==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-JAN-10 3LLB . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR R.ZHANG,O.KAGAN,A.SAVCHENKO,A.JOACHIMIAK,A.EDWARDS,MIDWEST . 81 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5058.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 51 63.0 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 . 26 32.1 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 . 1 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 2.5 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 . 6 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 17.3 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 1 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 . 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 0 1 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 S 0 0 135 0, 0.0 13,-0.1 0, 0.0 16,-0.1 0.000 360.0 360.0 360.0 -69.0 28.0 3.8 9.9 2 2 A Y + 0 0 86 11,-0.1 12,-2.7 1,-0.1 2,-0.3 0.867 360.0 36.0 -76.5 -35.3 24.8 2.3 8.4 3 3 A I E -A 13 0A 44 10,-0.2 10,-0.2 8,-0.0 -1,-0.1 -0.873 55.5-162.8-124.7 152.0 25.3 3.3 4.7 4 4 A K E -A 12 0A 126 8,-2.2 8,-2.5 -2,-0.3 2,-0.2 -0.974 23.2-134.2-132.5 114.3 28.2 3.5 2.3 5 5 A P E -A 11 0A 89 0, 0.0 6,-0.2 0, 0.0 5,-0.1 -0.489 16.6-154.0 -69.0 139.7 27.7 5.5 -0.9 6 6 A L > - 0 0 27 4,-2.8 3,-2.2 -2,-0.2 -2,-0.0 -0.834 24.1-120.4-112.7 150.4 28.9 4.0 -4.1 7 7 A P T 3 S+ 0 0 140 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.682 110.8 66.2 -70.7 -13.2 29.9 6.0 -7.3 8 8 A S T 3 S- 0 0 74 2,-0.0 3,-0.1 1,-0.0 0, 0.0 0.578 122.1-106.0 -68.6 -16.8 27.2 4.2 -9.3 9 9 A G S < S+ 0 0 44 -3,-2.2 2,-0.1 1,-0.4 -1,-0.0 0.272 87.6 115.4 97.9 -7.8 24.7 6.0 -7.1 10 10 A D - 0 0 22 69,-0.1 -4,-2.8 -5,-0.1 -1,-0.4 -0.196 55.4-137.0 -82.0 175.5 23.8 2.8 -5.2 11 11 A F E -AB 5 78A 55 67,-1.8 67,-3.0 -6,-0.2 2,-0.6 -0.983 10.6-132.6-135.8 146.0 24.5 2.3 -1.6 12 12 A I E -AB 4 77A 38 -8,-2.5 -8,-2.2 -2,-0.4 2,-0.4 -0.931 34.6-168.0 -90.7 124.8 25.8 -0.5 0.7 13 13 A V E -AB 3 76A 0 63,-2.9 63,-2.3 -2,-0.6 -10,-0.2 -0.966 19.1-127.0-120.0 126.1 23.3 -0.7 3.6 14 14 A K E > - B 0 75A 82 -12,-2.7 3,-1.5 -2,-0.4 24,-0.3 -0.486 16.4-132.5 -68.1 138.1 23.9 -2.7 6.8 15 15 A A T 3 S+ 0 0 7 59,-2.6 24,-2.6 1,-0.2 25,-0.4 0.817 105.6 62.9 -59.9 -28.9 21.0 -5.1 