==== 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 UNKNOWN FUNCTION 08-FEB-07 2OTM . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA ONEIDENSIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 456 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16525.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 17.1 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 . 9 2.0 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 . 26 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 25.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 3 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 0 0 0 3 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 . 6 3 3 3 0 0 0 3 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 . 3 3 0 0 3 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 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 2 A X 0 0 212 0, 0.0 2,-0.6 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 145.5 11.3 10.8 0.9 2 3 A N + 0 0 134 4,-0.1 3,-0.0 3,-0.0 0, 0.0 -0.921 360.0 164.3 -96.8 119.7 12.9 10.6 4.4 3 4 A T > - 0 0 30 -2,-0.6 4,-2.0 1,-0.1 5,-0.2 -0.743 53.7-100.7-129.0 168.9 13.9 14.1 5.2 4 5 A P H > S+ 0 0 7 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.929 124.2 51.3 -56.8 -45.3 14.9 16.0 8.4 5 6 A E H > S+ 0 0 32 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.918 111.0 46.9 -59.1 -44.1 11.4 17.4 8.6 6 7 A S H > S+ 0 0 40 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.843 111.1 52.7 -68.3 -30.3 9.8 14.0 8.2 7 8 A R H X S+ 0 0 78 -4,-2.0 4,-2.1 114,-0.2 -1,-0.2 0.884 106.9 51.8 -72.3 -36.7 12.2 12.6 10.8 8 9 A L H <>S+ 0 0 7 -4,-2.5 5,-2.9 2,-0.2 4,-0.4 0.937 111.5 47.7 -59.4 -47.8 11.2 15.4 13.3 9 10 A V H ><5S+ 0 0 112 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.969 111.0 50.7 -56.8 -51.5 7.6 14.4 12.7 10 11 A A H 3<5S+ 0 0 89 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.836 109.9 50.5 -56.8 -33.9 8.4 10.8 13.2 11 12 A A T 3<5S- 0 0 38 -4,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.451 115.7-116.0 -82.9 -1.1 10.2 11.7 16.5 12 13 A G T < 5 + 0 0 68 -3,-2.1 2,-0.5 -4,-0.4 -3,-0.2 0.778 67.2 145.4 70.5 28.5 7.2 13.6 17.7 13 14 A L < - 0 0 39 -5,-2.9 2,-0.4 -6,-0.2 -1,-0.2 -0.858 34.9-162.5-106.2 127.6 9.2 16.9 17.7 14 15 A E - 0 0 110 -2,-0.5 58,-0.0 -3,-0.1 -5,-0.0 -0.879 27.4-118.5-102.8 137.5 7.8 20.3 16.8 15 16 A L - 0 0 49 -2,-0.4 58,-0.1 1,-0.1 3,-0.1 -0.588 32.3-129.5 -74.2 129.0 10.2 23.0 15.9 16 17 A P - 0 0 28 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.283 29.5 -87.6 -70.9 168.1 10.0 25.9 18.3 17 18 A E - 0 0 117 1,-0.1 2,-0.3 60,-0.0 29,-0.2 -0.497 55.0-100.6 -68.3 144.0 9.6 29.5 17.3 18 19 A V - 0 0 40 -2,-0.2 -1,-0.1 58,-0.2 2,-0.1 -0.543 38.1-127.5 -76.3 127.7 13.0 31.1 16.8 19 