==== 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 18-FEB-05 1YWY . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN PA2021; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR Y.C.LIN,G.LIU,Y.SHEN,A.YEE,C.H.ARROWSMITH,T.SZYPERSKI,NORTHE . 74 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5594.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 40 54.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 24.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 2.7 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 . 0 0.0 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 1.4 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 . 4 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 4.1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 0 1 0 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 1 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 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 23 A M 0 0 88 0, 0.0 2,-0.5 0, 0.0 50,-0.4 0.000 360.0 360.0 360.0 103.9 -3.9 0.2 0.6 2 24 A S - 0 0 64 48,-0.1 13,-1.5 52,-0.0 2,-0.2 -0.826 360.0-124.7 -99.1 131.6 -2.2 2.1 -2.2 3 25 A I E -A 14 0A 13 -2,-0.5 2,-0.3 11,-0.2 11,-0.2 -0.472 27.4-156.7 -73.7 143.1 -0.1 5.1 -1.4 4 26 A E E -A 13 0A 83 9,-1.1 9,-0.9 -2,-0.2 2,-0.3 -0.798 6.1-158.8-119.7 162.1 -1.0 8.3 -3.1 5 27 A I E -A 12 0A 40 -2,-0.3 2,-0.4 7,-0.2 7,-0.2 -0.984 9.6-156.2-141.4 149.5 0.9 11.5 -4.0 6 28 A D E >> +A 11 0A 66 5,-2.6 4,-2.4 -2,-0.3 5,-1.1 -0.808 19.6 165.2-130.1 89.7 -0.1 15.1 -4.8 7 29 A S T 45S+ 0 0 113 -2,-0.4 -1,-0.1 3,-0.2 5,-0.1 0.760 75.1 68.4 -73.0 -26.2 2.6 16.8 -6.8 8 30 A E T 45S+ 0 0 167 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.937 122.8 13.1 -57.2 -50.8 0.1 19.5 -7.7 9 31 A Q T 45S- 0 0 148 2,-0.2 -2,-0.2 -3,-0.1 -1,-0.2 0.627 105.7-119.9 -99.1 -20.2 -0.0 20.7 -4.1 10 32 A G T <5S+ 0 0 34 -4,-2.4 15,-1.8 1,-0.3 16,-0.3 0.654 70.6 129.7 87.2 19.0 3.0 18.8 -3.0 11 33 A V E < -AB 6 24A 30 -5,-1.1 -5,-2.6 13,-0.2 2,-0.4 -0.623 48.0-141.3-102.7 163.3 1.1 16.9 -0.4 12 34 A C E +AB 5 23A 1 11,-3.7 11,-1.2 -7,-0.2 2,-0.3 -0.968 17.8 177.4-127.4 142.5 0.9 13.2 0.2 13 35 A S E -A 4 0A 23 -9,-0.9 -9,-1.1 -2,-0.4 2,-0.3 -0.967 14.0-151.4-148.8 128.1 -2.1 11.0 1.1 14 36 A V E -A 3 0A 3 -2,-0.3 6,-0.6 -11,-0.2 2,-0.5 -0.704 15.2-132.4 -99.0 151.2 -2.3 7.3 1.6 15 37 A E + 0 0 76 -13,-1.5 2,-0.2 -2,-0.3 -2,-0.0 -0.891 29.2 164.4-107.4 131.8 -5.5 5.3 1.0 16 38 A I S S- 0 0 34 -2,-0.5 -2,-0.0 -15,-0.1 -13,-0.0 -0.685 75.8 -62.8-148.0 86.9 -6.7 2.7 3.6 17 39 A E S S+ 0 0 205 -2,-0.2 -2,-0.0 1,-0.1 0, 0.0 0.804 142.4 27.5 37.5 37.8 -10.3 1.6 3.1 18 40 A G S S- 0 0 44 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.404 91.4-136.3 143.8 61.0 -11.1 5.2 3.7 19 41 A S + 0 0 63 1,-0.1 -4,-0.2 -6,-0.1 -2,-0.0 -0.078 41.0 152.2 -39.5 124.1 -8.3 7.6 2.8 20 42 A R + 0 0 220 -6,-0.6 2,-0.2 0, 0.0 -1,-0.1 -0.173 31.3 107.0-155.6 48.2 -8.1 10.1 5.6 21 43 A H + 0 0 43 -7,-0.3 2,-0.2 2,-0.0 -8,-0.0 -0.698 33.7 175.0-122.9 175.3 -4.5 11.4 5.6 22 44 A R + 0 0 194 -2,-0.2 -9,-0.2 2,-0.1 -11,-0.0 -0.649 18.4 124.1 175.8 123.7 -2.7 14.6 4.7 23 45 A A E -B 12 0A 17 -11,-1.2 -11,-3.7 -2,-0.2 2,-0.2 -0.960 57.2 -72.7-175.0 166.7 0.9 15.8 5.0 24 46 A P E > -B 11 0A 52 0, 0.0 3,-2.6 0, 0.0 -13,-0.2 -0.480 33.8-129.8 -75.0 142.6 3.9 17.2 3.0 25 47 A V G > S+ 0 0 14 -15,-1.8 3,-1.0 1,-0.3 39,-0.2 0.747 111.7 64.9 -61.0 -23.4 5.8 14.8 0.8 26 48 A D G 3 S+ 0 0 116 -16,-0.3 -1,-0.3 1,-0.3 -15,-0.1 0.440 94.6 62.0 -78.4 0.2 8.9 16.1 2.6 27 49 A S G < S+ 0 0 67 -3,-2.6 17,-0.6 2,-0.0 -1,-0.3 -0.140 83.5 110.3-116.1 34.2 7.4 14.5 5.7 28 50 A L E < -C 43 0B 5 -3,-1.0 36,-0.8 34,-0.2 2,-0.3 -0.667 41.7-175.5-107.1 163.5 7.5 11.0 4.4 29 51 A R E -Cd 42 64B 146 13,-0.8 13,-2.7 -2,-0.2 2,-0.4 -0.941 16.4-140.4-161.4 136.7 9.7 8.1 5.5 30 52 A I E +C 41 0B 6 34,-0.6 2,-0.2 -2,-0.3 11,-0.2 -0.810 26.3 173.1-102.2 141.0 10.2 4.5 4.3 31 53 A G E -C 40 0B 12 9,-2.4 9,-3.1 -2,-0.4 2,-0.4 -0.776 25.7-115.8-135.6 179.1 10.7 1.6 6.7 32 54 A T E -C 39 0B 77 7,-0.3 2,-0.6 -2,-0.2 7,-0.3 -0.952 11.0-150.2-124.7 143.0 11.0 -2.1 6.8 33 55 A D E >>> -C 38 0B 15 5,-4.3 5,-2.0 -2,-0.4 3,-1.3 -0.908 8.1-174.0-115.7 102.8 8.8 -4.7 8.4 34 56 A A T 345S+ 0 0 86 -2,-0.6 -1,-0.1 1,-0.3 5,-0.1 0.603 79.0 81.3 -67.9 -10.6 10.6 -7.8 9.5 35 57 A E T 345S+ 0 0 167 1,-0.2 -1,-0.3 3,-0.1 -2,-0.0 0.879 121.2 0.9 -61.6 -39.8 7.2 -9.2 10.3 36 58 A A T <45S- 0 0 66 -3,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.138 103.0-111.8-133.2 13.5 6.7 -10.1 6.6 37 59 A R T <5S+ 0 0 218 -4,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.920 77.6 126.3 52.1 49.7 10.1 -8.9 5.4 38 60 A L E < -C 33 0B 50 -5,-2.0 -5,-4.3 13,-0.0 2,-0.2 -0.881 64.4 -98.9-133.1 163.9 8.4 -6.1 3.4 39 61 A S E -C 32 0B 5 -2,-0.3 11,-0.7 -7,-0.3 -7,-0.3 -0.593 36.6-162.3 -85.1 145.3 8.8 -2.3 3.2 40 62 A V E -CE 31 49B 1 -9,-3.1 -9,-2.4 -2,-0.2 2,-0.4 -0.723 10.9-128.3-121.2 171.3 6.5 -0.0 5.1 41 63 A L E -CE 30 48B 2 7,-1.4 7,-1.4 -2,-0.2 2,-0.5 -0.944 9.6-147.1-124.5 145.2 5.5 3.6 4.9 42 64 A Y E +C 29 0B 94 -13,-2.7 -13,-0.8 -2,-0.4 2,-0.5 -0.951 19.6 171.5-116.9 116.6 5.5 6.3 7.6 43 65 A I E > S-C 28 0B 4 -2,-0.5 3,-0.6 3,-0.2 -15,-0.1 -0.941 79.3 -15.2-127.8 108.2 2.9 9.0 7.5 44 66 A D T 3 S- 0 0 159 -17,-0.6 -16,-0.1 -2,-0.5 -1,-0.1 0.367 130.6 -55.6 82.0 -4.7 2.6 11.3 10.4 45 67 A G T 3 S+ 0 0 60 1,-0.3 -1,-0.2 -16,-0.1 2,-0.1 0.542 106.3 131.5 109.5 15.6 4.7 8.7 12.3 46 68 A K < - 0 0 78 -3,-0.6 2,-0.4 2,-0.0 -1,-0.3 -0.432 49.9-134.2 -93.2 170.3 2.4 5.8 11.6 