7.6 16 16 A L T 3 S+ 0 0 109 58,-0.4 -1,-0.2 22,-0.2 3,-0.1 0.575 74.1 124.7 -74.9 -10.7 21.0 -3.7 11.2 17 17 A T < - 0 0 0 -3,-1.5 21,-2.2 -15,-0.2 22,-0.2 -0.358 69.4-116.3 -47.8 118.6 20.0 -0.2 10.0 18 18 A P B > -E 37 0B 27 0, 0.0 4,-2.4 0, 0.0 19,-0.3 -0.339 14.7-126.6 -53.7 138.9 16.8 0.8 11.7 19 19 A V H > S+ 0 0 1 17,-1.7 4,-2.7 2,-0.2 5,-0.2 0.881 111.8 56.5 -56.9 -38.3 13.9 1.3 9.3 20 20 A D H > S+ 0 0 95 16,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.922 110.1 45.8 -57.6 -44.9 13.4 4.9 10.8 21 21 A A H > S+ 0 0 15 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.900 111.3 52.0 -62.2 -46.6 17.1 5.7 9.9 22 22 A F H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 6,-0.3 0.917 108.1 49.9 -58.8 -49.3 16.7 4.1 6.4 23 23 A N H X S+ 0 0 20 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.859 110.3 53.2 -57.5 -37.9 13.5 6.2 5.6 24 24 A D H < S+ 0 0 147 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.883 113.5 41.5 -64.9 -38.2 15.4 9.3 6.7 25 25 A F H < S+ 0 0 101 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.900 128.2 27.5 -72.4 -46.2 18.4 8.6 4.4 26 26 A F H < S- 0 0 31 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.467 96.8-118.3-109.0 -2.7 16.4 7.5 1.4 27 27 A G < + 0 0 63 -4,-2.0 -4,-0.2 -5,-0.3 -3,-0.1 0.538 65.8 140.2 81.1 8.5 13.0 9.2 1.5 28 28 A S - 0 0 19 -6,-0.3 -1,-0.2 -5,-0.1 31,-0.0 -0.091 50.5-142.1 -77.5 172.7 11.2 5.9 1.7 29 29 A E + 0 0 187 -3,-0.1 -1,-0.1 2,-0.0 -9,-0.1 -0.152 36.6 157.2-134.1 41.2 8.1 5.2 3.8 30 30 A F - 0 0 28 -11,-0.2 2,-0.7 1,-0.1 -7,-0.1 -0.333 55.0 -93.5 -65.0 145.7 8.7 1.6 5.1 31 31 A S > - 0 0 39 1,-0.2 4,-2.3 2,-0.1 -1,-0.1 -0.571 33.1-173.1 -74.2 111.8 6.7 0.8 8.3 32 32 A D T 4 S+ 0 0 91 -2,-0.7 -1,-0.2 1,-0.2 -12,-0.1 0.540 91.2 55.6 -76.0 -11.3 8.8 1.5 11.4 33 33 A E T 4 S+ 0 0 169 1,-0.0 -1,-0.2 -3,-0.0 3,-0.1 0.764 114.7 35.9 -81.8 -39.6 5.8 -0.1 13.3 34 34 A E T 4 S+ 0 0 145 1,-0.2 2,-0.4 -3,-0.1 -2,-0.2 0.741 124.1 40.0 -85.2 -29.2 5.9 -3.4 11.3 35 35 A F < - 0 0 49 -4,-2.3 -16,-0.2 1,-0.1 -1,-0.2 -0.984 50.0-171.8-128.9 139.7 9.7 -3.6 10.9 36 36 A D S S+ 0 0 139 -2,-0.4 -17,-1.7 1,-0.2 -16,-0.3 0.877 74.8 14.3 -90.1 -44.3 12.6 -2.9 13.1 37 37 A T B > S-E 18 0B 48 -19,-0.3 4,-1.9 -18,-0.1 -1,-0.2 -0.879 72.8-111.0-133.3 159.7 15.6 -3.2 