20 A A - 0 0 39 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.350 23.0-107.8 -73.4 157.0 14.1 33.2 19.8 20 21 A A - 0 0 87 1,-0.1 -1,-0.1 -2,-0.1 6,-0.1 -0.504 41.0 -91.8 -78.7 150.8 15.3 36.8 19.4 21 22 A A - 0 0 39 4,-0.2 -1,-0.1 -2,-0.2 5,-0.0 -0.297 23.7-137.5 -53.2 146.1 19.0 37.8 19.8 22 23 A L S S+ 0 0 53 -3,-0.1 2,-0.2 2,-0.0 -1,-0.1 0.390 84.5 8.1 -82.0 -0.6 20.1 38.8 23.3 23 24 A G S S- 0 0 13 2,-0.2 2,-1.8 242,-0.1 -2,-0.1 -0.828 109.2 -54.3-161.7-167.3 22.1 41.7 21.9 24 25 A N S S+ 0 0 79 -2,-0.2 2,-0.3 2,-0.0 258,-0.3 -0.381 95.8 100.4 -90.7 61.8 22.8 43.6 18.7 25 26 A Y S S- 0 0 29 -2,-1.8 258,-0.2 256,-0.1 -2,-0.2 -0.903 73.6 -99.0-141.4 163.5 23.8 40.6 16.6 26 27 A E - 0 0 56 256,-3.0 258,-0.4 -2,-0.3 3,-0.1 -0.619 23.0-128.8 -87.5 144.1 22.3 38.3 14.0 27 28 A P S S- 0 0 36 0, 0.0 11,-2.6 0, 0.0 2,-0.3 0.729 92.8 -0.5 -63.7 -25.0 20.9 34.9 14.8 28 29 A Y E -A 37 0A 64 9,-0.3 2,-0.3 255,-0.0 9,-0.2 -0.970 65.1-160.5-151.6 163.0 23.0 33.5 12.0 29 30 A S E -A 36 0A 11 7,-2.1 7,-2.7 -2,-0.3 2,-0.4 -0.941 9.1-144.5-141.8 167.0 25.5 34.6 9.4 30 31 A I E +A 35 0A 65 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.999 14.0 178.7-134.7 132.5 26.8 33.2 6.2 31 32 A V E > S-A 34 0A 1 3,-2.5 3,-2.4 -2,-0.4 2,-0.2 -0.984 71.7 -44.5-132.7 122.3 30.2 33.3 4.5 32 33 A G T 3 S- 0 0 63 -2,-0.4 119,-0.0 1,-0.3 0, 0.0 -0.375 125.9 -20.0 56.1-121.2 30.4 31.5 1.3 33 34 A S T 3 S+ 0 0 42 -2,-0.2 119,-3.1 -3,-0.1 2,-0.6 0.181 116.8 102.7-100.6 13.5 28.7 28.1 1.7 34 35 A Q E < -AB 31 151A 15 -3,-2.4 -3,-2.5 117,-0.2 2,-0.4 -0.907 47.7-172.5-112.1 119.1 29.0 28.3 5.5 35 36 A L E -AB 30 150A 3 115,-2.9 115,-2.6 -2,-0.6 2,-0.4 -0.882 7.7-176.2-107.2 132.0 26.1 29.1 7.8 36 37 A X E -AB 29 149A 10 -7,-2.7 -7,-2.1 -2,-0.4 113,-0.2 -0.993 12.8-143.5-136.0 130.7 26.7 29.6 11.4 37 38 A T E -A 28 0A 0 111,-2.5 -9,-0.3 -2,-0.4 2,-0.1 -0.446 14.0-126.2 -84.4 158.5 24.2 30.3 14.2 38 39 A S - 0 0 1 -11,-2.6 110,-0.3 1,-0.2 247,-0.1 -0.222 65.3 -45.9 -80.6-172.8 24.6 32.5 17.2 39 40 A G - 0 0 11 245,-0.7 2,-0.4 -2,-0.1 108,-0.2 -0.376 58.0-157.4 -68.7 134.6 23.9 30.9 20.6 40 41 A Q B -C 146 0A 14 106,-2.6 106,-2.2 -2,-0.1 30,-0.1 -0.909 8.1-154.1-116.1 139.2 20.8 28.8 20.9 41 42 A F - 0 0 11 -2,-0.4 2,-2.1 104,-0.2 32,-0.1 -0.664 30.5 -98.8-113.0 159.9 19.1 28.0 24.2 42 43 A P + 0 0 0 0, 0.0 7,-2.5 0, 0.0 8,-0.4 -0.464 60.3 161.7 -78.6 73.4 16.9 25.3 25.6 43 44 A Y E -F 48 0B 38 -2,-2.1 2,-0.4 26,-0.3 5,-0.2 -0.770 19.2-177.4 -92.6 138.1 13.6 27.2 25.1 44 45 A L E > S-F 47 0B 78 3,-2.4 3,-2.8 -2,-0.4 25,-0.0 -0.995 77.1 -13.1-134.1 128.5 10.2 25.5 25.1 45 46 A Q T 3 S- 0 0 181 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.884 129.9 -55.4 47.5 43.4 7.0 27.5 24.4 46 47 A G T 3 S+ 0 0 72 1,-0.2 2,-0.4 -29,-0.2 -1,-0.3 0.487 114.8 116.4 72.6 4.1 9.1 30.6 24.9 47 48 A K E < -F 44 0B 70 -3,-2.8 -3,-2.4 2,-0.0 2,-0.8 -0.900 69.2-127.8-106.6 132.7 10.3 29.6 28.4 48 49 A L E -F 43 0B 17 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.696 28.4-167.7 -75.8 110.9 14.0 28.9 29.2 49 50 A L + 0 0 66 -7,-2.5 2,-0.5 -2,-0.8 -1,-0.2 0.667 64.9 49.0 -81.8 -21.4 13.6 25.4 30.7 50 51 A Y + 0 0 39 -8,-0.4 93,-2.0 94,-0.1 2,-0.5 -0.948 57.3 163.7-128.0 106.8 17.0 24.8 32.2 51 52 A Q B +G 142 0C 96 -2,-0.5 2,-0.3 91,-0.3 91,-0.2 -0.923 49.4 35.6-126.2 106.0 18.5 27.5 34.4 52 53 A G S S- 0 0 2 89,-1.2 2,-0.4 -2,-0.5 47,-0.3 -0.995 85.4 -44.7 151.2-152.0 21.4 26.4 36.6 53 54 A Q >>> - 0 0 44 -2,-0.3 4,-3.1 45,-0.1 5,-1.6 -0.926 43.5-112.7-132.0 133.9 24.4 24.1 36.7 54 55 A L B 345S+hi 58 100D 0 45,-3.3 47,-3.0 -2,-0.4 50,-0.2 -0.419 105.0 17.1 -64.1 130.4 25.1 20.5 35.8 55 56 A G T 345S+ 0 0 41 3,-3.4 -1,-0.2 -2,-0.2 4,-0.1 0.080 129.3 52.1 94.7 -21.6 25.8 18.4 38.8 56 57 A A T <45S+ 0 0 57 -3,-1.4 -2,-0.2 2,-0.2 -1,-0.1 0.806 129.8 4.8-109.9 -51.1 24.3 20.9 41.2 57 58 A D T <5S+ 0 0 100 -4,-3.1 2,-0.4 1,-0.2 -3,-0.2 0.680 130.1 41.2-106.5 -29.6 20.8 21.8 39.8 58 59 A Y B - 0 0 75 -2,-0.4 4,-2.6 -5,-0.2 5,-0.2 -0.354 37.3 -99.9 -80.1 169.1 21.5 15.6 36.5 60 61 A V H > S+ 0 0 47 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.906 124.5 52.4 -59.2 -42.9 23.4 14.3 33.5 61 62 A S H > S+ 0 0 88 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.869 109.7 49.7 -65.2 -33.0 20.2 13.0 31.9 62 63 A E H > S+ 0 0 76 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.902 109.1 52.0 -69.2 -39.1 18.6 16.5 32.4 63 64 A G H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.897 108.2 51.6 -58.7 -44.5 21.7 18.0 30.8 64 65 A Y H X S+ 0 0 71 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.945 110.3 48.4 -56.0 -48.3 21.2 15.7 27.8 65 66 A A H X S+ 0 0 35 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.908 111.4 51.4 -60.0 -40.4 17.6 16.8 27.5 66 67 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.922 110.5 46.6 -64.0 -46.2 18.7 20.4 27.7 67 68 A C H X S+ 0 0 0 -4,-2.5 4,-1.9 43,-0.2 -1,-0.2 0.856 111.5 52.9 -66.3 -36.0 21.3 20.1 24.9 68 69 A R H X S+ 0 0 58 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.926 111.6 45.6 -60.7 -45.8 18.7 18.2 22.8 69 70 A L H X S+ 0 0 21 -4,-2.3 4,-2.1 2,-0.2 -26,-0.3 0.893 111.4 51.1 -69.0 -40.3 16.2 21.0 23.3 70 71 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.888 110.9 50.4 -60.9 -37.9 18.8 23.8 22.5 71 72 A T H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.879 106.0 54.4 -70.2 -36.9 19.7 21.8 19.4 72 73 A L H X S+ 0 0 14 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.913 109.1 49.5 -60.6 -39.6 16.0 21.6 18.4 73 74 A N H X S+ 0 0 1 