==== 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 28-JAN-05 1YOX . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN PA3696; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR J.R.WALKER,X.XU,J.GU,A.JOACHIMIAK,A.EDWARDS,A.SAVCHENKO,MIDW . 1179 20 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45242.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 900 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 552 46.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 144 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 1 1 0 0 0 0 1 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 8 29 9 21 2 16 0 0 0 0 3 2 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 4 4 0 0 0 4 1 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 5 A E 0 0 126 0, 0.0 2,-0.3 0, 0.0 21,-0.1 0.000 360.0 360.0 360.0 -86.3 31.4 105.3 52.1 2 6 A L - 0 0 3 16,-0.1 2,-0.3 21,-0.0 16,-0.1 -0.493 360.0-154.1 -82.5 132.5 33.4 102.7 54.1 3 7 A D E +A 17 0A 38 14,-1.0 14,-2.5 -2,-0.3 2,-0.3 -0.687 26.3 170.0 -89.2 154.7 32.1 99.4 55.5 4 8 A Y E -A 16 0A 68 -2,-0.3 2,-0.4 12,-0.3 12,-0.2 -0.991 29.4-146.4-160.8 158.4 33.9 98.0 58.6 5 9 A R E -A 15 0A 79 10,-2.2 10,-3.2 -2,-0.3 2,-0.8 -0.997 14.4-145.7-132.7 129.8 33.9 95.5 61.3 6 10 A I E -A 14 0A 49 -2,-0.4 8,-0.2 8,-0.2 2,-0.2 -0.852 24.0-160.7 -96.4 109.3 35.3 96.1 64.8 7 11 A L E +A 13 0A 40 6,-2.5 6,-1.6 -2,-0.8 518,-0.1 -0.577 44.0 35.0 -91.6 148.9 36.8 92.8 66.0 8 12 A G - 0 0 25 -2,-0.2 4,-0.1 4,-0.2 517,-0.1 0.126 67.8-113.3 91.8 153.8 37.6 91.9 69.6 9 13 A E S S- 0 0 108 2,-0.2 3,-0.1 3,-0.1 516,-0.1 0.945 98.4 -4.7 -87.6 -77.8 36.0 92.5 73.0 10 14 A S S S+ 0 0 11 1,-0.2 2,-0.5 514,-0.1 515,-0.1 0.808 135.7 50.2 -93.8 -32.4 38.2 94.7 75.2 11 15 A X S S- 0 0 6 513,-0.1 2,-0.3 54,-0.1 56,-0.2 -0.945 85.2-163.3-106.0 125.7 41.2 94.9 72.8 12 16 A Q - 0 0 37 54,-2.9 50,-0.4 -2,-0.5 2,-0.4 -0.796 26.1-174.9-122.4 149.2 40.1 95.9 69.3 13 17 A T E -A 7 0A 0 -6,-1.6 -6,-2.5 -2,-0.3 2,-0.6 -0.973 24.6-135.7-129.0 143.1 41.2 95.9 65.7 14 18 A V E -AB 6 60A 0 46,-3.1 46,-2.6 -2,-0.4 2,-0.8 -0.925 8.9-155.3-107.0 121.8 39.2 97.5 63.0 15 19 A E E -AB 5 59A 23 -10,-3.2 -10,-2.2 -2,-0.6 2,-0.5 -0.867 13.8-151.8 -92.1 107.4 38.8 95.6 59.7 16 20 A I E -AB 4 58A 0 42,-2.7 42,-1.9 -2,-0.8 2,-0.7 -0.713 4.9-143.1 -83.5 122.2 38.1 98.1 56.9 17 21 A E E -AB 3 57A 25 -14,-2.5 -14,-1.0 -2,-0.5 2,-0.7 -0.771 19.1-168.9 -83.8 110.1 36.0 96.8 53.9 18 22 A L E - B 0 56A 0 38,-3.0 38,-1.9 -2,-0.7 36,-0.2 -0.893 4.5-160.8-108.2 105.8 37.4 98.4 50.7 19 23 A D > - 0 0 31 -2,-0.7 3,-2.1 36,-0.2 31,-0.4 -0.418 49.8 -70.0 -70.8 156.4 