==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 17-OCT-05 2BBE . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN SO0527; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA ONEIDENSIS; . AUTHOR C.CHANG,L.BIGELOW,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL . 103 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6901.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 72 69.9 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 . 31 30.1 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 . 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 . 6 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.9 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 1 1 0 0 1 2 0 0 0 0 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 1 0 0 0 0 1 2 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 . 1 0 1 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 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 6 A D 0 0 183 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -30.6 0.7 7.4 -21.1 2 7 A Y - 0 0 141 101,-0.2 2,-0.4 2,-0.0 101,-0.2 -0.986 360.0-156.0-146.8 157.8 0.3 8.8 -17.6 3 8 A K E -A 102 0A 166 99,-2.3 99,-2.8 -2,-0.3 2,-0.4 -0.986 18.2-133.1-137.1 128.8 -2.2 10.8 -15.5 4 9 A I E -A 101 0A 68 -2,-0.4 2,-0.8 97,-0.2 97,-0.2 -0.622 20.7-131.6 -74.8 127.9 -1.5 13.0 -12.5 5 10 A N - 0 0 39 95,-3.2 95,-0.4 -2,-0.4 -1,-0.0 -0.771 22.3-170.7 -79.2 111.5 -4.0 12.3 -9.6 6 11 A Q S S+ 0 0 129 -2,-0.8 -1,-0.1 1,-0.1 -2,-0.0 0.493 74.3 50.1 -86.0 -3.8 -5.0 15.9 -8.7 7 12 A Q S S+ 0 0 118 93,-0.1 59,-0.3 58,-0.1 -1,-0.1 0.892 90.0 71.9 -99.0 -57.6 -6.9 14.9 -5.5 8 13 A Q S S- 0 0 57 57,-0.1 2,-0.5 92,-0.1 92,-0.3 -0.290 70.3-140.3 -68.7 150.4 -4.7 12.6 -3.3 9 14 A I E -B 63 0B 10 54,-2.5 54,-2.7 56,-0.1 2,-0.4 -0.954 12.2-165.7-121.3 125.5 -1.8 14.2 -1.5 10 15 A V E -BC 62 98B 23 88,-2.7 88,-2.7 -2,-0.5 2,-0.4 -0.865 9.2-170.9-103.8 140.5 1.6 12.6 -1.0 11 16 A C E -BC 61 97B 2 50,-2.1 50,-3.0 -2,-0.4 2,-0.5 -0.998 13.5-170.2-134.5 135.5 4.1 14.0 1.5 12 17 A V E +BC 60 96B 48 84,-2.6 84,-2.2 -2,-0.4 2,-0.5 -0.991 11.9 179.8-118.6 122.2 7.7 13.2 2.2 13 18 A A E -BC 59 95B 4 46,-2.2 46,-3.0 -2,-0.5 2,-0.4 -0.963 4.5-171.7-128.9 111.9 9.1 14.8 5.4 14 19 A S E -BC 58 94B 25 80,-2.5 80,-2.4 -2,-0.5 2,-0.4 -0.856 3.2-166.0-110.5 142.6 12.7 14.1 6.3 15 20 A F E -BC 57 93B 13 42,-2.6 42,-2.6 -2,-0.4 2,-0.7 -0.995 10.4-152.6-131.7 125.6 