==== 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 24-JUN-04 1TU1 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN PA0094; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR J.OSIPIUK,E.EVDOKIMOVA,A.SAVCHENKO,A.EDWARDS,M.CYMBOROWSKI,W . 288 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14915.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 74.0 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 . 118 41.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 2.8 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 . 32 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 15.6 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+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 1 1 0 2 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 . 3 4 0 0 4 0 4 0 2 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 2 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 G 0 0 113 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -95.4 25.3 9.9 -1.6 2 0 A H + 0 0 160 2,-0.0 15,-1.7 0, 0.0 16,-0.4 -0.774 360.0 112.0-111.5 82.0 23.8 10.7 1.8 3 1 A M E -A 16 0A 32 -2,-0.6 2,-0.3 13,-0.3 11,-0.1 -0.924 47.4-144.4-144.6 170.8 26.5 12.9 3.5 4 2 A T E -A 15 0A 79 11,-1.9 11,-2.9 -2,-0.3 2,-0.4 -1.000 29.8-104.8-141.8 142.7 27.2 16.4 4.8 5 3 A L E -A 14 0A 72 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.511 37.5-159.8 -67.3 119.8 30.4 18.6 4.9 6 4 A Y E -A 13 0A 10 7,-3.6 7,-1.9 -2,-0.4 2,-0.5 -0.891 2.4-149.0-111.5 129.5 31.6 18.7 8.5 7 5 A R E +A 12 0A 76 -2,-0.5 147,-0.3 5,-0.2 2,-0.3 -0.827 20.8 166.3-104.7 127.7 33.9 21.5 9.7 8 6 A L - 0 0 3 3,-2.6 3,-0.3 -2,-0.5 145,-0.2 -0.781 49.7-100.8-125.8 175.2 36.5 21.2 12.4 9 7 A H S S+ 0 0 50 -2,-0.3 144,-0.1 143,-0.2 3,-0.1 0.873 119.7 34.5 -66.6 -31.6 39.4 23.5 13.3 10 8 A E S S- 0 0 8 1,-0.1 277,-3.2 142,-0.1 2,-0.3 0.471 127.2 -11.8-103.3 -8.4 42.1 21.4 11.6 11 9 A A E - B 0 286A 0 275,-0.3 -3,-2.6 -3,-0.3 2,-0.3 -0.981 53.7-119.8-174.0 171.7 40.1 20.1 8.6 12 10 A D E +AB 7 285A 29 273,-1.5 273,-2.9 -2,-0.3 2,-0.3 -0.970 31.4 165.1-127.5 149.1 36.9 19.5 6.7 13 11 A L E -A 6 0A 0 -7,-1.9 -7,-3.6 -2,-0.3 2,-0.5 -0.981 39.6-103.3-154.8 160.3 35.4 16.2 5.7 14 12 A E E -A 5 0A 82 266,-0.4 -9,-0.2 -2,-0.3 269,-0.2 -0.780 34.9-162.8 -87.1 126.6 32.1 14.7 4.5 15 13 A I E -A 4 0A 12 -11,-2.9 -11,-1.9 -2,-0.5 261,-0.0 -0.941 24.3-112.9-109.9 126.8 30.3 12.8 7.2 16 14 A P E > -A 3 0A 8 0, 0.0 3,-1.8 0, 0.0 -13,-0.3 -0.299 22.4-130.9 -54.7 133.2 27.5 10.2 6.4 17 15 A D T 3 S+ 0 0 91 -15,-1.7 -14,-0.1 1,-0.3 -2,-0.0 0.761 105.3 65.4 -60.0 -26.0 24.1 11.6 7.7 18 16 A A T 3 S+ 0 0 72 -16,-0.4 -1,-0.3 2,-0.1 