==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 10-MAY-96 2TSB . COMPND 2 MOLECULE: AZURIN AZIDE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR L.-C.TSAI,N.BONANDER,K.HARATA,B.G.KARLSSON,T.VANNGARD, . 512 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21345.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 62.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 19.5 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 . 4 0.8 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 . 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 . 39 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 3 0 0 0 1 2 0 1 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 1 4 3 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 . 8 4 0 8 0 0 4 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 4 0 4 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 A > 0 0 128 0, 0.0 3,-1.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0-177.4 34.2 -2.9 -2.3 2 2 A E T 3 - 0 0 140 1,-0.2 21,-0.5 27,-0.0 24,-0.1 -0.283 360.0 -15.8 52.6-111.6 37.9 -4.0 -2.9 3 3 A a T 3 S+ 0 0 35 -2,-0.2 27,-1.8 19,-0.1 2,-0.3 0.142 118.8 60.4-116.8 28.9 39.6 -1.8 -5.5 4 4 A S E < -a 30 0A 49 -3,-1.4 2,-0.3 25,-0.2 27,-0.2 -0.970 49.8-165.1-147.5 160.6 36.8 0.1 -7.2 5 5 A V E -a 31 0A 33 25,-2.4 27,-3.0 -2,-0.3 2,-0.4 -0.959 7.4-157.2-146.3 141.7 34.1 2.5 -6.5 6 6 A D E +a 32 0A 100 -2,-0.3 2,-0.3 25,-0.2 27,-0.2 -0.993 22.6 177.0-117.7 124.6 31.2 3.5 -8.7 7 7 A I E -a 33 0A 2 25,-3.1 27,-2.2 -2,-0.4 2,-0.4 -0.912 15.3-152.4-131.1 157.5 29.8 6.9 -7.8 8 8 A Q E -a 34 0A 86 -2,-0.3 8,-2.0 25,-0.2 2,-0.4 -0.994 2.8-159.5-132.3 140.6 27.0 9.0 -9.3 9 9 A G B -C 15 0B 0 25,-1.8 28,-0.3 -2,-0.4 6,-0.2 -0.915 23.3-160.3-115.8 138.1 26.5 12.7 -9.3 10 10 A N > - 0 0 24 4,-1.8 3,-1.4 -2,-0.4 25,-0.0 -0.487 33.5 -85.8-115.1-172.5 23.0 13.9 -9.9 11 11 A D T 3 S+ 0 0 18 1,-0.3 363,-0.1 -2,-0.2 34,-0.0 0.395 121.0 58.4 -77.6 1.6 21.0 16.9 -11.1 12 12 A Q T 3 S- 0 0 86 2,-0.2 -1,-0.3 361,-0.1 32,-0.0 0.060 117.7-108.2-110.0 13.1 20.8 18.4 -7.6 13 13 A M S < S+ 0 0 4 -3,-1.4 2,-0.4 1,-0.2 107,-0.1 0.732 75.8 127.7 69.8 26.0 24.6 18.5 -7.3 14 14 A Q - 0 0 