==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 16-NOV-04 1Y12 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN PA0085; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA PAO1; . AUTHOR M.E.CUFF,M.ZHOU,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL G . 477 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24646.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 318 66.7 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 . 196 41.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 45 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 5.9 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 0 0 0 3 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 . 4 6 4 2 0 10 3 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 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 A 0 0 61 0, 0.0 437,-0.3 0, 0.0 88,-0.2 0.000 360.0 360.0 360.0 140.6 49.4 49.3 16.0 2 3 A V - 0 0 11 435,-1.8 2,-0.4 432,-0.2 85,-0.2 -0.277 360.0-124.8 -67.7 149.8 47.0 50.3 18.8 3 4 A D E -A 86 0A 57 83,-2.5 83,-3.1 87,-0.1 2,-0.4 -0.829 28.6-164.5 -95.5 138.4 46.5 54.0 19.6 4 5 A X E +A 85 0A 10 -2,-0.4 22,-2.5 22,-0.3 2,-0.3 -0.983 12.9 168.2-134.9 133.2 47.0 55.0 23.2 5 6 A F E -AB 84 25A 7 79,-2.4 79,-2.8 -2,-0.4 2,-0.4 -0.963 15.1-157.5-139.5 152.7 46.1 58.1 25.2 6 7 A I E -AB 83 24A 2 18,-2.3 18,-2.8 -2,-0.3 2,-0.5 -0.997 2.0-162.7-136.8 134.9 46.0 59.2 28.9 7 8 A K E -A 82 0A 79 75,-2.1 75,-2.6 -2,-0.4 2,-0.6 -0.966 9.4-171.1-112.9 115.7 43.9 61.9 30.5 8 9 A I E > -A 81 0A 1 -2,-0.5 3,-2.3 3,-0.4 73,-0.2 -0.944 56.8 -58.4-111.3 115.7 45.2 63.0 33.9 9 10 A G T 3 S- 0 0 13 71,-2.9 73,-0.1 -2,-0.6 69,-0.0 -0.236 106.3 -38.5 50.6-132.5 42.8 65.4 35.8 10 11 A D T 3 S+ 0 0 148 2,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.112 98.8 137.6-104.5 17.6 42.2 68.4 33.7 11 12 A V < - 0 0 17 -3,-2.3 2,-0.5 1,-0.1 -3,-0.4 -0.486 48.4-137.9 -69.6 126.9 45.9 68.5 32.5 12 13 A K - 0 0 100 -2,-0.3 11,-0.2 51,-0.1 2,-0.1 -0.761 22.7-179.4 -88.9 126.7 46.2 69.3 28.8 13 14 A G - 0 0 0 9,-2.0 11,-0.2 -2,-0.5 -6,-0.0 -0.255 39.3-102.0 -98.4-161.5 48.7 67.3 26.7 14 15 A E + 0 0 98 -2,-0.1 10,-0.2 8,-0.1 7,-0.1 0.125 58.8 148.1-117.9 20.8 49.3 67.8 22.9 15 16 A S - 0 0 6 8,-2.3 7,-2.5 5,-0.2 -2,-0.1 -0.303 31.8-163.7 -57.5 136.2 47.4 64.9 21.3 16 17 A K + 0 0 201 5,-0.2 5,-0.2 6,-0.1 -1,-0.1 0.183 43.2 136.6-105.3 12.5 46.0 65.8 