2,-0.2 0.700 81.9 97.9 -70.3 -20.4 23.5 8.2 9.4 19 17 A W S < S- 0 0 19 -3,-1.8 2,-0.6 155,-0.1 155,-0.2 -0.501 74.4-131.8 -70.3 141.1 26.4 8.8 11.8 20 18 A Q E -C 173 0B 100 153,-2.5 153,-2.5 -2,-0.2 2,-0.4 -0.828 17.3-135.5-100.1 122.2 25.6 10.1 15.2 21 19 A D E +C 172 0B 52 -2,-0.6 151,-0.2 151,-0.2 25,-0.2 -0.640 35.6 159.5 -83.7 124.7 27.7 13.1 16.4 22 20 A Q + 0 0 87 149,-3.6 150,-0.2 -2,-0.4 -1,-0.1 -0.022 25.1 156.8-127.4 22.4 29.0 13.0 20.0 23 21 A S - 0 0 1 148,-0.5 2,-0.4 20,-0.1 21,-0.3 -0.166 21.5-167.4 -60.5 141.9 31.8 15.5 19.5 24 22 A I B -I 169 0C 57 145,-2.9 145,-3.1 19,-0.1 2,-0.5 -0.991 11.8-152.7-132.3 123.9 33.2 17.5 22.5 25 23 A N E -J 42 0D 2 17,-2.7 17,-2.6 -2,-0.4 2,-0.5 -0.860 20.6-165.7 -90.3 131.0 35.5 20.5 22.4 26 24 A I E +J 41 0D 37 -2,-0.5 141,-3.1 15,-0.2 142,-0.5 -0.984 12.9 175.6-127.8 126.0 37.6 20.7 25.5 27 25 A F E -JK 40 166D 3 13,-2.1 13,-2.8 -2,-0.5 2,-0.5 -0.991 16.9-151.0-128.8 132.0 39.6 23.6 26.7 28 26 A K E -JK 39 165D 51 137,-1.8 137,-2.0 -2,-0.4 11,-0.2 -0.943 10.5-145.8-105.0 125.0 41.5 23.8 30.0 29 27 A L E -J 38 0D 3 9,-2.3 9,-1.8 -2,-0.5 135,-0.1 -0.820 34.6-109.3 -89.3 117.5 41.9 27.3 31.5 30 28 A P - 0 0 54 0, 0.0 -1,-0.1 0, 0.0 134,-0.0 -0.038 26.6-109.3 -55.9 141.2 45.3 27.4 33.3 31 29 A A - 0 0 60 6,-0.1 2,-0.3 3,-0.0 5,-0.2 -0.275 34.7-169.8 -54.6 155.5 45.7 27.5 37.0 32 30 A S B > -P 35 0E 67 3,-2.0 3,-1.7 5,-0.0 95,-0.0 -0.823 52.2 -44.8-158.4 109.6 46.9 30.8 38.4 33 31 A G T 3 S- 0 0 74 -2,-0.3 -2,-0.0 1,-0.3 0, 0.0 -0.523 127.3 -13.0 68.6-121.9 48.0 31.3 42.0 34 32 A P T 3 S+ 0 0 118 0, 0.0 2,-0.4 0, 0.0 -1,-0.3 0.568 116.0 98.5 -87.1 -13.1 45.5 29.7 44.3 35 33 A A B < -P 32 0E 5 -3,-1.7 -3,-2.0 89,-0.1 3,-0.1 -0.644 69.4-140.0 -75.0 128.4 42.9 29.3 41.5 36 34 A R - 0 0 178 -2,-0.4 85,-0.1 -5,-0.2 2,-0.1 -0.326 33.1 -76.1 -81.2 167.0 43.0 25.7 40.1 37 35 A E - 0 0 99 -6,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.414 50.3-160.0 -61.0 135.0 42.6 24.8 36.4 38 36 A A E -J 29 0D 4 -9,-1.8 -9,-2.3 -2,-0.1 2,-0.4 -0.676 7.9-130.1-108.3 169.8 39.0 25.1 35.1 39 37 A S E -JL 28 119D 27 80,-1.9 80,-2.7 -11,-0.2 2,-0.4 -0.962 10.9-165.7-123.6 146.0 37.5 23.5 32.0 40 38 A F E -JL 27 118D 0 -13,-2.8 -13,-2.1 -2,-0.4 2,-0.4 -0.987 21.3-177.1-128.2 116.0 35.4 25.0 29.2 41 39 A V E -JL 26 117D 33 76,-2.4 76,-2.1 -2,-0.4 2,-0.5 -0.944 18.8-154.4-126.2 132.4 33.6 22.3 27.2 42 40 A I E +JL 25 116D 1 -17,-2.6 -17,-2.7 -2,-0.4 2,-0.2 -0.952 25.3 167.6-108.3 124.2 31.4 22.5 24.1 43 41 A S E - L 0 115D 32 72,-2.7 72,-2.7 -2,-0.5 2,-0.3 -0.713 25.2-131.2-129.3 169.8 28.9 19.7 23.6 44 42 A R E - L 0 114D 32 -21,-0.3 2,-0.4 -2,-0.2 