==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 14-NOV-12 4HZ1 . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.P.MCLAUGHLIN,M.RETEGAN,E.BILL,T.M.PAYNE,H.S.SHAFAAT,S.PEA, . 509 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21493.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 19.6 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 . 36 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 9.8 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 2 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 1 3 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 . 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 2 A E 0 0 163 0, 0.0 21,-0.6 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 -22.7 15.1 28.4 -14.3 2 3 A a + 0 0 40 19,-0.1 27,-2.1 22,-0.1 2,-0.3 0.063 360.0 52.7-102.7 25.1 17.1 26.3 -16.8 3 4 A S E -a 29 0A 61 25,-0.2 2,-0.3 92,-0.0 27,-0.2 -0.948 60.1-160.5-151.1 163.6 18.8 24.3 -14.1 4 5 A V E -a 30 0A 39 25,-1.2 27,-2.7 -2,-0.3 2,-0.6 -0.980 14.2-140.6-151.2 138.4 18.1 22.3 -10.9 5 6 A D E -a 31 0A 110 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.930 24.6-172.8-103.4 119.2 20.3 21.3 -7.9 6 7 A I E -a 32 0A 0 25,-2.3 27,-2.2 -2,-0.6 2,-0.3 -0.965 8.2-159.1-118.6 133.0 19.6 17.7 -6.8 7 8 A Q E -a 33 0A 91 -2,-0.4 8,-1.6 25,-0.2 2,-0.4 -0.821 1.9-163.7-109.1 145.0 21.0 16.0 -3.6 8 9 A G B -C 14 0B 0 25,-1.1 6,-0.2 -2,-0.3 37,-0.1 -0.986 18.6-156.9-128.6 119.6 21.3 12.3 -3.1 9 10 A N > - 0 0 18 4,-2.1 3,-1.1 -2,-0.4 4,-0.1 -0.166 33.3 -96.0 -91.4-177.1 21.9 11.2 0.5 10 11 A D T 3 S+ 0 0 16 1,-0.2 26,-0.1 2,-0.1 -1,-0.1 0.575 119.6 62.9 -72.8 -11.3 23.3 8.2 2.4 11 12 A Q T 3 S- 0 0 99 2,-0.2 -1,-0.2 359,-0.0 25,-0.0 0.083 119.1-105.5-102.6 20.7 19.7 6.8 2.8 12 13 A M S < S+ 0 0 2 -3,-1.1 2,-0.4 1,-0.2 -2,-0.1 0.877 76.0 133.9 56.5 46.3 19.2 6.4 -1.0 13 14 A Q - 0 0 28 -4,-0.1 -4,-2.1 107,-0.1 2,-0.2 -0.992 47.2-147.6-129.4 131.7 16.9 9.4 -1.4 14 15 A F B -C 8 0B 17 -2,-0.4 -6,-0.2 105,-0.4 107,-0.1 -0.605 24.5-126.4 -85.3 154.0 16.9 12.2 -4.0 15 16 A N S S+ 0 0 69 -8,-1.6 2,-0.3 -2,-0.2 -7,-0.1 0.172 90.3 40.0 -91.7 19.8 15.7 15.6 -2.7 16 17 A T - 0 0 40 -9,-0.2 -2,-0.1 385,-0.1 3,-0.1 -0.965 49.0-174.4-159.0 148.1 13.1 16.0 -5.5 17 