35.3 98.0 47.6 20 24 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.2 0, 0.0 31,-0.1 -0.288 127.1 25.3 -56.4 130.4 37.2 98.6 44.3 21 25 A G T 3 S+ 0 0 62 29,-1.5 30,-0.1 1,-0.3 2,-0.0 -0.265 95.4 117.8 109.4 -42.4 37.9 102.3 44.0 22 26 A E < - 0 0 37 -3,-2.1 28,-2.1 27,-0.1 -1,-0.3 -0.282 42.7-165.8 -71.2 140.6 37.9 103.0 47.8 23 27 A T E -G 49 0B 17 26,-0.2 69,-1.2 -3,-0.1 2,-0.3 -0.833 2.8-162.5-115.5 156.1 40.9 104.3 49.8 24 28 A V E -GH 48 91B 0 24,-2.3 24,-2.9 -2,-0.3 2,-0.3 -0.991 11.6-142.8-137.0 138.5 41.5 104.4 53.6 25 29 A I E +GH 47 90B 9 65,-3.1 65,-2.3 -2,-0.3 2,-0.3 -0.779 26.7 157.0-104.4 149.2 44.1 106.5 55.4 26 30 A A E -GH 46 89B 0 20,-1.7 20,-1.9 -2,-0.3 63,-0.2 -0.981 44.3 -88.3-163.1 151.7 46.2 105.5 58.5 27 31 A E > - 0 0 48 61,-0.7 3,-1.6 -2,-0.3 4,-0.3 -0.343 62.1 -86.0 -60.2 143.8 49.4 106.2 60.4 28 32 A A T 3 S+ 0 0 74 1,-0.2 -1,-0.1 2,-0.1 14,-0.0 -0.296 112.3 18.9 -54.6 132.3 52.4 104.2 59.3 29 33 A G T 3 S+ 0 0 26 -3,-0.1 -1,-0.2 33,-0.0 -2,-0.1 0.496 89.7 106.4 83.5 6.9 52.6 100.8 61.0 30 34 A A < + 0 0 0 -3,-1.6 31,-2.1 58,-0.1 2,-0.2 0.691 53.3 104.4 -82.9 -19.4 49.0 100.5 62.2 31 35 A X E +C 60 0A 7 -4,-0.3 29,-0.3 29,-0.2 3,-0.1 -0.424 41.6 178.7 -74.6 132.7 48.1 97.9 59.6 32 36 A N E - 0 0 2 27,-2.9 507,-2.3 1,-0.3 2,-0.3 0.873 64.6 -8.8 -93.0 -51.8 47.8 94.2 60.6 33 37 A Y E -CD 59 538A 1 26,-0.6 26,-1.8 505,-0.3 2,-0.4 -0.997 50.2-151.5-153.2 150.7 46.8 92.5 57.3 34 38 A X E -CD 58 537A 0 503,-3.6 503,-2.6 -2,-0.3 2,-0.6 -0.980 18.4-136.0-122.9 135.7 45.8 93.1 53.7 35 39 A T E > - D 0 536A 13 22,-2.2 3,-0.9 -2,-0.4 2,-0.7 -0.847 50.1 -73.4 -95.0 116.3 43.7 90.8 51.5 36 40 A G T 3 S+ 0 0 25 499,-1.9 500,-0.0 -2,-0.6 -2,-0.0 -0.118 120.8 35.3 56.3 -87.6 44.9 90.2 47.9 37 41 A D T 3 S+ 0 0 64 -2,-0.7 14,-2.0 2,-0.0 2,-0.3 0.298 83.7 117.4 -92.2 9.8 44.3 93.2 45.8 38 42 A I E < -I 50 0B 0 -3,-0.9 2,-0.4 12,-0.2 12,-0.2 -0.613 41.9-171.5 -79.3 135.7 45.0 96.0 48.4 39 43 A R E -I 49 0B 96 10,-2.7 10,-2.9 -2,-0.3 2,-0.3 -0.967 4.7-154.3-127.6 145.2 48.0 98.2 47.5 40 44 A F E -I 48 0B 57 -2,-0.4 2,-0.3 8,-0.2 8,-0.2 -0.844 9.8-175.3-123.2 157.2 49.5 100.9 49.8 41 45 A T E -I 47 0B 73 6,-1.9 6,-2.4 -2,-0.3 2,-0.5 -0.992 29.8-113.4-152.3 140.3 51.5 104.1 49.3 42 46 A A E I 46 0B 81 -2,-0.3 4,-0.2 4,-0.2 -2,-0.0 -0.658 360.0 360.0 -77.5 121.5 53.3 106.6 51.5 43 47 A R 0 0 187 2,-1.8 4,-0.2 -2,-0.5 3,-0.0 0.053 360.0 360.0 45.3 360.0 51.6 110.0 51.4 44 ! 