==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 20-DEC-05 2FFS . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN PA1206; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.D.ZIMMERMAN,M.CHRUSZCZ,M.T.CYMBOROWSKI,S.WANG,O.KIRILLOVA, . 291 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13936.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 34.0 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 2.7 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 0.3 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 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 0 0 0 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 0 2 5 1 2 0 2 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 2 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 1 A X 0 0 94 0, 0.0 2,-0.2 0, 0.0 122,-0.1 0.000 360.0 360.0 360.0-124.7 84.6 62.5 30.5 2 2 A Q + 0 0 138 109,-0.1 2,-0.4 120,-0.1 109,-0.2 -0.350 360.0 172.2-102.1 136.0 85.7 59.9 33.1 3 3 A F E -A 110 0A 26 107,-1.5 107,-3.0 -2,-0.2 2,-0.3 -0.995 11.2-172.7-121.9 134.8 84.4 56.3 33.3 4 4 A E E +A 109 0A 48 -2,-0.4 2,-0.3 105,-0.2 105,-0.2 -0.955 5.6 179.1-129.8 150.5 86.1 53.9 35.7 5 5 A H E -A 108 0A 20 103,-1.7 103,-3.1 -2,-0.3 2,-0.5 -0.981 15.8-147.9-155.5 131.3 85.5 50.2 36.2 6 6 A L E -A 107 0A 65 -2,-0.3 2,-0.5 101,-0.2 101,-0.2 -0.904 9.8-161.4-110.8 122.9 87.2 47.7 38.5 7 7 A V E -A 106 0A 12 99,-2.7 99,-2.2 -2,-0.5 2,-0.4 -0.923 16.1-134.8-106.7 128.5 87.7 44.1 37.4 8 8 A Q E -A 105 0A 108 -2,-0.5 97,-0.2 97,-0.2 3,-0.0 -0.657 15.9-162.2 -77.5 128.1 88.3 41.4 40.0 9 9 A V + 0 0 0 95,-2.8 2,-0.3 -2,-0.4 96,-0.1 0.927 65.0 32.1 -82.9 -49.2 91.2 39.2 38.9 10 10 A N + 0 0 20 94,-0.6 2,-0.2 92,-0.1 7,-0.1 -0.834 65.3 174.2-111.1 155.1 90.9 36.0 41.0 11 11 A D - 0 0 68 -2,-0.3 2,-0.6 4,-0.1 -2,-0.0 -0.729 40.6 -87.4-142.4-178.5 87.8 34.2 42.5 12 12 A R 0 0 142 -2,-0.2 -2,-0.0 0, 0.0 0, 0.0 -0.932 360.0 360.0 -98.6 112.4 86.6 31.0 44.4 13 13 A T 0 0 140 -2,-0.6 -2,-0.1 2,-0.1 0, 0.0 -0.604 360.0 360.0-158.7 360.0 85.9 28.3 41.7 14 ! 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 15 17 A L 0 0 150 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 145.6 89.8 28.9 36.3 16 18 A P - 0 0 46 0, 0.0 2,-0.2 0, 0.0 132,-0.1 -0.439 360.0-138.4 -69.1 136.0 93.6 29.8 36.7 17 19 A V - 0 0 99 130,-0.2 2,-0.3 -2,-0.1 -7,-0.1 -0.617 19.0-152.9 -89.5 154.7 94.8 31.9 39.7 18 20 A L - 0 0 4 -2,-0.2 2,-0.2 84,-0.2 129,-0.1 -0.957 6.3-143.9-131.3 145.6 97.3 34.7 39.2 19 21 A D > - 0 0 83 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.565 39.0 -96.4-100.2 174.1 100.0 36.4 41.3 20 22 A R H > S+ 