==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 14-DEC-01 1GR7 . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.OKVIST,N.BONANDER,A.SANDBERG,B.G.KARLSSON,U.KRENGEL,Y.XUE, . 506 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20852.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 328 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 20.2 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 . 30 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 10.5 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 4 0 0 0 0 2 0 0 2 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 4 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 PARALLEL BRIDGES PER LADDER . 9 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 2 A E 0 0 58 0, 0.0 21,-2.2 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0-176.8 11.7 25.0 15.5 2 3 A S + 0 0 61 1,-0.3 27,-1.7 19,-0.2 2,-0.3 0.477 360.0 14.9 -89.8 -24.9 8.5 24.4 13.3 3 4 A S E -a 29 0A 68 25,-0.2 2,-0.3 92,-0.0 -1,-0.3 -0.982 65.2-163.0-146.6 156.6 6.0 26.1 15.6 4 5 A V E -a 30 0A 35 25,-2.1 27,-2.9 -2,-0.3 2,-0.6 -0.998 14.8-140.3-143.1 141.7 6.3 28.5 18.6 5 6 A D E -a 31 0A 98 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.928 25.3-174.7 -99.9 121.7 3.9 29.5 21.3 6 7 A I E -a 32 0A 0 25,-3.2 27,-2.2 -2,-0.6 2,-0.4 -0.961 7.9-161.1-120.3 137.0 4.2 33.2 22.1 7 8 A Q E -a 33 0A 78 -2,-0.4 8,-1.4 25,-0.2 2,-0.5 -0.912 3.0-162.4-116.6 139.4 2.3 35.1 24.9 8 9 A G B -C 14 0B 0 25,-2.4 6,-0.2 -2,-0.4 37,-0.1 -0.991 22.9-167.7-120.0 127.1 1.8 38.8 25.1 9 10 A N > - 0 0 39 4,-2.0 3,-1.2 -2,-0.5 4,-0.2 -0.287 38.5 -92.8-114.4-174.2 0.8 40.0 28.6 10 11 A D T 3 S+ 0 0 21 1,-0.3 359,-0.1 2,-0.1 26,-0.1 0.516 115.8 69.2 -76.2 -4.9 -0.5 43.0 30.5 11 12 A Q T 3 S- 0 0 60 2,-0.2 -1,-0.3 357,-0.1 3,-0.1 0.239 114.2-112.7 -94.5 16.8 3.1 44.1 31.2 12 13 A M S < S+ 0 0 1 -3,-1.2 2,-0.3 1,-0.2 -2,-0.1 0.904 79.3 109.1 58.1 41.8 3.6 45.0 27.5 13 14 A Q - 0 0 4 -4,-0.2 -4,-2.0 107,-0.1 -2,-0.2 -0.998 63.8-130.2-141.5 153.1 6.1 42.3 26.7 14 15 A F B -C 8 0B 1 -2,-0.3 -6,-0.2 105,-0.3 385,-0.1 -0.517 34.1-114.4 -83.3 167.5 6.1 39.1 24.8 15 16 A N S S+ 0 0 38 -8,-1.4 384,-2.7 -2,-0.2 385,-0.6 0.831 96.5 33.7 -74.3 -24.7 7.6 36.0 26.6 16 17 A T B -D 398 0C 22 382,-0.3 382,-0.3 -9,-0.2 -2,-0.1 -0.917 53.5-161.3-130.5 155.2 10.6 35.8 24.3 17 18 A N S