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.930 109.7 50.7 -60.1 -46.3 16.0 25.4 18.7 74 75 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.896 108.6 51.5 -60.3 -42.2 19.1 25.6 16.6 75 76 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.901 105.7 56.0 -63.4 -37.7 17.5 23.4 13.9 76 77 A A H X S+ 0 0 6 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.914 107.7 49.1 -57.0 -41.2 14.5 25.8 14.0 77 78 A Q H X S+ 0 0 1 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.902 110.6 50.0 -66.1 -41.7 16.9 28.6 13.2 78 79 A L H X S+ 0 0 2 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.876 108.5 52.2 -64.2 -39.2 18.5 26.6 10.3 79 80 A K H X S+ 0 0 55 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.876 107.8 52.0 -66.4 -36.0 15.1 25.8 8.8 80 81 A Q H < S+ 0 0 118 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.896 114.1 43.2 -63.3 -43.7 14.2 29.5 8.9 81 82 A A H < S+ 0 0 30 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.892 126.5 29.7 -69.8 -40.4 17.4 30.4 7.0 82 83 A C H < S- 0 0 21 -4,-2.7 2,-2.1 -5,-0.2 -2,-0.2 0.608 84.2-146.6-104.2 -13.5 17.3 27.6 4.5 83 84 A G S < S+ 0 0 34 -4,-2.3 2,-0.5 -5,-0.3 -1,-0.1 -0.282 85.0 43.6 81.7 -57.2 13.6 26.9 4.0 84 85 A E S > S- 0 0 86 -2,-2.1 3,-2.4 -6,-0.1 4,-0.3 -0.978 72.7-149.6-123.7 119.5 14.0 23.2 3.4 85 86 A L G > S+ 0 0 1 -2,-0.5 3,-1.2 1,-0.3 -1,-0.1 0.688 93.4 72.5 -65.3 -19.6 16.4 21.3 5.7 86 87 A S G 3 S+ 0 0 73 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.717 84.6 68.2 -62.1 -20.5 17.2 18.9 2.9 87 88 A R G < S+ 0 0 162 -3,-2.4 2,-0.5 -5,-0.1 -1,-0.2 0.664 75.8 98.8 -76.4 -14.2 19.1 21.7 1.2 88 89 A I < - 0 0 9 -3,-1.2 64,-0.2 -4,-0.3 3,-0.2 -0.616 59.1-162.3 -73.4 121.6 21.8 21.5 4.0 89 90 A K - 0 0 132 62,-2.4 2,-0.3 -2,-0.5 -1,-0.2 0.896 68.6 -16.9 -72.3 -41.3 24.7 19.5 2.7 90 91 A Q E -D 151 0A 40 61,-1.0 61,-3.1 -3,-0.1 2,-0.9 -0.964 43.5-135.9-162.0 146.0 26.1 18.9 6.2 91 92 A I E +D 150 0A 0 34,-2.5 59,-0.2 -2,-0.3 3,-0.1 -0.914 39.9 175.0 -93.5 94.2 26.0 20.1 9.8 92 93 A Y E + 0 0 5 -2,-0.9 37,-2.4 57,-0.8 2,-0.3 0.649 52.6 30.2 -86.3 -14.9 29.7 19.8 10.0 93 94 A R E -De 149 129A 2 56,-1.3 56,-2.0 35,-0.3 2,-0.4 -0.997 51.3-170.3-151.8 137.2 30.3 21.3 13.4 94 95 A L E -De 148 130A 0 35,-1.9 37,-1.9 -2,-0.3 2,-0.4 -0.988 9.2-172.6-119.5 133.7 28.5 21.5 16.8 95 96 A E E -De 147 131A 12 52,-2.7 52,-2.2 -2,-0.4 2,-0.4 -0.986 11.1-178.0-130.4 122.7 29.9 23.8 19.5 96 97 A G E -De 146 132A 0 35,-2.0 37,-1.9 -2,-0.4 2,-0.4 -0.951 15.6-161.2-128.8 140.7 28.3 23.6 23.0 97 98 A V E -De 145 133A 1 48,-2.7 48,-2.0 -2,-0.4 2,-0.3 -0.968 13.1-178.1-119.2 132.6 28.8 25.4 26.3 98 99 A L E -De 144 134A 0 35,-2.2 37,-1.8 -2,-0.4 2,-0.6 -0.955 28.5-129.8-125.2 149.9 27.6 24.0 29.6 99 100 A N - 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