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 45 75 A X 0 0 57 0, 0.0 -2,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 134.3 49.9 109.4 56.5 46 76 A T E -GI 26 42B 20 -20,-1.9 -20,-1.7 -4,-0.2 2,-0.4 -0.997 360.0-144.1-138.5 129.0 49.8 106.1 54.5 47 77 A H E -GI 25 41B 34 -6,-2.4 -6,-1.9 -2,-0.4 2,-0.5 -0.781 7.9-162.7-107.0 134.2 47.0 105.4 52.0 48 78 A F E -GI 24 40B 10 -24,-2.9 -24,-2.3 -2,-0.4 2,-0.4 -0.972 15.0-179.9-118.5 126.1 45.6 101.9 51.4 49 79 A T E -GI 23 39B 19 -10,-2.9 -10,-2.7 -2,-0.5 2,-1.1 -0.972 34.4-118.4-132.6 141.7 43.5 101.4 48.2 50 80 A N E + I 0 38B 3 -28,-2.1 -29,-1.5 -31,-0.4 -12,-0.2 -0.677 32.6 177.3 -77.2 100.9 41.6 98.5 46.6 51 81 A E + 0 0 122 -14,-2.0 -1,-0.2 -2,-1.1 -13,-0.1 0.455 59.4 47.5 -86.6 -4.3 43.5 98.1 43.3 52 82 A G S S- 0 0 18 -15,-0.3 2,-0.2 2,-0.1 -31,-0.1 -0.023 94.3 -85.2-114.2-141.9 41.5 95.1 42.1 53 83 A Q S S+ 0 0 173 -33,-0.1 2,-0.3 -2,-0.1 -34,-0.1 -0.669 80.4 82.7-144.6 72.6 38.0 93.8 41.8 54 84 A G S S- 0 0 18 -2,-0.2 2,-0.9 -36,-0.2 -2,-0.1 -0.953 86.2 -89.9-162.8 160.7 36.7 92.2 45.0 55 85 A K - 0 0 103 -2,-0.3 -36,-0.2 -36,-0.2 2,-0.2 -0.767 65.1-167.7 -77.9 107.3 35.1 93.2 48.3 56 86 A Q E -B 18 0A 36 -38,-1.9 -38,-3.0 -2,-0.9 2,-0.4 -0.555 18.8-140.6-113.1 166.7 38.4 93.6 50.1 57 87 A H E +B 17 0A 46 -40,-0.3 -22,-2.2 -2,-0.2 2,-0.3 -0.964 15.8 173.9-131.9 135.6 39.8 94.0 53.7 58 88 A V E -BC 16 34A 0 -42,-1.9 -42,-2.7 -2,-0.4 2,-0.3 -0.948 21.2-153.1-135.9 122.9 42.6 95.9 55.5 59 89 A A E -BC 15 33A 0 -26,-1.8 -27,-2.9 -2,-0.3 -26,-0.6 -0.735 10.4-172.0-100.3 143.0 42.8 95.8 59.3 60 90 A F E +BC 14 31A 0 -46,-2.6 -46,-3.1 -2,-0.3 2,-0.3 -0.974 7.1 170.8-132.0 146.5 44.3 98.4 61.7 61 91 A A - 0 0 2 -31,-2.1 -48,-0.1 -2,-0.3 6,-0.1 -0.987 32.7-107.5-153.2 148.5 45.0 98.5 65.4 62 92 A A - 0 0 6 -50,-0.4 4,-0.1 -2,-0.3 24,-0.1 -0.274 31.4-114.1 -74.0 159.8 46.8 100.8 67.8 63 93 A P S S+ 0 0 13 0, 0.0 522,-0.1 0, 0.0 523,-0.1 0.053 96.7 50.6 -89.2 26.4 50.2 99.9 69.3 64 94 A Y S S- 0 0 7 521,-0.0 -2,-0.2 2,-0.0 2,-0.1 -0.958 99.6 -80.0-155.4 153.4 48.9 99.7 72.9 65 95 A P S S+ 0 0 4 0, 0.0 55,-2.6 0, 0.0 2,-0.3 -0.319 74.9 76.7 -67.7 137.1 45.9 97.8 74.4 66 96 A G E -J 119 0B 2 53,-0.3 -54,-2.9 -4,-0.1 2,-0.3 -0.979 68.0 -53.9 159.0-168.0 42.3 99.1 74.2 67 97 A S E -J 118 0B 16 51,-1.7 51,-3.2 53,-0.3 2,-0.4 -0.691 32.9-133.1-110.4 151.9 39.2 99.7 72.1 68 98 A V E -J 117 0B 7 -2,-0.3 2,-0.5 49,-0.2 49,-0.2 -0.853 15.3-155.7-103.0 134.6 38.4 101.3 68.8 69 99 A V E -J 116 0B 20 47,-3.6 47,-2.3 -2,-0.4 2,-0.6 -0.952 7.3-146.0-112.0 125.8 35.5 103.8 68.4 70 100 A A E -J 115 0B 26 -2,-0.5 2,-0.6 45,-0.2 45,-0.2 -0.794 17.2-170.6 -87.6 119.5 33.9 104.4 65.0 71 101 A V E -J 114 0B 11 43,-3.0 43,-1.8 -2,-0.6 2,-0.7 -0.912 16.3-148.9-119.9 106.4 32.7 108.0 