S+ 0 0 5 380,-2.9 106,-2.2 -2,-0.3 2,-0.3 0.212 80.2 50.2-113.5 7.6 12.8 38.2 22.3 18 19 A A E -e 123 0D 40 379,-0.6 2,-0.4 104,-0.2 106,-0.2 -0.962 54.6-177.2-151.1 135.1 14.2 35.6 19.9 19 20 A I E -e 124 0D 7 104,-2.1 106,-2.0 -2,-0.3 2,-0.4 -0.989 11.6-156.1-129.3 136.1 12.7 33.0 17.6 20 21 A T E -e 125 0D 67 -2,-0.4 2,-0.5 104,-0.2 106,-0.2 -0.950 7.9-156.0-115.6 128.6 14.7 30.5 15.5 21 22 A V E -e 126 0D 0 104,-3.0 106,-2.8 -2,-0.4 2,-0.6 -0.909 18.9-124.3-106.1 131.6 13.0 29.0 12.4 22 23 A D > - 0 0 58 -21,-2.2 3,-1.6 -2,-0.5 76,-0.1 -0.666 12.6-149.0 -74.9 115.9 14.3 25.7 11.0 23 24 A K T 3 S+ 0 0 100 -2,-0.6 -1,-0.1 1,-0.2 103,-0.0 0.628 93.2 65.5 -54.9 -22.0 15.2 26.1 7.3 24 25 A S T 3 S+ 0 0 96 74,-0.0 -1,-0.2 2,-0.0 2,-0.1 0.713 84.0 93.0 -80.7 -16.2 14.3 22.5 6.6 25 26 A X < - 0 0 52 -3,-1.6 3,-0.1 -24,-0.1 73,-0.1 -0.438 66.5-149.2 -75.1 148.7 10.6 23.2 7.4 26 27 A K S S+ 0 0 183 1,-0.2 72,-2.1 -2,-0.1 2,-0.3 0.820 82.1 17.5 -81.1 -36.1 8.2 24.1 4.6 27 28 A Q E - B 0 97A 108 70,-0.3 2,-0.4 71,-0.1 70,-0.2 -0.931 63.8-150.4-136.6 160.0 6.0 26.2 7.0 28 29 A F E - B 0 96A 2 68,-2.1 68,-2.6 -2,-0.3 2,-0.4 -0.993 11.9-154.4-134.3 136.7 6.3 27.9 10.4 29 30 A T E -aB 3 95A 34 -27,-1.7 -25,-2.1 -2,-0.4 2,-0.5 -0.947 4.0-163.5-120.0 130.2 3.4 28.5 12.8 30 31 A V E -aB 4 94A 0 64,-2.8 64,-2.1 -2,-0.4 2,-0.6 -0.952 5.2-163.4-109.9 121.1 3.2 31.1 15.5 31 32 A N E -aB 5 93A 57 -27,-2.9 -25,-3.2 -2,-0.5 2,-0.4 -0.938 11.6-166.8-104.5 119.5 0.5 30.6 18.1 32 33 A L E +aB 6 92A 3 60,-2.8 60,-2.3 -2,-0.6 2,-0.3 -0.868 10.5 172.7-109.6 131.5 -0.2 33.9 20.0 33 34 A S E -aB 7 91A 30 -27,-2.2 -25,-2.4 -2,-0.4 58,-0.2 -0.869 24.2-139.8-128.2 167.5 -2.1 34.1 23.3 34 35 A H - 0 0 3 56,-1.3 55,-2.6 -2,-0.3 56,-0.3 -0.771 16.9-172.1-131.7 88.9 -2.8 37.0 25.7 35 36 A P + 0 0 61 0, 0.0 2,-0.2 0, 0.0 3,-0.2 -0.298 52.3 57.6 -65.5 165.1 -2.7 36.1 29.4 36 37 A G S S- 0 0 38 -27,-0.1 -2,-0.1 1,-0.1 53,-0.1 -0.699 88.5 -88.4 108.8-167.0 -3.8 38.9 31.7 37 38 A N S S+ 0 0 143 -2,-0.2 -1,-0.1 51,-0.1 -28,-0.0 0.450 77.9 106.1-129.6 -9.0 -7.0 40.9 32.0 38 39 A L - 0 0 21 -3,-0.2 50,-2.8 5,-0.1 2,-0.1 -0.592 63.5-125.0 -86.9 142.4 -6.8 44.0 29.8 39 40 A P >> - 0 0 64 0, 0.0 4,-2.4 0, 0.0 3,-1.6 -0.340 28.7 -98.8 -78.4 170.0 -8.9 44.1 26.6 40 41 A K H 3> S+ 0 0 82 1,-0.3 4,-0.9 2,-0.2 46,-0.1 0.694 116.2 62.4 -64.2 -23.3 -7.6 