15 107,-0.1 -4,-1.8 391,-0.0 2,-0.2 -0.909 53.2-135.2-118.3 146.5 25.1 15.7 -4.8 15 15 A F B -C 9 0B 2 105,-0.4 -6,-0.2 -2,-0.4 107,-0.1 -0.608 28.2-116.1 -90.6 156.1 27.3 12.7 -5.0 16 16 A N S S+ 0 0 58 -8,-2.0 2,-0.3 -2,-0.2 389,-0.2 0.587 95.8 23.5 -74.9 -2.7 25.8 9.4 -4.0 17 17 A T - 0 0 37 -9,-0.2 -2,-0.2 387,-0.1 105,-0.2 -0.931 50.7-160.3-152.2 166.7 28.4 9.2 -1.1 18 18 A N S S+ 0 0 20 -2,-0.3 106,-1.7 1,-0.3 2,-0.3 0.179 77.7 57.8-140.0 23.4 30.6 11.3 1.0 19 19 A A E -d 124 0C 59 104,-0.2 2,-0.4 384,-0.1 -1,-0.3 -0.941 54.1-178.3-155.2 124.4 33.1 8.8 2.3 20 20 A I E -d 125 0C 5 104,-2.9 106,-3.2 -2,-0.3 2,-0.5 -0.999 10.0-159.9-127.1 134.4 35.4 6.6 0.3 21 21 A T E -d 126 0C 95 -2,-0.4 2,-0.7 104,-0.2 106,-0.2 -0.963 4.9-158.5-119.2 113.1 37.8 4.1 2.0 22 22 A V E -d 127 0C 0 104,-2.6 106,-3.1 -2,-0.5 2,-0.2 -0.841 19.1-128.7 -97.3 114.8 40.8 2.9 -0.0 23 23 A D > - 0 0 60 -2,-0.7 3,-2.1 -21,-0.5 104,-0.1 -0.389 12.4-131.9 -64.2 130.4 42.2 -0.3 1.1 24 24 A K T 3 S+ 0 0 122 104,-0.3 -1,-0.2 1,-0.3 103,-0.1 0.573 101.9 60.9 -59.4 -9.2 45.9 -0.1 1.6 25 25 A S T 3 S+ 0 0 86 103,-0.2 2,-0.3 3,-0.0 -1,-0.3 0.454 74.9 104.1 -99.9 -1.5 46.5 -3.4 -0.4 26 26 A a < - 0 0 5 -3,-2.1 3,-0.1 1,-0.2 73,-0.1 -0.678 57.7-157.3 -75.1 134.3 45.0 -2.2 -3.7 27 27 A K S S+ 0 0 176 -2,-0.3 72,-1.4 1,-0.2 73,-0.4 0.793 82.2 9.3 -80.3 -36.1 47.9 -1.4 -6.1 28 28 A Q E S- B 0 98A 79 70,-0.2 2,-0.4 71,-0.1 70,-0.2 -0.900 73.3-145.9-135.0 166.7 45.7 0.8 -8.1 29 29 A F E - B 0 97A 3 68,-2.1 68,-2.7 -2,-0.3 2,-0.4 -0.993 8.7-152.8-144.1 129.0 42.2 2.2 -7.3 30 30 A T E -aB 4 96A 36 -27,-1.8 -25,-2.4 -2,-0.4 2,-0.6 -0.913 3.3-164.1-106.3 125.5 39.4 2.9 -9.9 31 31 A V E -aB 5 95A 0 64,-2.6 64,-1.4 -2,-0.4 2,-0.7 -0.933 6.6-161.4-114.2 114.6 36.7 5.4 -9.5 32 32 A N E -aB 6 94A 32 -27,-3.0 -25,-3.1 -2,-0.6 2,-0.5 -0.892 10.3-167.8 -98.7 111.2 33.8 5.0 -11.9 33 33 A L E +aB 7 93A 1 60,-2.6 60,-1.7 -2,-0.7 2,-0.3 -0.882 8.4 175.7-106.9 132.3 31.7 8.1 -12.2 34 34 A S E -aB 8 92A 27 -27,-2.2 -25,-1.8 -2,-0.5 58,-0.2 -0.878 23.2-140.9-130.0 158.6 28.3 8.4 -13.8 35 35 A H - 0 0 3 56,-1.9 55,-2.1 -2,-0.3 56,-0.2 -0.568 16.2-179.6-129.5 81.6 25.6 11.1 -14.3 36 36 A P + 0 0 64 0, 0.0 -1,-0.2 0, 0.0 -26,-0.1 0.766 51.3 79.6 -36.1 -61.2 22.0 9.9 -14.0 37 37 A G S S- 0 0 21 -28,-0.3 -2,-0.1 1,-0.1 -27,-0.0 0.735 84.0-103.9 -39.0-150.3 19.9 13.1 -14.5 38 38 A N S S+ 0 0 144 51,-0.1 -1,-0.1 2,-0.1 -28,-0.0 0.202 75.3 113.5-130.8 12.4 18.8 15.0 -17.6 39 39 A L - 0 0 13 5,-0.1 50,-3.2 -4,-0.1 2,-0.2 -0.690 61.6-118.7-102.5 144.3 21.1 18.0 -17.5 40 40 A P >> - 0 0 59 0, 0.0 3,-2.6 0, 0.0 4,-2.2 -0.492 27.3-111.4 -73.5 147.3 24.0 19.1 -19.9 41 41 A K H 3> S+ 0 0 67 1,-0.3 4,-1.5 2,-0.2 46,-0.1 0.694 113.7 58.2 -48.6 -38.1 27.6 19.4 -19.0 42 42 A N H 34 S+ 0 0 57 2,-0.2 -1,-0.3 1,-0.2 26,-0.1 0.656 118.6 30.4 -71.6 -15.3 27.7 23.1 -19.3 43 43 A V H <4 S+ 0 0 3 -3,-2.6 -2,-0.2 259,-0.1 -1,-0.2 0.709 143.5 5.9-109.5 -34.2 24.9 23.6 -16.8 44 44 A M H < S+ 0 0 0 -4,-2.2 -3,-0.2 2,-0.0 -2,-0.2 -0.210 80.9 151.9-149.2 44.8 25.4 20.7 -14.4 45 45 A G < - 0 0 0 -4,-1.5 2,-0.4 -5,-0.2 43,-0.2 -0.500 25.4-158.7 -78.3 145.6 28.5 18.8 -15.4 46 46 A H B -H 87 0D 1 41,-2.1 41,-1.6 -2,-0.1 2,-0.2 -0.971 11.7-176.7-114.2 155.1 30.5 16.9 -12.7 47 47 A N - 0 0 0 -2,-0.4 2,-0.6 39,-0.2 39,-0.1 -0.727 25.9-127.7-129.8 159.9 34.0 15.7 -12.4 48 48 A W + 0 0 0 37,-0.3 36,-2.1 -2,-0.2 2,-0.4 -0.964 31.7 178.4-109.0 120.9 35.6 13.7 -9.7 49 49 A V E -EF 83 111C 0 62,-2.1 62,-1.7 -2,-0.6 2,-0.4 -0.963 12.1-157.8-115.2 139.6 38.8 15.4 -8.3 50 50 A L E +EF 82 110C 0 32,-2.7 31,-1.5 -2,-0.4 32,-1.0 -0.938 26.5 143.6-120.0 132.3 41.0 14.0 -5.4 51 51 A S E - F 0 109C 0 58,-1.9 58,-2.6 -2,-0.4 29,-0.1 -0.980 54.3 -80.0-157.7 165.2 43.3 16.2 -3.4 52 52 A T E >> - F 0 108C 21 27,-0.5 4,-1.6 -2,-0.3 3,-0.6 -0.409 47.1-111.6 -67.1 156.9 44.5 16.6 0.2 53 53 A A T 34 S+ 0 0 13 54,-2.7 4,-0.3 1,-0.3 -1,-0.1 0.786 119.2 59.6 -63.0 -14.7 42.1 18.4 2.5 54 54 A A T 34 S+ 0 0 29 53,-0.4 3,-0.3 1,-0.2 132,-0.3 0.868 107.2 39.1 -76.7 -44.1 44.6 21.1 2.4 55 55 A D T X> S+ 0 0 51 -3,-0.6 4,-2.5 1,-0.2 3,-1.1 0.615 87.5 97.3 -84.4 -19.0 44.7 21.8 -1.3 56 56 A M H 3X S+ 0 0 14 -4,-1.6 4,-2.3 1,-0.3 5,-0.2 0.846 83.0 47.1 -43.1 -49.1 41.0 21.5 -2.0 57 57 A Q H 3> S+ 0 0 25 -4,-0.3 4,-1.5 -3,-0.3 -1,-0.3 0.779 113.8 47.0 -73.0 -22.4 40.2 25.2 -1.9 58 58 A