14.4 15.1 9.5 16 21 A L E -BC 56 92B 23 76,-3.2 75,-3.1 -2,-0.4 76,-1.1 -0.879 23.9-140.3 -98.7 112.5 18.2 15.1 10.2 17 22 A S E - C 0 90B 0 38,-2.8 73,-0.3 -2,-0.7 5,-0.1 -0.240 16.2-110.3 -69.0 154.6 18.8 14.5 13.9 18 23 A K > - 0 0 88 71,-2.8 3,-2.1 1,-0.2 4,-0.2 -0.396 57.5 -70.0 -66.3 160.3 21.5 16.4 15.9 19 24 A E T 3 S+ 0 0 154 1,-0.3 -1,-0.2 2,-0.1 36,-0.0 -0.341 124.1 10.2 -52.3 130.8 24.5 14.3 17.0 20 25 A G T 3 S+ 0 0 76 -3,-0.1 -1,-0.3 1,-0.1 4,-0.2 0.467 109.3 90.3 77.2 3.7 23.3 11.9 19.8 21 26 A K <> + 0 0 91 -3,-2.1 4,-2.3 68,-0.1 5,-0.1 0.307 50.1 100.9-112.8 7.3 19.6 12.6 19.2 22 27 A T H > S+ 0 0 26 -4,-0.2 4,-2.6 2,-0.2 5,-0.2 0.935 84.1 45.5 -65.3 -49.1 18.8 9.9 16.6 23 28 A E H > S+ 0 0 150 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.917 114.4 50.1 -59.2 -43.5 17.1 7.4 18.9 24 29 A A H > S+ 0 0 46 -4,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.886 111.3 49.9 -59.3 -39.4 15.1 10.2 20.6 25 30 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.930 109.2 49.3 -67.9 -45.3 14.0 11.5 17.2 26 31 A I H X S+ 0 0 42 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.936 113.6 48.4 -58.4 -46.8 12.8 8.0 15.9 27 32 A A H X S+ 0 0 63 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.904 111.0 49.5 -58.5 -44.0 10.9 7.6 19.2 28 33 A A H < S+ 0 0 18 -4,-2.3 4,-0.4 2,-0.2 -2,-0.2 0.905 116.0 42.4 -63.4 -44.8 9.3 11.1 18.9 29 34 A L H >< S+ 0 0 1 -4,-2.6 3,-1.3 1,-0.2 4,-0.4 0.896 112.2 53.6 -69.7 -41.5 8.2 10.5 15.3 30 35 A A H >< S+ 0 0 40 -4,-2.9 3,-1.4 -5,-0.3 -1,-0.2 0.833 98.0 65.6 -64.4 -29.7 7.0 7.0 16.0 31 36 A S T 3< S+ 0 0 84 -4,-1.7 4,-0.4 1,-0.3 -1,-0.3 0.733 96.8 57.6 -63.5 -21.5 4.8 8.3 18.8 32 37 A L T <> S+ 0 0 12 -3,-1.3 4,-1.4 -4,-0.4 -1,-0.3 0.634 89.0 79.0 -80.1 -16.6 2.8 10.1 16.1 33 38 A I H <> S+ 0 0 35 -3,-1.4 4,-2.8 -4,-0.4 5,-0.3 0.916 82.2 54.4 -68.5 -50.8 1.9 7.0 14.1 34 39 A P H > S+ 0 0 60 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.911 115.1 39.8 -56.0 -43.9 -1.0 5.3 16.0 35 40 A D H 4 S+ 0 0 118 -4,-0.4 -2,-0.2 1,-0.2 4,-0.2 0.825 114.8 52.7 -74.3 -30.8 -3.2 8.4 16.1 36 41 A T H >< S+ 0 0 3 -4,-1.4 3,-1.8 1,-0.2 6,-0.2 0.921 106.0 52.6 -69.0 -42.4 -2.4 9.4 12.5 37 42 A R H 3< S+ 0 0 166 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.780 105.1 58.6 -62.5 -25.3 -3.2 6.0 11.1 38 43 A R T 3< S+ 0 0 177 -4,-0.9 -1,-0.3 -5,-0.3 2,-0.3 0.454 79.3 112.2 -84.8 -3.3 -6.6 6.3 12.8 39 44 A