44.7 23.1 41 42 A N H 34 S+ 0 0 73 2,-0.2 -1,-0.3 1,-0.2 26,-0.1 0.632 119.2 26.9 -80.3 -7.2 -8.5 48.4 22.9 42 43 A V H <4 S+ 0 0 12 -3,-1.6 -2,-0.2 255,-0.0 -1,-0.2 0.680 141.8 12.9-118.2 -39.8 -6.1 49.1 25.8 43 44 A M H < S+ 0 0 0 -4,-2.4 -2,-0.2 2,-0.0 -3,-0.2 -0.304 83.4 162.8-142.0 49.1 -3.4 46.4 25.8 44 45 A G < - 0 0 0 -4,-0.9 2,-0.4 43,-0.1 69,-0.2 -0.390 16.1-166.0 -71.2 141.8 -3.9 44.8 22.4 45 46 A H B +I 86 0E 0 41,-2.1 41,-2.8 -2,-0.1 2,-0.3 -0.998 13.2 172.6-132.6 140.0 -1.1 42.7 20.9 46 47 A N - 0 0 0 -2,-0.4 2,-0.5 39,-0.2 39,-0.1 -0.810 30.1-127.3-125.3 169.6 -0.5 41.3 17.5 47 48 A W + 0 0 0 -2,-0.3 36,-1.8 37,-0.2 2,-0.4 -0.995 32.7 178.7-120.9 122.1 2.6 39.5 16.2 48 49 A V E -FG 82 110D 0 62,-1.8 62,-2.1 -2,-0.5 2,-0.4 -0.982 11.9-157.8-132.2 134.4 4.0 41.1 13.0 49 50 A L E +FG 81 109D 0 32,-2.5 31,-2.6 -2,-0.4 32,-0.9 -0.955 25.2 141.4-120.3 132.4 7.0 40.1 11.0 50 51 A S E - G 0 108D 0 58,-2.0 58,-2.6 -2,-0.4 29,-0.1 -0.931 57.5 -78.9-150.3 169.4 9.1 42.2 8.7 51 52 A T E >> - G 0 107D 21 27,-0.4 4,-0.9 -2,-0.3 3,-0.7 -0.463 47.5-112.0 -66.3 157.4 12.7 42.6 7.8 52 53 A A H >> S+ 0 0 9 54,-2.3 3,-0.9 1,-0.2 4,-0.5 0.912 118.3 58.2 -55.1 -41.7 14.5 44.7 10.4 53 54 A A H 34 S+ 0 0 41 53,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.820 109.9 43.4 -58.3 -32.6 15.0 47.5 7.7 54 55 A D H <> S+ 0 0 52 -3,-0.7 4,-2.0 1,-0.2 -1,-0.2 0.592 86.6 91.7 -92.9 -11.1 11.2 47.7 7.3 55 56 A M H S+ 0 0 13 -4,-0.3 4,-2.2 2,-0.2 5,-0.2 0.867 112.2 49.7 -62.0 -41.0 7.8 52.0 8.4 58 59 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 15,-0.3 0.925 114.1 45.9 -63.9 -42.5 5.4 49.2 9.3 59 60 A V H X S+ 0 0 15 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.940 113.1 48.7 -67.5 -45.1 5.0 50.5 12.9 60 61 A T H X S+ 0 0 43 -4,-2.7 4,-1.0 -5,-0.2 -2,-0.2 0.954 117.2 40.5 -62.1 -49.7 4.6 54.1 11.8 61 62 A D H < S+ 0 0 59 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.854 113.4 54.5 -69.2 -35.8 2.0 53.3 9.2 62 63 A G H >X S+ 0 0 0 -4,-2.5 3,-1.5 -5,-0.2 4,-0.6 0.894 101.8 57.5 -64.1 -40.2 0.2 50.8 11.4 63 64 A M H >< S+ 0 0 43 -4,-2.3 3,-0.6 1,-0.3 -1,-0.2 0.854 106.9 50.7 -55.4 -38.4 -0.2 53.3 14.3 64 65 A A T 3< S+ 0 0 87 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.522 97.6 69.1 -79.5 -9.7 -2.1 55.5 11.9 65 66 A S T <4 S- 0 0 28 -3,-1.5 4,-0.3 -4,-0.3 -1,-0.2 0.690 93.2-141.0 -87.0 -19.4 -4.4 52.8 10.7 66 67 A G X<> - 0 0 23 -4,-0.6 5,-2.4 -3,-0.6 3,-1.0 0.064 29.4 -60.4 87.1 168.7 -6.4 52.4 14.0 67 68 A L G > 5S+ 0 0 60 1,-0.2 3,-1.8 3,-0.2 18,-0.2 0.837 124.6 59.3 -59.4 -40.2 -8.0 49.6 16.0 68 69 A D G 3 5S+ 0 0 137 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.716 106.9 47.9 -69.8 -19.4 -10.3 48.3 13.4 69 70 A K G X 5S- 0 0 91 -3,-1.0 3,-1.4 -4,-0.3 -1,-0.3 0.147 117.9-112.1 -99.9 17.3 -7.4 47.6 11.0 70 71 A D T < 5 - 0 0 47 -3,-1.8 -3,-0.2 1,-0.3 42,-0.2 0.806 65.5 -69.3 59.4 30.4 -5.5 45.8 13.8 71 72 A Y T 3 - 0 0 92 -2,-0.4 3,-1.3 -15,-0.3 -11,-0.1 -0.482 48.5-108.5 -60.7 124.3 -1.7 49.3 7.0 74 75 A P T 3 S+ 0 0 63 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.342 98.3 6.9 -58.5 135.6 -4.0 47.1 4.8 75 76 A D T 3 S+ 0 0 165 1,-0.2 2,-0.6 2,-0.1 -2,-0.1 0.842 83.1 178.8 63.2 33.6 -2.1 45.2 2.1 76 77 A D X - 0 0 12 -3,-1.3 3,-1.5 1,-0.2 -1,-0.2 -0.563 19.1-155.9 -70.0 118.2 1.3 46.4 3.5 77 78 A S T 3 S+ 0 0 122 -2,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.660 88.4 64.0 -74.7 -12.5 3.8 44.6 1.2 78 79 A R T 3 S+ 0 0 55 -24,-0.1 2,-0.7 -28,-0.1 -27,-0.4 0.631 81.4 92.7 -80.5 -14.8 6.5 44.9 3.9 79 80 A V < - 0 0 24 -3,-1.5 -29,-0.2 1,-0.2 3,-0.1 -0.736 51.8-175.3 -86.7 117.9 4.6 42.6 6.3 80 81 A I - 0 0 35 -31,-2.6 2,-0.3 -2,-0.7 -1,-0.2 0.858 69.7 -19.1 -77.8 -40.3 5.7 39.0 5.8 81 82 A A E +F 49 0D 10 -32,-0.9 -32,-2.5 15,-0.1 -1,-0.3 -0.953 65.1 174.9-162.3 155.0 3.1 37.6 8.2 82 83 A H E -F 48 0D 83 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.2 -0.984 20.9-137.4-159.7 155.8 0.9 38.8 11.0 83 84 A T - 0 0 1 -36,-1.8 2,-0.1 -2,-0.3 11,-0.1 -0.466 41.0 -93.1 -94.6-178.2 -1.8 37.7 13.4 84 85 A K - 0 0 84 -2,-0.2 2,-0.4 -38,-0.1 -37,-0.2 -0.450 49.1 -87.4 -83.1 170.5 -4.8 39.8 14.3 85 86 A L - 0 0 2 -18,-0.2 2,-0.3 -39,-0.1 -39,-0.2 -0.713 53.2-173.1 -77.8 124.2 -4.8 42.1 17.3 86 87 A I B -I 45 0E 0 -41,-2.8 -41,-2.1 -2,-0.4 2,-0.2 -0.869 13.7-156.1-122.0 157.0 -6.0 40.3 20.4 87 88 A G > - 0 0 2 -2,-0.3 3,-2.2 1,-0.2 -53,-0.2 -0.568 52.4 -41.2-117.8-173.1 -6.8 41.2 24.0 88 89 A S T 3 S+ 0 0 35 -50,-2.8 -1,-0.2 1,-0.2 -48,-0.1 -0.166 126.2 15.0 -56.2 141.0 -6.8 39.2 27.2 89 90 A G T 3 S+ 0 0 75 -55,-2.6 -1,-0.2 1,-0.3 2,-0.1 0.258 103.0 113.3 84.2 -8.0 -8.2 35.6 27.0 90 91 A E < - 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