G H <> S+ 0 0 4 -3,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.843 113.2 48.1 -83.3 -39.3 43.0 26.2 -4.1 59 59 A V H X S+ 0 0 0 -4,-2.5 4,-1.3 2,-0.2 15,-0.3 0.853 112.7 51.1 -64.6 -36.2 42.3 23.5 -6.6 60 60 A V H X S+ 0 0 20 -4,-2.3 4,-1.1 -5,-0.3 -2,-0.2 0.872 113.3 43.4 -69.3 -34.8 38.6 24.6 -6.5 61 61 A T H < S+ 0 0 34 -4,-1.5 4,-0.4 1,-0.2 -2,-0.2 0.845 116.3 45.9 -78.4 -35.0 39.4 28.3 -7.1 62 62 A D H X S+ 0 0 40 -4,-1.8 4,-0.8 1,-0.2 3,-0.2 0.763 105.7 64.6 -78.7 -29.6 42.0 27.7 -9.8 63 63 A G H >< S+ 0 0 0 -4,-1.3 3,-1.3 -5,-0.2 4,-0.5 0.958 101.3 45.1 -60.1 -51.3 39.6 25.2 -11.5 64 64 A M T 3< S+ 0 0 42 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.583 107.3 60.8 -72.6 -8.9 36.8 27.7 -12.3 65 65 A A T 34 S+ 0 0 81 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.2 0.725 98.5 60.0 -82.9 -27.0 39.4 30.1 -13.6 66 66 A S S << S- 0 0 25 -3,-1.3 4,-0.3 -4,-0.8 -2,-0.2 0.624 99.7-144.4 -77.7 -19.9 40.4 27.3 -16.1 67 67 A G > > - 0 0 21 -4,-0.5 3,-2.2 1,-0.2 5,-1.8 0.308 30.4 -60.8 76.1 165.6 36.9 27.2 -17.9 68 68 A L G > 5S+ 0 0 52 1,-0.3 3,-1.0 3,-0.2 -1,-0.2 0.652 126.1 61.7 -55.9 -29.7 34.8 24.5 -19.4 69 69 A D G 3 5S+ 0 0 136 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.717 107.1 46.7 -75.1 -15.1 37.3 23.5 -22.0 70 70 A K G X 5S- 0 0 92 -3,-2.2 3,-0.9 -4,-0.3 -1,-0.2 0.190 117.3-110.3-107.5 11.2 39.7 22.5 -19.3 71 71 A D T < 5 - 0 0 43 -3,-1.0 42,-0.2 1,-0.2 -3,-0.2 0.714 64.3 -75.8 65.2 21.7 37.1 20.5 -17.2 72 72 A Y T 3 - 0 0 81 -2,-0.4 3,-1.2 -15,-0.3 2,-0.2 -0.476 45.2-101.8 -61.8 143.1 43.8 23.9 -14.1 75 75 A P T 3 S+ 0 0 65 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.568 99.7 6.4 -76.8 146.0 46.0 21.8 -16.3 76 76 A D T 3 S- 0 0 163 1,-0.2 2,-0.1 -2,-0.2 -2,-0.0 0.797 81.8-175.5 61.6 32.3 48.8 19.9 -14.7 77 77 A D X - 0 0 14 -3,-1.2 3,-0.7 1,-0.2 -1,-0.2 -0.450 16.0-155.6 -63.1 120.5 47.5 21.0 -11.2 78 78 A S T 3 S+ 0 0 115 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.633 90.5 62.2 -73.7 -15.4 50.3 19.5 -8.9 79 79 A R T 3 S+ 0 0 49 -24,-0.1 2,-0.7 1,-0.1 -27,-0.5 0.473 83.5 92.7 -93.0 0.6 47.7 19.5 -6.1 80 80 A V < - 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