E S X S- 0 0 25 -3,-1.8 3,-1.4 -4,-0.2 -3,-0.0 -0.553 73.2-131.5 -67.3 133.0 -7.4 9.6 10.9 40 45 A A T 3 S+ 0 0 113 1,-0.3 -1,-0.1 -2,-0.3 28,-0.0 0.835 105.9 42.8 -55.8 -36.7 -10.3 9.0 8.5 41 46 A G T 3 S+ 0 0 13 27,-0.1 23,-2.5 22,-0.1 2,-0.5 0.363 86.9 108.5 -97.9 5.9 -8.4 10.7 5.6 42 47 A C E < +D 63 0B 20 -3,-1.4 21,-0.2 21,-0.2 3,-0.1 -0.729 33.3 168.8 -82.9 123.5 -4.9 9.1 6.3 43 48 A I E + 0 0 82 19,-2.9 2,-0.3 -2,-0.5 20,-0.2 0.810 69.2 7.0 -96.0 -41.5 -4.0 6.5 3.6 44 49 A R E +D 62 0B 88 18,-2.2 18,-2.4 2,-0.0 -1,-0.4 -0.999 50.6 168.3-148.6 137.8 -0.4 6.0 4.5 45 50 A Y E +D 61 0B 12 -2,-0.3 2,-0.4 16,-0.2 16,-0.2 -0.593 21.2 168.9-152.8 85.4 1.9 7.1 7.3 46 51 A E E -D 60 0B 102 14,-2.9 14,-3.0 -2,-0.1 2,-0.3 -0.868 22.1-149.3-113.8 130.6 5.2 5.2 7.2 47 52 A L E -D 59 0B 41 -2,-0.4 2,-0.3 12,-0.2 12,-0.2 -0.751 18.4-175.5 -98.6 145.2 8.4 6.0 9.2 48 53 A N E -D 58 0B 68 10,-1.4 10,-2.9 -2,-0.3 2,-0.5 -0.996 19.1-145.8-145.5 139.7 11.8 5.1 7.8 49 54 A V E -D 57 0B 85 -2,-0.3 8,-0.2 8,-0.2 2,-0.1 -0.938 32.9-113.0-111.1 131.0 15.5 5.3 9.0 50 55 A S - 0 0 30 6,-2.5 6,-0.1 -2,-0.5 -2,-0.0 -0.373 16.8-163.7 -66.7 134.1 18.2 6.0 6.4 51 56 A R S S+ 0 0 232 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.0 0.643 95.0 45.7 -81.2 -20.4 20.7 3.4 5.5 52 57 A D S S+ 0 0 149 1,-0.3 -1,-0.1 4,-0.1 -2,-0.0 0.775 126.8 21.8 -94.8 -32.1 22.9 6.1 4.0 53 58 A E S > S- 0 0 71 3,-0.1 3,-2.8 1,-0.1 -3,-0.4 -0.854 70.7-162.8-136.1 92.8 22.8 8.8 6.7 54 59 A P T 3 S+ 0 0 94 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.665 86.7 62.8 -66.9 -8.4 21.8 7.1 9.9 55 60 A R T 3 S+ 0 0 85 -38,-0.1 -38,-2.8 -6,-0.1 2,-0.4 0.571 86.7 95.8 -78.9 -11.7 20.9 10.5 11.6 56 61 A R E < +B 16 0B 87 -3,-2.8 -6,-2.5 -40,-0.2 2,-0.4 -0.712 49.8 178.8 -87.3 128.5 18.1 10.9 8.9 57 62 A V E -BD 15 49B 0 -42,-2.6 -42,-2.6 -2,-0.4 2,-0.4 -0.995 11.3-169.5-127.4 131.7 14.5 9.7 9.8 58 63 A T E -BD 14 48B 25 -10,-2.9 -10,-1.4 -2,-0.4 2,-0.4 -0.979 17.5-145.9-135.1 131.7 11.8 10.2 7.1 59 64 A F E -BD 13 47B 2 -46,-3.0 -46,-2.2 -2,-0.4 2,-0.5 -0.802 8.0-162.1 -90.5 136.1 8.0 10.0 6.9 60 65 A V E +BD 12 46B 41 -14,-3.0 -14,-2.9 -2,-0.4 2,-0.3 -0.983 26.6 176.3-116.0 118.4 6.4 8.8 3.7 61 66 A E E -BD 11 45B 10 -50,-3.0 -50,-2.1 -2,-0.5 2,-0.3 -0.854 24.8-172.7-130.6 156.0 2.7 9.8 3.8 62 67 A K E -BD 10 44B 20 -18,-2.4 -19,-2.9 -2,-0.3 -18,-2.2 -0.967 7.5-175.3-150.3 136.4 -0.5 9.8 1.7 63 68 A F E -BD 9 42B 0 -54,-2.7 -54,-2.5 -2,-0.3 -21,-0.2 -0.917 37.7-114.9-130.8 153.3 -3.9 11.4 2.4 64 69 A V S S- 0 0 49 -23,-2.5 2,-0.3 -2,-0.3 -22,-0.1 0.779 90.9 -24.8 -61.6 -27.3 -7.2 11.3 0.6 65 70 A D S > S- 0 0 54 -24,-0.3 4,-1.9 -57,-0.1 -56,-0.1 -0.966 74.0 -82.0-171.4 176.8 -7.0 15.1 -0.3 66 71 A I H > S+ 0 0 86 -59,-0.3 4,-3.0 -2,-0.3 5,-0.2 0.872 122.5 58.3 -66.9 -35.1 -5.5 18.4 0.8 67 72 A A H > S+ 0 0 61 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.931 108.5 46.6 -57.4 -42.0 -8.2 19.0 3.4 68 73 A A H > S+ 0 0 8 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.892 112.3 49.9 -68.8 -38.5 -7.2 15.7 5.1 69 74 A F H X S+ 0 0 23 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.936 112.3 47.8 -61.1 -47.4 -3.5 16.7 4.9 70 75 A D H X S+ 0 0 91 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.897 110.3 52.2 -61.9 -41.1 -4.3 20.1 6.4 71 76 A E H < S+ 0 0 130 -4,-2.4 4,-0.4 -5,-0.2 3,-0.3 0.922 109.9 49.4 -58.4 -46.9 -6.4 18.5 9.2 72 77 A H H >< S+ 0 0 4 -4,-2.2 3,-1.5 1,-0.2 6,-0.2 0.925 109.2 51.7 -56.4 -50.2 -3.4 16.2 10.0 73 78 A C H 3< S+ 0 0 44 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.752 107.6 53.0 -63.4 -25.0 -1.0 19.1 10.1 74 79 A A T 3< S+ 0 0 62 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.440 81.0 120.7 -89.5 -3.3 -3.2 21.0 12.6 75 80 A K S <> S- 0 0 97 -3,-1.5 4,-2.5 -4,-0.4 3,-0.5 -0.402 72.2-121.8 -62.5 142.5 -3.5 18.1 15.1 76 81 A D H > S+ 0 0 144 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.865 110.4 49.4 -52.2 -47.0 -2.2 18.9 18.6 77 82 A A H > S+ 0 0 53 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.849 111.9 49.0 -66.1 -33.1 0.5 16.1 18.6 78 83 A I H > S+ 0 0 24 -3,-0.5 4,-2.4 -6,-0.2 -2,-0.2 0.934 113.3 45.7 -71.1 -46.2 1.8 17.2 15.2 79 84 A Q H X S+ 0 0 79 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.880 111.9 52.8 -64.1 -38.1 2.0 20.9 16.2 80 85 A H H X>S+ 0 0 109 -4,-2.7 4,-2.8 -5,-0.3 5,-1.5 0.923 108.8 50.2 -61.8 -45.6 3.6 19.8 19.5 81 86 A Y H X>S+ 0 0 14 -4,-2.1 5,-3.2 3,-0.2 4,-0.7 0.970 115.5 41.9 -54.5 -55.0 6.2 17.8 17.6 82 87 A F H <5S+ 0 0 106 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.939 125.0 34.7 -57.7 -51.4 7.0 20.8 15.2 83 88 A H H <5S+ 0 0 103 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.816 134.1 16.0 -75.2 -39.7 7.0 23.5 18.0 84 89 A Q H <5S+ 0 0 114 -4,-2.8 4,-0.3 -5,-0.3 -3,-0.2 0.773 127.9 36.5-110.6 -37.9 8.4 21.7 21.0 85 90 A V T >X