0 0 67 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.890 122.4 46.9 -60.5 -43.6 100.9 40.1 41.1 21 23 A L H > S+ 0 0 115 2,-0.2 4,-3.5 1,-0.2 -1,-0.2 0.906 109.3 53.1 -73.2 -35.1 103.8 39.8 38.9 22 24 A Q H > S+ 0 0 69 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.938 110.9 48.4 -62.3 -42.3 102.0 37.4 36.4 23 25 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.927 110.3 51.5 -66.5 -41.8 99.2 40.0 36.1 24 26 A W H X S+ 0 0 27 -4,-2.5 4,-2.1 2,-0.2 3,-0.4 0.968 107.5 51.8 -52.1 -52.9 101.8 42.7 35.6 25 27 A E H X S+ 0 0 36 -4,-3.5 4,-3.0 1,-0.3 -2,-0.2 0.923 106.8 56.8 -55.9 -36.7 103.3 40.5 32.8 26 28 A G H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.3 0.910 106.2 47.1 -54.3 -47.6 99.8 40.4 31.4 27 29 A L H X S+ 0 0 0 -4,-2.1 4,-1.5 -3,-0.4 -1,-0.2 0.873 112.0 49.8 -68.5 -35.6 99.5 44.2 31.2 28 30 A V H X S+ 0 0 35 -4,-2.1 4,-2.7 1,-0.2 3,-0.4 0.937 109.1 54.5 -63.5 -44.7 103.0 44.4 29.5 29 31 A C H X S+ 0 0 16 -4,-3.0 4,-2.7 -5,-0.3 -2,-0.2 0.897 104.3 52.8 -53.3 -45.8 101.8 41.8 27.1 30 32 A R H < S+ 0 0 15 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.828 112.8 46.0 -61.5 -32.0 98.7 43.8 26.2 31 33 A A H < S+ 0 0 0 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.918 123.9 29.8 -75.1 -43.8 101.0 46.8 25.5 32 34 A R H < S+ 0 0 71 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.590 127.9 37.8 -94.0 -18.9 103.6 45.0 23.4 33 35 A E >< + 0 0 54 -4,-2.7 3,-2.1 -5,-0.3 4,-0.3 -0.409 62.2 160.6-132.3 65.6 101.6 42.2 21.9 34 36 A P G >> + 0 0 0 0, 0.0 4,-2.0 0, 0.0 3,-1.6 0.678 61.9 81.1 -68.1 -14.6 98.1 43.7 21.0 35 37 A Q G 34 S+ 0 0 82 1,-0.3 5,-0.1 2,-0.2 -5,-0.1 0.742 89.3 55.5 -62.8 -18.3 97.3 41.0 18.6 36 38 A Y G <4 S+ 0 0 111 -3,-2.1 -1,-0.3 -7,-0.2 -6,-0.1 0.661 120.8 27.4 -85.6 -11.7 96.3 38.8 21.6 37 39 A F T <4 S+ 0 0 21 -3,-1.6 2,-1.0 -4,-0.3 -2,-0.2 0.512 97.9 85.4-120.6 -16.6 93.8 41.4 22.9 38 40 A V >< - 0 0 13 -4,-2.0 3,-1.1 3,-0.0 2,-0.3 -0.830 63.5-148.4-112.9 100.6 92.5 43.5 20.0 39 41 A V T 3 S+ 0 0 43 -2,-1.0 247,-0.1 1,-0.2 245,-0.1 -0.509 86.2 19.2 -58.7 120.3 89.6 42.0 18.2 40 42 A G T 3 S+ 0 0 32 -2,-0.3 -1,-0.2 1,-0.3 -5,-0.1 -0.070 82.6 144.3 110.8 -31.2 89.9 43.1 14.6 41 43 A L < - 0 0 30 -3,-1.1 -1,-0.3 -7,-0.2 19,-0.2 -0.013 25.7-176.0 -45.2 133.4 93.6 44.1 14.4 42 44 A E - 0 0 122 17,-3.6 2,-0.3 1,-0.4 18,-0.1 0.800 66.0 -23.0-102.9 -33.5 95.2 43.4 11.1 43 45 A R E -B 59 0A 151 16,-1.0 16,-3.0 2,-0.0 -1,-0.4 -0.975 55.3-160.4-162.6 168.2 98.7 44.6 12.0 44 46 A F E -B 58 0A 60 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.992 5.0-152.2-149.5 159.9 100.7 46.8 14.4 45 47 A E E -B 57 0A 34 12,-2.4 12,-2.4 -2,-0.3 2,-0.9 -0.992 16.1-143.1-130.5 140.9 104.1 48.4 14.7 46 48 A I E +B 56 0A 56 -2,-0.4 10,-0.2 10,-0.2 3,-0.2 -0.906 28.1 177.2 -91.5 102.3 106.1 49.4 17.7 47 49 A L E + 0 0 68 8,-1.5 2,-0.4 -2,-0.9 9,-0.2 0.842 68.9 21.2 -76.7 -38.7 107.5 52.7 16.1 48 50 A V E -B 55 0A 68 7,-1.8 7,-2.2 -3,-0.1 2,-0.5 -0.990 66.0-174.4-135.9 126.3 109.4 53.8 19.2 49 51 A D E +B 54 0A 77 -2,-0.4 5,-0.2 5,-0.2 3,-0.0 -0.893 17.1 159.9-124.8 101.1 110.5 51.5 22.0 50 52 A D - 0 0 112 3,-2.9 2,-1.4 -2,-0.5 4,-0.2 0.123 57.6-114.5-101.5 14.8 112.0 53.1 25.0 51 53 A G S S+ 0 0 37 2,-0.2 3,-0.1 1,-0.2 -1,-0.1 -0.555 110.0 31.7 94.2 -74.9 111.4 50.1 27.3 52 54 A D S S+ 0 0 94 -2,-1.4 19,-3.3 1,-0.1 2,-0.4 0.375 124.1 53.5 -87.1 2.3 108.9 51.7 29.7 53 55 A R E + C 0 70A 82 17,-0.2 -3,-2.9 2,-0.0 2,-0.4 -0.964 65.2 179.8-147.4 116.8 107.6 54.0 27.0 54 56 A L E -BC 49 69A 2 15,-2.9 15,-2.8 -2,-0.4 2,-0.5 -0.971 19.2-157.0-125.3 141.9 106.2 53.0 23.6 55 57 A H E -BC 48 68A 70 -7,-2.2 -7,-1.8 -2,-0.4 -8,-1.5 -0.967 32.3-177.1-106.9 125.1 104.8 54.8 20.6 56 58 A R E -BC 46 67A 6 11,-3.5 11,-2.0 -2,-0.5 2,-0.5 -0.845 28.3-148.9-130.0 160.7 102.6 52.5 18.5 57 59 A R E -BC 45 66A 71 -12,-2.4 -12,-2.4 -2,-0.3 2,-0.4 -0.990 15.9-165.5-126.0 124.9 100.5 52.2 15.4 58 60 A L E -BC 44 65A 8 7,-3.6 7,-2.7 -2,-0.5 2,-0.8 -0.938 9.1-150.5-110.8 134.6 97.5 49.8 15.3 59 61 A Y E +BC 43 64A 50 -16,-3.0 -17,-3.6 -2,-0.4 -16,-1.0 -0.888 23.8 169.8-105.7 103.2 95.9 48.8 12.0 60 62 A L E > - C 0 63A 5 3,-2.9 3,-2.3 -2,-0.8 -19,-0.1 -0.677 50.6 -74.3-102.6 164.9 92.2 48.1 12.5 61 63 A P T 3 S- 0 0 41 0, 0.0 -1,-0.1 0, 0.0 -20,-0.0 -0.357 117.7 -7.9 -66.5 133.1 89.7 47.6 9.7 62 64 A G T 3 S+ 0 0 91 1,-0.1 2,-0.3 -2,-0.0 -3,-0.0 0.684 127.8 85.2 54.1 22.2 88.9 51.0 8.1 63 65 A L E < -C 60 0A 31 -3,-2.3 -3,-2.9 2,-0.0 2,-0.5 -0.882 55.4-164.2-159.1 122.9 90.9 52.6 10.9 64 66 A V E -C 59 0A 90 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.905 16.1-171.9-105.5 130.8 94.5 53.5 11.8 65 67 A V E -C 58 0A 12 -7,-2.7 -7,-3.6 -2,-0.5 2,-0.4 -0.973 7.3-169.8-120.9 134.4 95.3 54.4 15.4 66 68 A E E +C 57 0A 86 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.959 20.8 156.6-116.8 138.7 98.6 55.8 16.9 67 69 A D E -C 56 0A 8 -11,-2.0 -11,-3.5 -2,-0.4 2,-0.3 -0.962 35.8-122.0-151.5 172.6 99.2 56.0 20.6 68 70 A E E -CD 55 80A 36 12,-2.3 12,-2.7 -2,-0.3 2,-0.4 -0.881 19.8-162.3-114.7 149.5 101.7 56.2 23.4 69 71 A V E -CD 54 79A 0 -15,-2.8 -15,-2.9 -2,-0.3 2,-0.5 -0.996 1.3-163.6-134.2 125.5 101.9 53.7 26.2 70 72 A V E -CD 53 78A 36 8,-2.5 8,-2.6 -2,-0.4 2,-0.5 -0.942 9.2-158.0-107.9 