70,-0.2 -0.972 9.7-166.2-126.4 147.5 25.9 18.9 21.4 45 43 A D E + L 0 113D 35 68,-2.0 68,-2.7 -2,-0.3 3,-0.5 -0.925 7.9 179.4-139.1 107.5 22.4 17.7 22.3 46 44 A A + 0 0 76 -2,-0.4 3,-0.4 66,-0.3 -1,-0.1 0.218 60.8 96.2 -90.8 14.6 20.2 16.4 19.4 47 45 A S + 0 0 56 1,-0.2 -1,-0.2 66,-0.1 65,-0.1 0.459 58.0 84.1 -85.7 -4.7 17.3 15.5 21.8 48 46 A Q > + 0 0 10 -3,-0.5 3,-1.6 1,-0.1 -1,-0.2 0.950 60.7 161.6 -62.6 -48.0 15.3 18.8 21.3 49 47 A G T 3 S- 0 0 34 -3,-0.4 -1,-0.1 62,-0.3 -2,-0.1 -0.365 71.5 -26.0 59.7-133.5 13.6 17.5 18.1 50 48 A D T 3 S+ 0 0 164 -2,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.342 105.8 118.9 -97.1 10.9 10.5 19.6 17.4 51 49 A A S < S- 0 0 40 -3,-1.6 5,-0.0 1,-0.1 -3,-0.0 -0.427 78.2 -93.0 -69.4 147.2 9.8 20.6 21.0 52 50 A P >> - 0 0 75 0, 0.0 4,-1.8 0, 0.0 3,-0.5 -0.368 32.4-123.4 -55.4 140.3 9.8 24.3 21.9 53 51 A F H 3> S+ 0 0 19 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.815 111.5 59.4 -56.8 -36.1 13.3 25.3 23.1 54 52 A A H 3> S+ 0 0 61 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.886 106.4 46.7 -60.8 -41.0 11.8 26.6 26.3 55 53 A D H <> S+ 0 0 98 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.857 109.9 53.7 -68.0 -39.6 10.5 23.1 27.1 56 54 A Y H X S+ 0 0 2 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.949 111.3 45.5 -58.0 -48.7 13.9 21.6 26.2 57 55 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.894 109.9 54.4 -63.9 -38.8 15.6 23.9 28.6 58 56 A A H X S+ 0 0 52 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.893 107.2 51.9 -61.6 -39.3 13.0 23.1 31.3 59 57 A R H X S+ 0 0 89 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.881 106.6 52.8 -65.1 -40.6 13.7 19.4 30.9 60 58 A Q H X S+ 0 0 32 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.919 110.2 48.3 -59.6 -44.5 17.5 20.0 31.3 61 59 A L H X S+ 0 0 18 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.895 112.0 48.8 -64.1 -41.6 16.8 21.8 34.6 62 60 A E H X S+ 0 0 111 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.861 110.4 51.6 -64.7 -40.7 14.5 19.0 35.8 63 61 A N H X S+ 0 0 52 -4,-2.7 4,-1.9 2,-0.2 5,-0.2 0.890 111.1 48.3 -61.5 -38.8 17.1 16.5 34.8 64 62 A A H X S+ 0 0 12 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.891 111.5 48.8 -71.0 -40.3 19.7 18.4 36.9 65 63 A E H < S+ 0 0 99 -4,-2.2 -1,-0.2 1,-0.2 6,-0.2 0.881 119.5 38.9 -63.2 -39.2 17.4 18.7 39.9 66 64 A K H < S+ 0 0 138 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.743 125.6 32.0 -87.2 -25.7 16.6 15.0 39.8 67 65 A Q H < S+ 0 0 138 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.620 100.5 75.2-112.6 -17.6 20.0 13.5 38.9 68 66 A L S >< S- 0 0 40 -4,-1.8 