47 69 A R + 0 0 126 -5,-0.2 2,-0.3 -2,-0.1 -5,-0.2 -0.965 35.0 149.9-132.9 115.6 3.3 2.3 10.4 48 70 A L E -E 41 0B 10 -7,-1.4 -7,-1.4 -2,-0.4 2,-0.7 -0.846 46.6-102.5-136.3 171.2 1.4 0.6 7.6 49 71 A H E +E 40 0B 104 -2,-0.3 2,-0.2 -9,-0.2 -9,-0.2 -0.888 42.5 176.9-103.2 115.5 2.0 -1.9 4.9 50 72 A I - 0 0 8 -11,-0.7 -11,-0.1 -2,-0.7 -48,-0.1 -0.623 35.9 -83.8-110.8 171.2 2.3 -0.4 1.4 51 73 A S > - 0 0 66 -50,-0.4 4,-1.7 -2,-0.2 5,-0.1 -0.385 33.0-123.1 -74.0 152.8 3.0 -1.8 -2.0 52 74 A E H > S+ 0 0 150 2,-0.2 4,-1.3 1,-0.2 3,-0.5 0.966 114.4 40.8 -58.6 -57.2 6.6 -2.3 -3.1 53 75 A E H > S+ 0 0 146 1,-0.3 4,-2.3 2,-0.2 3,-0.2 0.868 114.7 53.4 -59.2 -38.7 6.2 -0.2 -6.2 54 76 A D H > S+ 0 0 27 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.787 105.9 54.4 -66.5 -27.9 4.2 2.2 -4.2 55 77 A A H X S+ 0 0 6 -4,-1.7 4,-0.9 -3,-0.5 -1,-0.2 0.778 108.3 49.5 -75.1 -28.1 7.1 2.3 -1.8 56 78 A Q H X S+ 0 0 56 -4,-1.3 4,-2.2 -3,-0.2 3,-0.3 0.895 110.2 48.3 -76.2 -43.3 9.4 3.2 -4.6 57 79 A R H X S+ 0 0 166 -4,-2.3 4,-2.7 1,-0.2 6,-0.2 0.807 102.3 65.7 -66.1 -30.6 7.2 6.0 -5.9 58 80 A L H <>S+ 0 0 3 -4,-1.3 5,-2.3 2,-0.2 4,-0.4 0.914 107.6 39.5 -56.8 -45.6 6.9 7.3 -2.4 59 81 A V H ><5S+ 0 0 6 -4,-0.9 3,-2.4 -3,-0.3 -2,-0.2 0.934 112.3 55.3 -69.4 -48.1 10.6 8.1 -2.4 60 82 A V H 3<5S+ 0 0 79 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.852 101.3 60.0 -52.3 -37.0 10.6 9.3 -6.0 61 83 A A T 3<5S- 0 0 36 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.745 136.7 -90.7 -63.0 -23.3 7.9 11.7 -4.9 62 84 A G T < 5S+ 0 0 41 -3,-2.4 -3,-0.2 -4,-0.4 -2,-0.2 0.352 80.2 146.0 125.3 2.8 10.5 13.0 -2.5 63 85 A A < - 0 0 2 -5,-2.3 -1,-0.3 -6,-0.2 -34,-0.2 -0.274 58.6 -89.0 -67.3 156.0 9.8 10.8 0.5 64 86 A E B -d 29 0B 88 -36,-0.8 -34,-0.6 -39,-0.2 2,-0.6 -0.372 35.5-143.6 -67.6 144.4 12.7 9.7 2.7 65 87 A D + 0 0 34 -36,-0.2 5,-0.2 1,-0.1 -34,-0.1 -0.940 43.2 140.0-116.4 110.4 14.5 6.5 1.7 66 88 A Q + 0 0 102 -2,-0.6 -1,-0.1 -36,-0.1 3,-0.1 0.436 65.4 68.7-122.5 -10.7 15.6 4.4 4.6 67 89 A R S S- 0 0 87 1,-0.2 2,-0.3 -3,-0.2 -2,-0.1 0.916 116.9 -23.8 -75.5 -46.4 14.8 1.0 3.1 68 90 A R S S- 0 0 176 3,-0.0 2,-0.5 0, 0.0 -1,-0.2 -0.883 86.2 -60.0-153.3-178.5 17.4 1.1 0.4 69 91 A H - 0 0 174 -2,-0.3 -3,-0.1 1,-0.1 0, 0.0 -0.616 67.2 -96.1 -76.5 123.6 19.6 3.4 -1.7 70 92 A L - 0 0 102 -2,-0.5 2,-0.2 -5,-0.2 -1,-0.1 -0.141 59.7-177.1 -41.4 105.4 17.4 5.7 -3.8 71 93 A M + 0 0 98 1,-0.1 3,-0.1 -15,-0.0 -1,-0.1 -0.468 27.7 177.5-104.4 177.6 17.4 3.7 -7.0 72 94 A A + 0 0 76 1,-0.6 2,-0.3 -2,-0.2 -1,-0.1 0.406 65.4 1.9-142.1 -62.1 15.9 4.4 -10.4 73 95 A D 0 0 150 0, 0.0 -1,-0.6 0, 0.0 0, 0.0 -0.861 360.0 360.0-133.4 167.0 16.7 1.7 -12.9 74 96 A D 0 0 206 -2,-0.3 -3,-0.0 -3,-0.1 0, 0.0 -0.985 360.0 360.0-125.1 360.0 18.5 -1.7 -12.9