10.7 38 38 A V H > S+ 0 0 0 -21,-2.2 4,-2.8 -23,-0.3 5,-0.2 0.861 118.5 56.0 -53.4 -41.8 16.3 -3.3 7.0 39 39 A G H > S+ 0 0 7 -24,-2.6 4,-3.1 1,-0.2 5,-0.2 0.902 107.4 49.2 -63.0 -42.8 17.3 -7.0 7.3 40 40 A G H > S+ 0 0 33 -25,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.874 110.8 50.3 -55.6 -42.6 13.9 -7.8 8.8 41 41 A L H X S+ 0 0 5 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.944 116.9 40.8 -59.6 -50.9 12.2 -5.9 6.0 42 42 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.913 113.2 52.2 -66.7 -44.0 14.2 -7.9 3.4 43 43 A M H X S+ 0 0 63 -4,-3.1 4,-2.9 1,-0.2 5,-0.5 0.884 109.6 51.0 -66.4 -33.3 13.9 -11.3 5.2 44 44 A S H < S+ 0 0 69 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.933 109.0 50.5 -67.6 -41.6 10.2 -10.9 5.4 45 45 A A H < S+ 0 0 39 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.886 117.9 39.0 -63.7 -39.2 10.0 -10.1 1.6 46 46 A F H < S- 0 0 35 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.875 92.6-149.3 -71.7 -41.5 12.1 -13.2 0.8 47 47 A G S < S+ 0 0 66 -4,-2.9 2,-0.3 -5,-0.3 -3,-0.1 0.603 74.1 57.2 74.6 8.7 10.4 -15.4 3.5 48 48 A H S S- 0 0 93 -5,-0.5 -1,-0.2 0, 0.0 -2,-0.2 -0.936 103.6 -82.2-152.2 168.2 13.7 -17.3 3.8 49 49 A L - 0 0 62 -2,-0.3 2,-0.1 -3,-0.1 23,-0.1 -0.714 56.2-142.6 -75.6 111.6 17.3 -16.6 4.6 50 50 A P - 0 0 2 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.375 3.8-134.6 -78.8 162.1 18.7 -15.4 1.3 51 51 A K > - 0 0 158 1,-0.2 3,-1.8 -2,-0.1 14,-0.3 -0.607 46.7 -65.1-100.6 161.5 22.1 -16.1 -0.1 52 52 A R T 3 S+ 0 0 137 1,-0.2 14,-0.2 -2,-0.2 -1,-0.2 -0.227 120.9 23.6 -43.0 136.0 24.4 -13.6 -1.8 53 53 A N T 3 S+ 0 0 84 12,-3.3 -1,-0.2 1,-0.3 2,-0.2 0.321 82.5 134.6 80.4 -1.6 23.0 -12.1 -5.0 54 54 A E < - 0 0 59 -3,-1.8 11,-3.0 11,-0.1 2,-0.4 -0.520 41.4-156.5 -64.2 142.6 19.3 -12.8 -4.2 55 55 A V E -C 64 0A 69 9,-0.2 2,-0.3 -2,-0.2 9,-0.2 -0.971 18.5-178.9-128.5 140.0 17.4 -9.6 -5.1 56 56 A V E -C 63 0A 26 7,-2.4 7,-3.2 -2,-0.4 2,-0.5 -0.996 18.2-142.5-133.3 142.8 14.0 -8.2 -3.9 57 57 A E E +C 62 0A 100 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.919 26.0 168.6-102.7 127.7 12.2 -5.0 -5.0 58 58 A L E > -C 61 0A 37 3,-2.4 3,-1.9 -2,-0.5 2,-0.1 -0.989 57.6 -30.8-140.3 127.2 10.4 -3.1 -2.4 59 59 A G T 3 S- 0 0 55 -2,-0.4 -31,-0.0 1,-0.3 -2,-0.0 -0.477 