==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 13-MAY-09 3HG9 . COMPND 2 MOLECULE: PILM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR V.N.MALASHKEVICH,R.TORO,J.M.SAUDER,S.K.BURLEY,S.C.ALMO,NEW Y . 239 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12200.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 66.5 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 . 54 22.6 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 . 1 0.4 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 . 29 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 49 20.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 1 1 0 0 0 0 0 0 0 0 0 1 0 1 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 . 1 1 3 0 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 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 9 A L 0 0 238 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -60.8 -16.6 42.2 -18.4 2 10 A A + 0 0 68 1,-0.1 3,-0.1 2,-0.1 66,-0.0 -0.838 360.0 146.6-110.2 103.4 -18.8 39.2 -18.1 3 11 A E > + 0 0 148 -2,-0.8 3,-0.5 1,-0.1 4,-0.2 -0.295 35.7 117.7-131.0 50.3 -17.7 36.0 -16.4 4 12 A V T 3> + 0 0 30 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.305 64.7 89.3 -68.7 -3.5 -20.8 34.9 -14.9 5 13 A D H 3> S+ 0 0 56 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.876 80.0 50.4 -59.1 -45.5 -19.7 32.3 -17.4 6 14 A T H <> S+ 0 0 83 -3,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.802 111.5 51.2 -67.1 -24.4 -17.7 30.5 -14.7 7 15 A L H > S+ 0 0 40 -4,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.848 108.6 49.6 -81.0 -30.7 -20.9 30.7 -12.7 8 16 A A H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.948 110.4 50.1 -66.4 -47.5 -22.9 29.2 -15.5 9 17 A R H X S+ 0 0 153 -4,-2.7 4,-4.2 1,-0.2 5,-0.3 0.873 107.7 54.5 -60.7 -38.2 -20.5 26.3 -15.9 10 18 A S H X S+ 0 0 23 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.895 107.9 48.9 -62.1 -44.1 -20.6 25.6 -12.1 11 19 A L H X S+ 0 0 0 -4,-1.6 4,-3.4 2,-0.2 -2,-0.2 0.930 117.2 41.8 -60.4 -45.2 -24.4 25.3 -12.3 12 20 A L H X S+ 0 0 27 -4,-2.2 4,-3.0 2,-0.3 -2,-0.2 0.912 113.9 50.6 -71.9 -46.3 -24.1 22.9 -15.4 13 21 A L H X S+ 0 0 55 -4,-4.2 4,-1.5 -5,-0.2 5,-0.2 0.967 115.2 46.3 -46.3 -49.6 -21.2 21.1 -13.8 14 22 A Y H X S+ 0 0 6 -4,-2.5 4,-1.2 -5,-0.3 -2,-0.3 0.950 109.5 51.8 -67.2 -44.2 -23.5 20.9 -10.8 15 23 A R H X S+ 0 0 15 -4,-3.4 4,-2.6 1,-0.2 3,-0.2 0.901 104.7 59.5 -58.4 -37.9 -26.6 19.8 -12.8 16 24 A S H X S+ 0 0 47 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.935 108.0 40.7 -55.7 -53.3 -24.5 16.9 -14.4 17 25 A R H < S+ 0 0 