17.9 17 18 A D - 0 0 27 3,-0.3 4,-0.4 1,-0.1 6,-0.1 -0.347 62.2-126.1 -61.5 140.0 43.7 62.8 18.0 18 19 A K S S+ 0 0 163 1,-0.2 3,-0.2 2,-0.2 -1,-0.1 0.897 105.6 20.7 -57.9 -44.9 40.2 63.6 16.8 19 20 A T S S+ 0 0 73 1,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.667 127.9 47.7-101.6 -19.5 38.4 62.2 19.9 20 21 A H S > S+ 0 0 14 3,-0.1 3,-1.8 2,-0.0 -3,-0.3 -0.007 80.0 165.1-107.2 31.6 41.3 62.3 22.5 21 22 A A T 3 + 0 0 54 -4,-0.4 -5,-0.2 1,-0.3 3,-0.1 -0.170 65.9 7.8 -48.2 130.1 42.3 65.9 21.5 22 23 A E T 3 S+ 0 0 89 -7,-2.5 -9,-2.0 1,-0.2 -1,-0.3 0.678 99.2 117.7 64.3 22.6 44.6 67.5 24.1 23 24 A E S < S- 0 0 24 -3,-1.8 -8,-2.3 -11,-0.2 2,-0.5 -0.402 77.9 -83.9 -91.5-175.7 45.1 64.4 26.1 24 25 A I E -B 6 0A 1 -18,-2.8 -18,-2.3 -11,-0.2 2,-0.3 -0.839 36.5-127.1 -95.8 127.3 48.6 62.9 26.5 25 26 A D E -B 5 0A 48 -2,-0.5 2,-0.5 -20,-0.2 35,-0.5 -0.575 24.2-146.2 -66.6 126.8 49.9 60.6 23.7 26 27 A V E -C 59 0A 9 -22,-2.5 -22,-0.3 -2,-0.3 33,-0.2 -0.878 21.0-179.9-104.3 123.2 51.1 57.3 25.2 27 28 A L E S- 0 0 53 31,-3.1 2,-0.3 -2,-0.5 32,-0.2 0.731 71.7 -14.2 -91.7 -26.4 54.1 55.6 23.6 28 29 A A E -C 58 0A 21 30,-0.8 30,-2.9 406,-0.1 -1,-0.4 -0.945 61.9-171.0-167.6 156.9 54.3 52.6 26.0 29 30 A W E -CD 57 433A 8 404,-2.6 404,-2.7 -2,-0.3 2,-0.3 -0.981 2.1-169.4-153.9 158.1 52.9 51.6 29.4 30 31 A S E +CD 56 432A 61 26,-2.5 26,-2.6 -2,-0.3 2,-0.3 -0.990 11.6 161.6-149.0 150.8 53.3 48.8 31.9 31 32 A W E + D 0 431A 4 400,-2.5 400,-2.8 -2,-0.3 2,-0.3 -0.979 6.3 168.7-163.1 160.0 51.5 47.8 35.0 32 33 A G E - D 0 430A 1 -2,-0.3 21,-2.5 398,-0.2 2,-0.3 -0.991 16.3-156.4-168.6 173.4 51.1 44.8 37.3 33 34 A X E -ED 52 429A 1 396,-2.2 396,-2.2 -2,-0.3 2,-0.3 -0.969 8.4-160.7-156.2 158.6 49.9 43.2 40.5 34 35 A S E -ED 51 428A 48 17,-2.0 17,-3.1 -2,-0.3 2,-0.4 -0.973 10.3-142.2-146.0 157.5 50.8 40.2 42.6 35 36 A Q E -E 50 0A 15 392,-2.9 15,-0.2 -2,-0.3 358,-0.1 -0.986 0.9-160.3-126.8 128.9 49.1 38.0 45.3 36 37 A S + 0 0 81 13,-2.2 14,-0.1 -2,-0.4 -1,-0.1 0.527 54.6 117.6 -88.1 -8.2 51.0 36.6 48.3 37 38 A G - 0 0 8 12,-0.2 2,-0.4 1,-0.1 10,-0.2 -0.127 53.2-144.1 -56.8 156.9 48.4 33.9 49.1 38 39 A S > - 0 0 30 8,-2.7 3,-0.5 1,-0.1 4,-0.3 -0.991 23.5-165.8-135.9 132.8 49.5 30.3 48.9 39 40 A X T 3 S+ 0 0 21 -2,-0.4 437,-0.2 1,-0.2 -1,-0.1 0.402 84.4 76.8 -87.7 -0.2 47.8 27.1 47.8 40 41 A H T 3 S+ 0 0 52 1,-0.1 -1,-0.2 6,-0.1 409,-0.0 0.472 87.8 57.8 -89.5 -1.1 50.5 24.9 49.5 41 42 A X S < S+ 0 0 139 -3,-0.5 -1,-0.1 5,-0.1 -2,-0.1 0.815 76.3 177.2-102.3 -35.4 49.2 25.4 53.0 42 43 A G + 0 0 20 -4,-0.3 -2,-0.1 1,-0.1 -4,-0.1 0.030 42.2 102.6 61.5-169.9 45.6 24.1 53.0 43 44 A G 0 0 96 3,-0.1 -1,-0.1 0, 0.0 0, 0.0 0.463 360.0 360.0 74.1 2.4 43.2 23.9 55.9 44 45 A G 0 0 102 2,-0.0 3,-0.2 0, 0.0 0, 0.0 -0.134 360.0 360.0 89.5 360.0 41.4 27.0 54.7 45 ! 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 46 47 A G 0 0 26 0, 0.0 -8,-2.7 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 55.9 47.1 30.4 53.3 47 48 A A + 0 0 110 -10,-0.2 2,-0.2 -3,-0.2 348,-0.1 -0.472 360.0 159.0 -75.2 136.3 45.4 33.7 52.9 48 49 A G - 0 0 40 -2,-0.2 2,-0.3 347,-0.1 -1,-0.1 -0.473 30.6-100.1-133.2-156.2 47.4 36.7 51.7 49 50 A K - 0 0 151 -2,-0.2 -13,-2.2 -12,-0.0 2,-0.3 -0.930 24.4-108.9-136.7 159.4 47.0 40.1 50.0 50 51 A V E -E 35 0A 18 343,-0.3 2,-0.5 -2,-0.3 -15,-0.2 -0.679 20.8-156.5 -83.3 139.5 47.3 41.8 46.7 51 52 A N E -E 34 0A 99 -17,-3.1 -17,-2.0 -2,-0.3 2,-0.5 -0.989 10.9-159.0-110.5 119.2 50.1 44.2 45.9 52 53 A V E -E 33 0A 20 -2,-0.5 -19,-0.2 -19,-0.2 2,-0.1 -0.875 10.8-140.1-101.0 126.4 49.1 46.6 43.1 53 54 A Q - 0 0 82 -21,-2.5 -21,-0.1 -2,-0.5 2,-0.1 -0.349 24.9 -96.9 -76.1 160.2 52.0 48.3 41.3 54 55 A D - 0 0 52 73,-0.1 2,-0.5 -23,-0.1 -22,-0.2 -0.408 43.5-111.8 -63.1 151.0 52.1 51.9 40.2 55 56 A L E - F 0 126A 0 71,-2.0 71,-2.6 -24,-0.1 2,-0.4 -0.830 32.2-158.8 -91.2 129.6 51.2 52.4 36.5 56 57 A S E +CF 30 125A 38 -26,-2.6 -26,-2.5 -2,-0.5 2,-0.3 -0.861 14.2 172.6-105.6 140.1 54.1 53.5 34.3 57 58 A F E -CF 29 124A 1 67,-2.5 67,-2.8 -2,-0.4 2,-0.4 -0.990 24.7-134.4-144.0 156.4 53.8 55.1 30.9 58 59 A T E +CF 28 123A 31 -30,-2.9 -31,-3.1 -2,-0.3 -30,-0.8 -0.899 31.3 163.8-110.5 139.0 56.0 56.8 28.3 59 60 A K E -CF 26 122A 0 63,-2.3 63,-2.5 -2,-0.4 2,-0.3 -0.902 40.7 -94.9-142.0 164.7 55.1 60.1 26.6 60 61 A Y E - F 0 121A 57 -35,-0.5 61,-0.3 -2,-0.3 2,-0.2 -0.645 50.5 -99.5 -74.7 144.1 56.7 62.9 24.6 61 62 A I S S+ 0 0 68 59,-2.3 2,-0.2 -2,-0.3 59,-0.1 -0.540 70.3 145.8 -55.2 128.4 57.9 65.9 26.6 62 63 A D > - 0 0 21 -2,-0.2 3,-2.1 -3,-0.0 -49,-0.0 -0.869 64.4 -60.6-158.0-172.9 55.0 68.3 26.1 63 64 A K T 3 S+ 0 0 108 1,-0.3 4,-0.4 -2,-0.2 -51,-0.1 0.662 126.9 59.4 -61.7 -15.7 52.9 71.0 27.7 64 65 A S T 3> S+ 0 0 0 1,-0.1 4,-2.5 2,-0.1 3,-0.3 0.721 83.5 86.6 -78.4 -22.2 51.8 68.6 30.4 65 66 