125.4 -26.2 66.5-134.1 9.0 0.4 -2.7 60 60 A E T 3 S+ 0 0 139 -2,-0.1 21,-3.0 -3,-0.1 2,-0.3 0.016 123.4 84.1-100.5 22.8 11.2 2.4 -5.1 61 61 A F E < -CD 58 80A 27 -3,-1.9 -3,-2.4 19,-0.3 2,-0.4 -0.938 63.8-141.7-132.4 149.3 14.3 0.3 -4.4 62 62 A R E -CD 57 79A 91 17,-2.8 17,-2.4 -2,-0.3 2,-0.5 -0.909 18.9-159.3 -99.9 132.6 16.0 -2.8 -5.4 63 63 A F E -CD 56 78A 0 -7,-3.2 -7,-2.4 -2,-0.4 2,-0.4 -0.963 8.2-174.1-116.9 114.8 17.8 -4.7 -2.6 64 64 A R E -CD 55 77A 69 13,-2.4 13,-3.1 -2,-0.5 2,-0.6 -0.918 27.7-121.7-110.6 127.9 20.5 -7.2 -3.6 65 65 A V E + D 0 76A 0 -11,-3.0 -12,-3.3 -2,-0.4 11,-0.2 -0.580 35.1 168.9 -70.3 115.6 22.1 -9.4 -0.9 66 66 A L E + 0 0 26 9,-2.4 2,-0.3 -2,-0.6 10,-0.2 0.762 69.5 12.8 -91.7 -32.4 25.9 -8.8 -0.8 67 67 A N E + D 0 75A 75 8,-1.9 7,-3.1 -16,-0.1 8,-1.8 -0.980 63.2 152.4-151.3 125.7 26.6 -10.7 2.4 68 68 A A E - D 0 73A 29 -2,-0.3 5,-0.2 5,-0.3 -16,-0.2 -0.973 19.9-157.5-142.6 152.2 24.7 -13.1 4.5 69 69 A D - 0 0 68 3,-2.4 5,-0.0 -2,-0.3 -2,-0.0 -0.239 49.3 -71.5-108.0-157.3 25.8 -15.8 6.9 70 70 A S S S+ 0 0 101 1,-0.2 3,-0.1 -2,-0.1 -21,-0.1 0.575 129.5 27.3 -75.8 -9.9 24.0 -19.0 8.2 71 71 A R S S+ 0 0 195 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.640 121.8 8.8-118.1 -38.1 21.7 -16.9 10.5 72 72 A R - 0 0 148 -23,-0.1 -3,-2.4 -22,-0.0 2,-0.3 -0.958 66.0 -99.8-150.1 163.0 21.2 -13.4 9.0 73 73 A V E + D 0 68A 7 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.683 32.6 177.0 -79.2 143.6 21.6 -10.9 6.2 74 74 A H E + 0 0 56 -7,-3.1 -59,-2.6 1,-0.4 2,-0.4 0.751 58.9 19.7-114.0 -45.4 24.5 -8.5 6.8 75 75 A L E -BD 14 67A 61 -8,-1.8 -9,-2.4 -61,-0.2 -8,-1.9 -0.997 56.9-170.5-137.9 136.9 24.9 -6.2 3.8 76 76 A L E -BD 13 65A 0 -63,-2.3 -63,-2.9 -2,-0.4 2,-0.6 -0.922 20.2-136.4-119.8 143.7 22.5 -5.1 1.0 77 77 A R E -BD 12 64A 71 -13,-3.1 -13,-2.4 -2,-0.4 2,-0.5 -0.942 23.9-153.8 -95.6 122.6 23.2 -3.2 -2.1 78 78 A L E +BD 11 63A 1 -67,-3.0 -67,-1.8 -2,-0.6 -15,-0.2 -0.876 16.3 177.2-100.3 123.1 20.4 -0.6 -2.6 79 79 A S E - D 0 62A 20 -17,-2.4 -17,-2.8 -2,-0.5 2,-0.2 -0.980 31.0-118.1-120.9 138.2 19.7 0.6 -6.2 80 80 A P E D 0 61A 82 0, 0.0 -19,-0.3 0, 0.0 -70,-0.0 -0.523 360.0 360.0 -68.6 146.7 16.8 3.1 -7.0 81 81 A L 0 0 101 -21,-3.0 -20,-0.1 -2,-0.2 -21,-0.0 0.919 360.0 360.0 -72.0 360.0 14.1 1.6 -9.4