1.9 -2,-0.4 4,-0.1 -0.982 26.1 150.6-121.9 117.8 -1.3 51.7 11.2 139 139 A V S S- 0 0 15 -2,-0.5 -1,-0.1 2,-0.4 3,-0.1 0.771 83.3 -15.5-107.8 -59.2 1.5 54.3 11.2 140 140 A F S S+ 0 0 66 1,-0.1 2,-0.1 -115,-0.0 -2,-0.1 0.740 135.0 31.8-113.2 -61.7 1.9 55.5 7.6 141 141 A S S > S- 0 0 37 1,-0.1 3,-0.7 -77,-0.0 2,-0.6 -0.298 107.9 -78.1 -87.9-180.0 0.1 53.0 5.4 142 142 A E T 3 S- 0 0 165 1,-0.3 -4,-0.1 -4,-0.1 -1,-0.1 -0.747 113.2 -11.9 -84.4 120.9 -3.0 51.1 6.6 143 143 A E T 3 S+ 0 0 96 -2,-0.6 -1,-0.3 -117,-0.2 -5,-0.3 0.962 80.8 158.1 52.4 59.4 -1.8 48.3 8.9 144 144 A D < + 0 0 4 -3,-0.7 -83,-0.5 -7,-0.5 2,-0.4 0.470 66.0 49.3 -89.4 -2.7 1.9 48.7 7.9 145 145 A F E -GI 60 137A 16 -8,-1.8 -8,-2.2 -85,-0.1 2,-0.6 -0.942 65.2-171.7-139.6 112.6 2.9 47.0 11.1 146 146 A D E -GI 59 136A 2 -87,-2.1 -87,-1.4 -2,-0.4 2,-0.3 -0.924 13.9-167.5-109.5 122.9 1.4 43.8 12.5 147 147 A L E -GI 58 135A 1 -12,-1.8 -12,-2.4 -2,-0.6 2,-0.4 -0.833 7.5-168.0-111.6 146.7 2.4 42.8 16.0 148 148 A H E -GI 57 134A 1 -91,-0.9 -91,-2.6 -2,-0.3 2,-0.5 -0.991 8.1-165.0-132.8 140.2 2.0 39.6 17.9 149 149 A L E - 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