64.6 72 102 A D E > -J 113 0B 49 -2,-0.6 3,-1.8 41,-0.2 4,-0.3 -0.610 16.1-145.3 -63.8 107.0 30.6 108.9 61.6 73 103 A L G > >S+ 0 0 0 39,-2.5 3,-2.2 -2,-0.7 5,-2.0 0.845 95.6 61.4 -49.5 -38.9 31.7 112.5 61.1 74 104 A D G > 5S+ 0 0 105 37,-0.4 3,-1.1 1,-0.3 -1,-0.3 0.806 93.7 65.8 -61.2 -27.3 28.1 113.6 60.0 75 105 A D G < 5S+ 0 0 110 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.559 109.0 38.0 -66.5 -11.4 26.9 112.5 63.4 76 106 A V G X 5S- 0 0 37 -3,-2.2 3,-0.7 -4,-0.3 68,-0.3 -0.037 128.3 -81.8-136.8 33.3 28.9 115.4 65.0 77 107 A G T < 5S- 0 0 59 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.778 78.5 -71.6 73.3 28.5 28.7 118.3 62.6 78 108 A G T 3 > -L 105 0C 8 57,-3.2 3,-1.5 -2,-0.3 4,-0.7 -0.488 35.5-123.9 -70.9 135.0 44.7 113.5 70.4 84 114 A K G >4 S+ 0 0 98 20,-1.9 3,-0.8 1,-0.3 -1,-0.1 0.834 109.7 53.8 -53.2 -41.6 47.3 112.5 67.8 85 115 A D G 34 S+ 0 0 71 19,-0.2 -1,-0.3 1,-0.2 55,-0.1 0.809 105.4 56.1 -56.1 -34.0 48.2 109.2 69.5 86 116 A S G <4 S+ 0 0 0 -3,-1.5 31,-3.5 54,-0.2 2,-0.4 0.562 79.8 104.3 -84.9 -11.0 44.5 108.2 69.5 87 117 A F E << + K 0 116B 7 -3,-0.8 29,-0.2 -4,-0.7 -60,-0.2 -0.580 36.5 165.7 -72.5 125.4 43.9 108.5 65.7 88 118 A L E - 0 0 2 27,-2.8 -61,-0.7 -2,-0.4 2,-0.3 0.825 54.9 -34.9-105.2 -50.8 43.8 105.1 64.0 89 119 A C E -HK 26 115B 0 26,-1.3 26,-2.4 -63,-0.2 -1,-0.3 -0.987 48.0-150.0-171.1 164.0 42.4 105.6 60.5 90 120 A A E -HK 25 114B 0 -65,-2.3 -65,-3.1 -2,-0.3 2,-0.3 -0.988 32.1 -96.8-146.5 149.2 40.0 107.5 58.2 91 121 A A E -H 24 0B 1 22,-2.9 -67,-0.2 -2,-0.3 21,-0.2 -0.534 62.9 -96.3 -58.9 124.1 37.8 107.4 55.1 92 122 A Y S S+ 0 0 133 -69,-1.2 -1,-0.1 -2,-0.3 -69,-0.1 -0.201 110.2 48.0 -50.0 133.6 39.9 109.0 52.4 93 123 A G S S+ 0 0 51 1,-0.3 18,-0.4 -3,-0.1 2,-0.4 0.844 76.6 136.3 88.9 49.4 39.0 112.6 51.9 94 124 A T - 0 0 18 16,-0.1 2,-0.5 -4,-0.1 -1,-0.3 -0.980 52.5-129.5-120.0 134.8 39.2 113.6 55.5 95 125 A R B +N 109 0C 190 14,-2.7 14,-1.6 -2,-0.4 -3,-0.0 -0.784 33.1 172.1 -88.7 131.3 40.9 116.9 56.5 96 126 A V + 0 0 30 -2,-0.5 -1,-0.1 12,-0.2 11,-0.1 0.370 16.3 122.0-103.9-125.9 43.5 116.5 59.2 97 127 A G - 0 0 33 9,-0.1 10,-1.8 11,-0.0 2,-0.1 -0.060 59.5 -62.6 83.4 174.0 46.0 119.0 60.6 98 128 A I B O 106 0C 119 8,-0.2 8,-0.2 1,-0.0 6,-0.0 -0.328 360.0 360.0 -95.9 172.0 46.6 120.5 64.1 99 129 A A 0 0 67 6,-1.8 6,-0.4 -2,-0.1 -2,-0.0 -0.846 360.0 360.0-149.6 360.0 44.6 122.6 66.5 100 ! 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 0.0 101 142 A E 0 0 199 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 88.0 57.0 115.9 70.9 102 143 A G - 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