18 A N S S+ 0 0 27 -2,-0.3 106,-2.5 1,-0.2 2,-0.3 0.321 76.7 51.8-125.5 2.3 10.7 13.7 -7.3 18 19 A A E -d 123 0C 54 104,-0.2 2,-0.5 382,-0.1 -1,-0.2 -0.957 59.4-171.1-146.3 119.7 9.4 16.1 -10.0 19 20 A I E -d 124 0C 7 104,-2.4 106,-2.3 -2,-0.3 2,-0.6 -0.963 6.3-161.3-115.0 124.3 11.4 18.2 -12.4 20 21 A T E -d 125 0C 79 -2,-0.5 2,-0.6 104,-0.2 106,-0.2 -0.913 4.4-159.5-106.2 119.2 9.7 20.9 -14.5 21 22 A V E -d 126 0C 0 104,-2.8 106,-1.7 -2,-0.6 -19,-0.1 -0.915 23.7-124.9 -99.1 118.6 11.7 22.0 -17.6 22 23 A D > - 0 0 62 -21,-0.6 3,-1.3 -2,-0.6 104,-0.0 -0.361 13.6-123.6 -66.0 143.3 10.5 25.4 -18.8 23 24 A K T 3 S+ 0 0 137 1,-0.2 -1,-0.1 -2,-0.1 80,-0.0 0.829 106.7 53.8 -55.7 -40.5 9.4 25.7 -22.5 24 25 A S T 3 S+ 0 0 93 2,-0.0 -1,-0.2 0, 0.0 2,-0.2 0.521 81.3 113.1 -77.7 -5.7 11.8 28.6 -23.4 25 26 A a < - 0 0 7 -3,-1.3 3,-0.1 1,-0.2 -4,-0.0 -0.492 42.1-175.6 -72.0 130.7 14.9 26.8 -22.1 26 27 A K S S+ 0 0 160 1,-0.3 72,-2.3 -2,-0.2 73,-0.4 0.783 77.2 27.6 -90.5 -39.1 17.3 25.9 -24.9 27 28 A Q E - B 0 97A 80 70,-0.2 2,-0.4 71,-0.1 -1,-0.3 -0.913 69.6-156.1-124.2 146.5 19.6 24.0 -22.5 28 29 A F E - B 0 96A 2 68,-2.4 68,-2.1 -2,-0.3 2,-0.3 -0.991 10.5-164.3-128.6 127.3 18.9 22.2 -19.2 29 30 A T E -aB 3 95A 32 -27,-2.1 -25,-1.2 -2,-0.4 2,-0.4 -0.821 7.6-163.4-113.1 142.7 21.5 21.6 -16.5 30 31 A V E -aB 4 94A 0 64,-2.1 64,-1.5 -2,-0.3 2,-0.7 -0.996 4.5-162.2-126.0 120.7 21.4 19.2 -13.5 31 32 A N E -aB 5 93A 44 -27,-2.7 -25,-2.3 -2,-0.4 2,-0.4 -0.912 13.2-166.0-106.5 105.3 23.9 19.8 -10.7 32 33 A L E +aB 6 92A 2 60,-2.8 60,-2.2 -2,-0.7 2,-0.3 -0.800 11.4 171.8 -97.9 129.7 24.1 16.6 -8.6 33 34 A S E -aB 7 91A 26 -27,-2.2 -25,-1.1 -2,-0.4 58,-0.2 -0.769 22.1-142.2-123.5 174.0 25.8 16.6 -5.1 34 35 A H - 0 0 4 56,-0.6 55,-2.2 -2,-0.3 56,-0.2 -0.718 11.9-165.0-145.2 88.0 26.0 13.9 -2.4 35 36 A P + 0 0 55 0, 0.0 2,-0.3 0, 0.0 3,-0.2 -0.334 52.0 53.2 -70.5 155.9 25.8 14.8 1.3 36 37 A G S S- 0 0 37 -27,-0.1 -2,-0.1 1,-0.1 -27,-0.0 -0.756 87.5 -84.4 120.7-163.5 26.8 12.2 3.9 37 38 A N S S+ 0 0 149 -2,-0.3 -1,-0.1 2,-0.1 50,-0.0 0.371 76.1 115.1-130.9 4.8 29.9 10.0 4.5 38 39 A L - 0 0 14 -3,-0.2 50,-2.1 1,-0.1 0, 0.0 -0.570 59.2-120.8 -87.7 139.1 29.5 6.8 2.3 39 40 A P >> - 0 0 63 0, 0.0 4,-2.2 0, 0.0 3,-0.8 -0.097 26.6-107.3 -67.5 170.4 31.9 5.8 -0.6 40 41 A K H 3> S+ 0 0 81 1,-0.2 4,-0.9 2,-0.2 46,-0.1 0.710 111.1 65.6 -75.1 -18.8 30.8 5.3 -4.2 41 42 A N H 34 S+ 0 0 39 2,-0.2 -1,-0.2 1,-0.1 26,-0.0 0.687 119.7 22.8 -75.4 -19.0 31.1 1.5 -4.3 42 43 A V H <4 S+ 0 0 1 -3,-0.8 -2,-0.2 257,-0.1 -1,-0.1 0.670 141.2 20.8-115.0 -28.9 28.3 1.2 -1.8 43 44 A M H < S+ 0 0 0 -4,-2.2 2,-0.5 2,-0.1 -2,-0.2 -0.241 76.2 153.1-140.3 47.5 26.3 4.5 -2.2 44 45 A G < - 0 0 0 -4,-0.9 2,-0.3 43,-0.1 43,-0.2 -0.683 24.7-161.4 -84.3 125.1 27.2 5.9 -5.6 45 46 A H B +H 86 0D 0 41,-2.4 41,-2.8 -2,-0.5 2,-0.3 -0.830 14.2 172.1-110.9 143.8 24.6 8.1 -7.1 46 47 A N - 0 0 0 -2,-0.3 2,-0.5 39,-0.2 67,-0.1 -0.904 29.4-128.4-138.2 162.1 24.0 9.2 -10.7 47 48 A W - 0 0 0 -2,-0.3 36,-1.5 37,-0.2 2,-0.4 -0.965 31.6-179.4-117.4 111.1 21.2 11.1 -12.4 48 49 A V E -EF 82 110C 0 62,-2.8 62,-1.8 -2,-0.5 2,-0.4 -0.928 10.3-157.8-116.5 138.7 19.9 9.2 -15.5 49 50 A L E +EF 81 109C 0 32,-2.3 31,-2.2 -2,-0.4 32,-0.7 -0.942 27.1 132.8-120.1 135.1 17.2 10.4 -17.9 50 51 A S E - F 0 108C 0 58,-1.8 58,-2.7 -2,-0.4 29,-0.1 -0.933 56.8 -72.9-161.2 174.1 15.1 8.3 -20.3 51 52 A T E > - F 0 107C 27 27,-0.4 4,-1.3 -2,-0.3 56,-0.2 -0.316 47.9-109.9 -72.1 161.7 11.4 7.7 -21.4 52 53 A A T 4 S+ 0 0 18 54,-1.9 4,-0.4 1,-0.2 3,-0.3 0.903 120.4 50.8 -60.0 -38.8 9.1 5.9 -18.9 53 54 A A T 4 S+ 0 0 44 53,-0.3 4,-0.3 1,-0.2 132,-0.2 0.787 111.8 47.4 -70.3 -29.9 9.0 2.9 -21.2 54 55 A D T > S+ 0 0 48 -3,-0.2 4,-1.8 1,-0.2 3,-0.3 0.646 85.1 91.3 -87.3 -19.0 12.8 2.7 -21.5 55 56 A M H X S+ 0 0 13 -4,-1.3 4,-2.2 -3,-0.3 -1,-0.2 0.861 85.3 49.4 -43.2 -55.1 13.7 3.1 -17.7 56 57 A Q H > S+ 0 0 10 -4,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.877 109.4 49.8 -56.7 -47.4 13.8 -0.6 -16.9 57 58 A G H > S+ 0 0 6 -4,-0.3 4,-2.5 -3,-0.3 5,-0.2 0.877 112.5 48.7 -60.8 -37.7 16.0 -1.7 -19.8 58 59 A V H X S+ 0 0 0 -4,-1.8 4,-1.2 2,-0.2 15,-0.3 0.877 112.2 49.1 -68.7 -39.4 18.5 1.1 -18.9 59 60 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.914 115.3 43.5 -67.1 -43.4 18.4 -0.1 -15.2 60 61 A T H X S+ 0 0 28 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.945 118.2 41.8 -69.0 -50.1 19.0 -3.8 -16.1 61 62 A D H < S+ 0 0 37 -4,-2.5 -1,-0.2 1,-0.2 4,-0.2 0.738 