88 -4,-1.5 4,-0.5 1,-0.2 -1,-0.2 0.631 111.8 59.0 -72.8 -20.5 -23.5 15.0 -11.1 18 26 A L H >X S+ 0 0 0 -4,-1.2 4,-1.9 -5,-0.2 3,-0.6 0.933 108.9 43.4 -64.8 -51.9 -27.0 15.7 -9.9 19 27 A A H 3X S+ 0 0 15 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.953 111.0 53.8 -58.0 -51.0 -28.3 13.7 -13.0 20 28 A E H 3< S+ 0 0 114 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.759 106.8 54.6 -58.8 -17.9 -25.7 11.0 -12.5 21 29 A Y H X> S+ 0 0 39 -3,-0.6 3,-1.6 -4,-0.5 4,-0.9 0.950 104.2 51.7 -82.9 -50.8 -26.9 10.6 -8.9 22 30 A A H >< S+ 0 0 14 -4,-1.9 3,-2.3 1,-0.2 -2,-0.2 0.937 97.3 68.2 -39.5 -56.7 -30.5 10.1 -9.9 23 31 A H T 3< S+ 0 0 154 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.739 114.7 29.9 -41.1 -27.1 -29.4 7.3 -12.4 24 32 A A T <4 S+ 0 0 77 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.351 116.3 61.8-118.1 -5.8 -28.5 5.3 -9.2 25 33 A N S << S+ 0 0 62 -3,-2.3 3,-0.5 -4,-0.9 -1,-0.2 -0.708 70.1 179.2-118.4 81.0 -31.1 6.7 -6.9 26 34 A P + 0 0 110 0, 0.0 30,-0.1 0, 0.0 3,-0.1 -0.159 65.4 24.0 -65.7 177.8 -34.3 5.7 -8.4 27 35 A G S S+ 0 0 86 28,-0.3 2,-0.3 1,-0.1 29,-0.1 0.751 97.9 120.8 25.2 57.7 -37.6 6.8 -6.5 28 36 A F - 0 0 61 -3,-0.5 2,-0.2 27,-0.3 -1,-0.1 -0.905 41.5-172.5-137.2 165.2 -35.9 9.7 -4.7 29 37 A S + 0 0 52 -2,-0.3 25,-0.2 25,-0.2 2,-0.0 -0.699 40.6 99.2-162.9 99.3 -36.4 13.5 -4.5 30 38 A G S S- 0 0 10 23,-0.3 -2,-0.0 -2,-0.2 3,-0.0 -0.020 79.4 -89.4-139.5-145.4 -33.8 15.6 -2.6 31 39 A S - 0 0 75 21,-0.1 2,-2.8 19,-0.0 21,-0.1 -0.193 51.5-150.1-149.6 49.1 -30.7 17.9 -2.4 32 40 A P - 0 0 21 0, 0.0 2,-0.2 0, 0.0 20,-0.0 0.047 34.5-102.0 -0.1 -34.3 -28.6 14.7 -2.2 33 41 A A - 0 0 50 -2,-2.8 4,-0.1 3,-0.1 -3,-0.0 -0.438 26.5-100.9 114.6 166.4 -25.7 16.3 -0.1 34 42 A D S >>S+ 0 0 55 -2,-0.2 4,-0.7 2,-0.1 5,-0.6 0.806 116.9 62.4 -92.0 -33.2 -22.4 17.5 -1.6 35 43 A S T 45S+ 0 0 106 1,-0.2 0, 0.0 2,-0.2 0, 0.0 -0.631 103.7 40.1 -65.9 150.5 -20.8 14.3 -0.3 36 44 A A T 45S+ 0 0 64 -2,-0.3 -1,-0.2 3,-0.0 -2,-0.1 -0.214 103.5 78.0 89.7 -36.8 -22.7 11.5 -2.1 37 45 A L T 45S- 0 0 10 -3,-0.2 -2,-0.2 -4,-0.1 -3,-0.1 0.801 90.9-136.9 -71.7 -35.8 -22.6 13.7 -5.3 38 46 A G T <5 + 0 0 48 -4,-0.7 -3,-0.1 1,-0.2 -4,-0.1 0.561 36.1 172.0 92.9 7.7 -18.9 13.1 -6.3 39 47 A L < - 0 0 32 -5,-0.6 -1,-0.2 1,-0.1 -2,-0.1 -0.325 49.8 -88.4 -62.2 136.2 -18.1 16.7 -7.2 40 48 A P - 0 0 37 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.355 40.8-133.8 -16.8 -47.8 -14.3 17.6 -7.9 41 49 A A S S+ 0 0 88 2,-0.4 -2,-0.1 0, 0.0 -3,-0.0 -0.353 103.3 64.4 110.8 -46.6 -13.2 18.3 -4.4 42 50 A W S S+ 0 0 199 2,-0.0 2,-0.5 0, 0.0 -3,-0.0 0.516 86.1 92.7 -72.9 -14.3 -11.4 21.4 -5.6 43 51 A F - 0 0 21 -4,-0.0 2,-0.6 2,-0.0 -2,-0.4 -0.779 63.0-160.7 -91.2 124.8 -14.9 22.8 -6.5 44 52 A R - 0 0 223 -2,-0.5 -2,-0.0 -4,-0.1 0, 0.0 -0.939 17.9-133.4-117.0 109.6 -16.5 24.8 -3.8 45 53 A K - 0 0 33 -2,-0.6 2,-1.1 1,-0.1 4,-0.1 -0.503 16.7-125.6 -76.9 111.2 -20.3 25.1 -4.4 46 54 A P > - 0 0 39 0, 0.0 3,-2.8 0, 0.0 -1,-0.1 -0.296 26.2-124.2 -55.2 94.2 -21.6 28.7 -4.0 47 55 A V T 3 S+ 0 0 107 -2,-1.1 3,-0.1 1,-0.3 -3,-0.0 -0.250 105.6 60.0 -31.2 126.8 -24.3 28.2 -1.5 48 56 A R T 3 S+ 0 0 166 1,-0.1 2,-0.9 13,-0.1 15,-0.6 -0.060 82.3 95.7 116.0 -20.3 -27.2 29.8 -3.6 49 57 A L E < +A 62 0A 0 -3,-2.8 2,-0.2 13,-0.1 13,-0.2 -0.862 63.8 175.3 -95.0 100.8 -26.5 27.1 -6.2 50 58 A Q E -A 61 0A 91 11,-2.6 11,-2.2 -2,-0.9 2,-0.3 -0.630 18.0-155.3-110.9 164.5 -29.1 24.5 -5.2 51 59 A G E -A 60 0A 2 -2,-0.2 2,-0.3 9,-0.2 9,-0.2 -0.982 9.0-177.8-144.7 157.5 -30.4 21.2 -6.5 52 60 A Y E -A 59 0A 56 7,-1.9 7,-1.2 -2,-0.3 2,-0.5 -0.893 14.6-157.6-154.1 119.1 -33.5 18.9 -6.5 53 61 A I E -A 58 0A 0 -2,-0.3 2,-0.4 5,-0.2 -23,-0.3 -0.870 22.2-176.0 -93.8 123.8 -34.3 15.5 -7.9 54 62 A A S S- 0 0 18 3,-1.1 2,-4.3 -2,-0.5 -25,-0.2 -0.995 71.0 -32.8-132.4 125.3 -38.1 15.3 -8.1 55 63 A A S S- 0 0 98 -2,-0.4 -27,-0.3 -29,-0.0 -28,-0.3 -0.086 130.5 -49.5 49.8 -35.2 -39.7 12.0 -9.3 56 64 A G S S+ 0 0 22 -2,-4.3 182,-0.4 1,-0.3 2,-0.1 -0.184 105.4 106.5 130.6 121.2 -36.4 11.9 -11.3 57 65 A T - 0 0 13 180,-0.3 -3,-1.1 181,-0.1 2,-0.3 -0.116 62.4-120.8 132.4 100.5 -35.4 15.0 -13.2 58 66 A S E -AB 53 236A 0 178,-1.9 178,-2.7 -5,-0.2 2,-0.4 -0.596 24.8-174.3 -80.5 133.4 -32.6 17.2 -12.1 59 67 A Y E -AB 52 235A 14 -7,-1.2 -7,-1.9 -2,-0.3 2,-0.4 -0.991 1.0-174.5-123.1 124.1 -33.2 20.9 -11.5 60 68 A A E +AB 51 234A 0 174,-2.1 174,-3.2 -2,-0.4 2,-0.3 -0.993 19.3 176.7-119.9 132.6 -30.2 23.1 -10.6 61 69 A F E -AB 50 233A 6 -11,-2.2 -11,-2.6 -2,-0.4 2,-0.4 -0.948 38.3-153.3-145.1 160.1 -31.0 26.6 -9.7 62 70 A I E -AB 49 232A 4 170,-2.3 170,-1.9 -2,-0.3 -13,-0.1 -0.926 16.7-163.9-130.1 106.6 -29.9 30.0 -8.5 63 71 A A S S+ 0 0 36 -15,-0.6 -1,-0.1 -2,-0.4 -14,-0.1 0.715 86.0 29.9 -64.8 -31.2 -32.7 31.9 -6.7 64 72 A S S S- 0 0 112 -16,-0.2 -1,-0.3 168,-0.1 167,-0.1 -0.355 92.2-168.2-123.1 58.6 -31.4 35.6 -6.7 65 73 A P - 0 0 37 0, 0.0 5,-0.1 0, 0.0 3,-0.1 -0.188 21.3-117.8 -76.8 131.0 -29.6 35.2 -9.9 66 74 A P > - 0 0 64 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.295 39.8-102.9 -49.0 134.8 -27.2 37.9 -11.2 67 75 A A T 3 S+ 0 0 104 1,-0.2 -63,-0.0 2,-0.1 0, 0.0 -0.265 111.0 45.7 -59.4 155.6 -28.3 39.4 -14.5 