A T H <> S+ 0 0 9 -3,-2.1 4,-2.4 1,-0.2 5,-0.2 0.878 88.5 43.6 -51.2 -53.9 55.4 68.0 31.5 66 67 A P H > S+ 0 0 81 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.874 114.4 51.8 -62.5 -35.3 55.7 71.0 34.0 67 68 A N H > S+ 0 0 82 -4,-0.4 4,-2.3 -3,-0.3 -2,-0.2 0.891 110.5 47.3 -64.8 -41.7 52.3 70.3 35.5 68 69 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.877 111.2 52.2 -66.5 -38.3 53.2 66.6 36.1 69 70 A X H X S+ 0 0 76 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.893 110.6 48.0 -63.3 -40.4 56.5 67.7 37.6 70 71 A X H X S+ 0 0 131 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.900 110.4 50.7 -67.4 -41.9 54.6 70.1 40.0 71 72 A A H X>S+ 0 0 6 -4,-2.3 4,-2.0 2,-0.2 5,-0.7 0.935 111.2 49.5 -58.4 -47.2 52.1 67.4 40.9 72 73 A C H <5S+ 0 0 44 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.916 116.3 41.8 -57.1 -45.6 55.0 65.0 41.7 73 74 A S H <5S+ 0 0 101 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.897 119.1 41.9 -72.5 -43.6 56.8 67.7 43.8 74 75 A S H <5S- 0 0 51 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.727 98.5-135.3 -76.7 -23.0 53.7 69.0 45.7 75 76 A G T <5 + 0 0 41 -4,-2.0 2,-0.4 -5,-0.3 -3,-0.2 0.698 49.7 154.3 71.8 22.2 52.3 65.6 46.2 76 77 A K < - 0 0 147 -5,-0.7 30,-0.4 -6,-0.3 -1,-0.3 -0.685 33.9-139.8 -85.8 131.6 48.9 66.8 45.2 77 78 A H - 0 0 106 -2,-0.4 28,-0.2 28,-0.1 51,-0.1 -0.554 1.7-132.9 -96.1 156.3 46.6 64.2 43.8 78 79 A Y E - G 0 104A 37 26,-2.7 26,-3.2 -2,-0.2 25,-0.3 -0.730 18.9-126.5 -98.0 150.7 44.2 64.3 40.8 79 80 A P E S+ 0 0 92 0, 0.0 24,-2.3 0, 0.0 2,-0.3 0.923 86.0 2.0 -60.7 -42.6 40.7 62.9 41.1 80 81 A Q E - G 0 102A 76 22,-0.2 -71,-2.9 23,-0.1 2,-0.3 -0.986 49.6-167.9-149.3 149.4 41.0 60.7 38.1 81 82 A A E -AG 8 101A 0 20,-2.2 20,-3.2 -2,-0.3 2,-0.5 -0.989 15.4-162.4-133.5 137.8 43.4 59.4 35.3 82 83 A K E -AG 7 100A 82 -75,-2.6 -75,-2.1 -2,-0.3 2,-0.6 -0.955 5.7-164.6-128.4 118.6 42.1 57.5 32.3 83 84 A L E -AG 6 99A 3 16,-3.1 16,-2.9 -2,-0.5 2,-0.5 -0.875 12.7-166.8 -99.5 122.0 44.3 55.3 30.0 84 85 A T E -AG 5 98A 1 -79,-2.8 -79,-2.4 -2,-0.6 2,-0.5 -0.936 9.2-168.9-114.2 128.1 42.6 54.4 26.7 85 86 A I E -AG 4 97A 0 12,-2.7 12,-1.6 -2,-0.5 11,-0.4 -0.977 14.0-171.6-114.9 121.4 43.9 51.8 24.3 86 87 A R E -A 3 0A 2 -83,-3.1 -83,-2.5 -2,-0.5 9,-0.2 -0.918 28.0-106.2-120.0 138.9 42.1 51.8 20.9 87 88 A K > - 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