3,-1.9 -5,-0.2 -1,-0.1 -0.877 76.7-130.9-107.8 107.3 22.7 15.8 40.4 69 67 A P T 3 S+ 0 0 74 0, 0.0 25,-3.1 0, 0.0 -3,-0.1 -0.235 92.1 12.0 -50.9 134.8 23.2 15.5 44.2 70 68 A G T 3 S+ 0 0 51 23,-0.2 22,-0.1 1,-0.2 25,-0.1 0.603 87.1 175.7 73.6 13.9 23.2 18.8 45.9 71 69 A F < + 0 0 37 -3,-1.9 2,-0.3 -7,-0.2 22,-0.2 -0.252 3.0 171.6 -57.1 134.5 21.9 20.6 42.9 72 70 A K E -M 92 0D 136 20,-2.4 20,-2.1 0, 0.0 2,-0.6 -0.902 25.8-140.9-149.0 119.1 21.2 24.3 43.5 73 71 A L E +M 91 0D 69 -2,-0.3 18,-0.2 18,-0.2 3,-0.1 -0.679 17.8 178.8 -80.8 117.6 20.4 26.9 40.8 74 72 A H E - 0 0 96 16,-2.1 2,-0.3 -2,-0.6 17,-0.2 0.946 66.1 -14.3 -76.1 -55.3 22.0 30.3 41.4 75 73 A K E -M 90 0D 99 15,-1.7 15,-3.0 2,-0.0 2,-0.4 -0.983 49.2-153.8-157.9 139.8 20.7 32.2 38.4 76 74 A R E -M 89 0D 90 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.931 14.6-170.6-113.8 136.9 18.9 31.7 35.0 77 75 A W E -M 88 0D 91 11,-2.7 11,-2.7 -2,-0.4 2,-0.6 -0.989 13.5-152.4-131.2 123.7 19.3 34.1 32.2 78 76 A D E +M 87 0D 113 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.864 35.5 164.6 -93.2 117.9 17.3 34.1 28.9 79 77 A I E -M 86 0D 68 7,-2.4 7,-2.2 -2,-0.6 2,-0.5 -0.842 37.2-125.2-135.1 166.9 19.5 35.7 26.3 80 78 A N E -M 85 0D 109 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.970 16.2-168.8-115.6 128.2 19.9 36.2 22.6 81 79 A I E > S-M 84 0D 21 3,-2.7 3,-2.4 -2,-0.5 -2,-0.0 -0.925 77.2 -37.1-118.9 102.8 23.2 35.2 20.8 82 80 A H T 3 S- 0 0 115 -2,-0.6 -1,-0.1 1,-0.3 3,-0.1 0.881 124.2 -44.7 48.3 45.7 23.3 36.5 17.3 83 81 A G T 3 S+ 0 0 57 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.252 114.4 120.3 88.3 -11.8 19.6 35.9 16.9 84 82 A H E < -M 81 0D 47 -3,-2.4 -3,-2.7 1,-0.0 -1,-0.3 -0.722 67.6-119.2 -86.3 131.7 19.8 32.4 18.5 85 83 A A E +M 80 0D 38 -2,-0.4 23,-2.9 -5,-0.2 2,-0.3 -0.472 42.6 173.4 -63.6 136.8 17.7 31.7 21.6 86 84 A A E -MN 79 107D 4 -7,-2.2 -7,-2.4 21,-0.2 2,-0.4 -0.982 24.4-155.0-146.7 152.1 19.9 30.8 24.5 87 85 A V E -MN 78 106D 5 19,-2.1 19,-2.9 -2,-0.3 2,-0.5 -0.995 7.4-156.3-129.1 127.4 19.7 30.2 28.3 88 86 A L E -MN 77 105D 14 -11,-2.7 -11,-2.7 -2,-0.4 2,-0.5 -0.910 10.7-169.7 -96.1 126.2 22.6 30.6 30.8 89 87 A L E -MN 76 104D 3 15,-2.6 15,-2.4 -2,-0.5 2,-0.6 -0.975 6.5-164.6-117.5 115.1 22.2 28.5 34.0 90 88 A D E +MN 75 103D 10 -15,-3.0 -16,-2.1 -2,-0.5 -15,-1.7 -0.892 32.8 146.4 -93.9 117.3 24.6 29.2 36.8 91 89 A Y E -MN 73 102D 13 11,-2.2 11,-3.5 -2,-0.6 2,-0.3 -0.973 36.5-143.9-149.0 163.9 24.4 26.3 39.2 92 90 A Q E +MN 72 101D 41 -20,-2.1 -20,-2.4 -2,-0.3 2,-0.3 -0.890 17.0 173.5-123.0 154.7 26.3 24.2 41.7 93 91 A W E - 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