68 76 A G T 3> S+ 0 0 42 -3,-0.1 4,-2.3 -66,-0.0 -1,-0.2 0.049 91.2 89.2 92.7 -23.6 -26.2 37.9 -17.3 69 77 A L H <> S+ 0 0 0 -3,-1.8 4,-3.1 2,-0.2 5,-0.3 0.911 77.1 58.2 -77.3 -43.2 -26.7 34.3 -15.9 70 78 A A H > S+ 0 0 31 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.918 115.8 39.9 -45.6 -52.0 -29.9 33.4 -17.8 71 79 A A H > S+ 0 0 34 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.915 112.5 54.1 -61.8 -51.6 -28.0 34.1 -20.9 72 80 A A H X S+ 0 0 10 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.855 114.5 41.9 -59.9 -30.8 -24.8 32.5 -19.7 73 81 A V H X S+ 0 0 0 -4,-3.1 4,-0.6 2,-0.2 -1,-0.2 0.893 111.2 51.6 -83.3 -38.4 -26.6 29.2 -18.9 74 82 A D H >< S+ 0 0 10 -4,-1.8 3,-1.4 -5,-0.3 -2,-0.2 0.972 111.5 50.9 -63.5 -46.6 -28.8 29.0 -21.9 75 83 A T H 3< S+ 0 0 56 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.741 106.9 50.9 -63.4 -30.0 -25.8 29.5 -24.1 76 84 A G H 3< S+ 0 0 34 -4,-0.9 2,-0.3 -5,-0.2 -1,-0.3 0.496 109.1 63.6 -88.4 -3.6 -23.6 26.7 -22.5 77 85 A T << - 0 0 8 -3,-1.4 41,-0.3 -4,-0.6 40,-0.1 -0.757 68.3-150.5-110.1 163.5 -26.4 24.2 -22.8 78 86 A E - 0 0 59 -2,-0.3 -1,-0.2 39,-0.1 39,-0.2 0.776 24.0-135.5 -93.0 -84.5 -28.1 22.8 -25.8 79 87 A S - 0 0 1 37,-0.2 37,-1.7 123,-0.1 2,-0.3 -0.274 16.0-162.6 122.0 136.8 -31.8 21.9 -25.3 80 88 A D E +CD 115 201A 14 121,-1.3 121,-1.7 35,-0.2 2,-0.3 -0.901 12.7 169.4-160.6 117.3 -33.4 18.7 -26.5 81 89 A L E -C 114 0A 4 33,-1.1 33,-2.7 -2,-0.3 2,-0.4 -0.876 17.5-153.3-135.2 165.0 -37.0 17.9 -26.9 82 90 A V E +C 113 0A 4 -2,-0.3 2,-0.3 31,-0.2 31,-0.2 -0.998 36.0 99.4-135.9 133.1 -39.3 15.3 -28.3 83 91 A G E -C 112 0A 4 29,-2.2 29,-2.7 -2,-0.4 2,-0.4 -0.923 56.7 -71.6-171.1-142.5 -42.9 15.5 -29.6 84 92 A V E -CE 111 91A 39 7,-1.4 7,-2.3 -2,-0.3 2,-0.7 -0.978 43.5-104.0-132.3 144.6 -45.4 15.8 -32.5 85 93 A R E + E 0 90A 27 25,-1.3 24,-3.6 -2,-0.4 5,-0.2 -0.566 49.0 163.1 -69.2 107.9 -46.2 18.6 -34.9 86 94 A R S S- 0 0 161 3,-2.6 -2,-0.1 -2,-0.7 22,-0.0 -0.597 73.1 -29.2-170.0 102.6 -49.7 20.1 -33.8 87 95 A N S S- 0 0 79 -2,-0.1 3,-0.1 4,-0.0 -2,-0.1 0.306 109.3 -54.1-124.0 119.5 -50.0 22.6 -35.0 88 96 A G S S+ 0 0 35 1,-0.3 14,-0.7 15,-0.1 2,-0.3 0.092 120.9 90.1 80.1 -21.0 -46.9 24.6 -35.6 89 97 A Q S S- 0 0 82 10,-0.1 -3,-2.6 12,-0.1 2,-0.5 -0.763 85.9-115.6-101.3 150.4 -46.4 23.9 -31.9 90 98 A L E -EF 85 98A 0 8,-3.5 8,-3.1 -2,-0.3 2,-0.7 -0.758 24.8-152.6 -88.3 127.9 -44.5 20.9 -30.5 91 99 A V E +EF 84 97A 54 -7,-2.3 -7,-1.4 -2,-0.5 2,-0.4 -0.859 22.3 171.1-105.2 113.2 -46.7 18.7 -28.5 92 100 A T E >> - 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