126.9 103.8 54.4 29.5 71 73 A L E - D 0 77A 12 -19,-3.3 2,-0.5 -2,-0.5 6,-0.2 -0.910 10.4-174.0-106.2 127.5 104.6 51.4 31.7 72 74 A K E >> - D 0 76A 126 4,-3.3 3,-3.4 -2,-0.5 4,-1.9 -0.824 39.1-109.6-116.8 92.3 105.2 51.8 35.4 73 75 A A T 34 S- 0 0 75 -2,-0.5 -2,-0.0 1,-0.3 -21,-0.0 -0.411 88.3 -0.9 -67.6 137.3 106.3 48.3 36.7 74 76 A P T 34 S+ 0 0 59 0, 0.0 -1,-0.3 0, 0.0 -50,-0.1 -0.555 130.0 47.4-110.1 59.5 104.7 46.7 38.4 75 77 A D T <4 S+ 0 0 71 -3,-3.4 21,-3.2 1,-0.3 2,-0.3 0.754 98.4 4.2-126.0 -41.3 101.6 48.9 38.8 76 78 A S E < -DE 72 95A 23 -4,-1.9 -4,-3.3 19,-0.2 2,-0.4 -0.994 35.2-147.2-160.9 158.0 100.2 50.4 35.7 77 79 A A E -DE 71 94A 0 17,-1.9 17,-2.7 -2,-0.3 2,-0.5 -0.997 20.2-162.8-125.2 126.7 99.9 51.0 32.0 78 80 A H E -DE 70 93A 60 -8,-2.6 -8,-2.5 -2,-0.4 2,-0.4 -0.954 5.6-168.9-117.9 118.2 98.8 54.4 30.7 79 81 A Y E +DE 69 92A 3 13,-3.5 13,-2.5 -2,-0.5 2,-0.3 -0.883 11.8 175.9-105.3 134.2 97.6 54.6 27.0 80 82 A S E -DE 68 91A 25 -12,-2.7 -12,-2.3 -2,-0.4 2,-0.4 -0.996 22.0-164.2-147.0 150.1 97.1 57.9 25.4 81 83 A I E - E 0 90A 12 9,-2.5 9,-1.8 -2,-0.3 -14,-0.1 -0.995 23.0-133.8-123.7 126.4 96.1 59.5 22.0 82 84 A K - 0 0 121 -2,-0.4 2,-0.1 7,-0.2 -16,-0.1 -0.628 28.2-122.8 -78.7 137.8 96.7 63.2 21.3 83 85 A P - 0 0 30 0, 0.0 2,-0.2 0, 0.0 5,-0.2 -0.489 31.1-177.5 -82.9 158.9 93.7 64.9 19.7 84 86 A S - 0 0 58 3,-2.3 31,-0.4 -2,-0.1 5,-0.1 -0.633 48.5 -71.1-134.0-173.8 93.9 66.6 16.3 85 87 A A S S+ 0 0 113 -2,-0.2 30,-0.1 1,-0.2 3,-0.0 0.877 129.7 21.1 -53.8 -43.5 91.6 68.5 14.1 86 88 A E S S+ 0 0 99 1,-0.1 2,-0.4 2,-0.0 -1,-0.2 0.705 116.5 59.4-114.9 -16.1 89.6 65.4 13.2 87 89 A V S S- 0 0 67 -5,-0.1 -3,-2.3 185,-0.1 2,-0.3 -0.906 73.3-129.1-112.5 146.1 90.1 62.8 15.8 88 90 A A B -g 274 0B 2 185,-0.9 187,-0.6 -2,-0.4 26,-0.2 -0.613 25.1-140.6 -84.3 145.4 89.3 63.1 19.5 89 91 A G E + F 0 113A 0 24,-2.6 24,-1.0 -2,-0.3 2,-0.3 -0.201 30.3 146.5 -93.3-172.0 92.1 62.2 21.9 90 92 A G E -EF 81 112A 1 -9,-1.8 -9,-2.5 22,-0.3 2,-0.3 -0.981 29.9-117.6 167.0-170.5 91.9 60.4 25.2 91 93 A S E -EF 80 111A 16 20,-1.9 20,-2.2 -2,-0.3 2,-0.4 -0.991 3.1-155.7-153.0 155.1 93.5 58.0 27.6 92 94 A L E -EF 79 110A 0 -13,-2.5 -13,-3.5 -2,-0.3 2,-0.4 -0.986 12.9-165.2-131.9 125.9 93.1 54.7 29.2 93 95 A D E -EF 78 109A 37 16,-2.1 16,-2.8 -2,-0.4 2,-0.5 -0.949 2.3-168.0-109.3 130.2 94.8 53.9 32.6 94 96 A X E -EF 77 108A 0 -17,-2.7 -17,-1.9 -2,-0.4 2,-0.4 -0.983 13.2-179.5-114.9 120.2 95.1 50.3 33.9 95 97 A T E -EF 76 107A 51 12,-2.1 12,-2.3 -2,-0.5 2,-0.3 -0.973 23.4-132.7-127.6 130.5 96.2 50.1 37.5 96 98 A I E - 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