114.1 58.0 -69.9 -19.7 21.7 -3.2 -18.7 62 63 A G H >< S+ 0 0 0 -4,-1.2 3,-1.2 -5,-0.2 4,-0.4 0.919 103.6 47.2 -75.5 -46.6 23.1 -0.6 -16.3 63 64 A M H >< S+ 0 0 19 -4,-2.0 3,-0.9 1,-0.3 -2,-0.2 0.874 110.0 55.2 -63.5 -36.8 23.6 -2.9 -13.4 64 65 A A T 3< S+ 0 0 85 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.530 97.1 67.8 -74.1 -8.3 25.3 -5.5 -15.6 65 66 A S T < S- 0 0 28 -3,-1.2 -1,-0.2 -4,-0.2 4,-0.2 0.631 96.7-135.9 -87.8 -20.1 27.8 -2.9 -16.8 66 67 A G X > - 0 0 20 -3,-0.9 5,-2.1 -4,-0.4 3,-0.9 0.017 28.8 -65.5 87.3 167.7 29.7 -2.4 -13.5 67 68 A L G > 5S+ 0 0 59 1,-0.2 3,-1.6 3,-0.2 18,-0.2 0.809 124.4 62.4 -61.7 -35.2 31.1 0.5 -11.4 68 69 A D G 3 5S+ 0 0 126 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.704 104.1 47.9 -67.1 -23.2 33.7 1.5 -14.1 69 70 A K G X 5S- 0 0 106 -3,-0.9 3,-1.5 -4,-0.2 -1,-0.3 0.030 120.6-109.3-104.1 22.8 30.9 2.3 -16.6 70 71 A D T < 5 - 0 0 39 -3,-1.6 42,-0.2 1,-0.3 -3,-0.2 0.732 66.9 -68.5 53.6 29.8 29.0 4.3 -13.9 71 72 A Y T 3 - 0 0 82 -2,-0.3 3,-1.5 -15,-0.3 -11,-0.1 -0.606 44.2-110.0 -72.8 125.2 25.7 0.6 -20.7 74 75 A P T 3 S+ 0 0 68 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.368 98.8 8.5 -60.2 137.0 28.1 2.6 -22.9 75 76 A D T 3 S+ 0 0 163 1,-0.2 2,-0.6 2,-0.0 -2,-0.0 0.700 82.6 176.1 63.9 25.6 26.4 4.3 -25.9 76 77 A D X - 0 0 14 -3,-1.5 3,-1.3 1,-0.2 -1,-0.2 -0.502 20.2-157.2 -64.4 109.5 22.9 3.4 -24.6 77 78 A S T 3 S+ 0 0 121 -2,-0.6 -1,-0.2 1,-0.2 -2,-0.0 0.589 87.6 63.5 -66.3 -12.6 20.6 5.1 -27.1 78 79 A R T 3 S+ 0 0 63 -24,-0.1 2,-0.7 -28,-0.1 -27,-0.4 0.651 81.8 90.8 -87.0 -17.8 17.8 5.2 -24.6 79 80 A V < - 0 0 24 -3,-1.3 -29,-0.2 1,-0.2 3,-0.1 -0.733 51.9-176.2 -86.0 112.6 19.7 7.5 -22.2 80 81 A I S S- 0 0 36 -31,-2.2 2,-0.3 -2,-0.7 -1,-0.2 0.913 70.6 -11.9 -72.0 -46.5 18.9 11.1 -23.1 81 82 A A E -E 49 0C 7 -32,-0.7 -32,-2.3 15,-0.1 2,-0.3 -0.984 66.4-178.7-156.2 152.6 21.4 12.6 -20.5 82 83 A H E -E 48 0C 93 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.2 -0.993 18.7-144.2-157.7 148.5 23.4 11.4 -17.6 83 84 A T - 0 0 2 -36,-1.5 2,-0.1 -2,-0.3 11,-0.1 -0.482 40.4 -99.0 -97.6 174.7 25.9 12.4 -14.8 84 85 A K - 0 0 102 -2,-0.2 2,-0.5 9,-0.1 -37,-0.2 -0.343 47.9 -84.3 -86.8 174.1 28.7 10.2 -13.7 85 86 A L - 0 0 0 -18,-0.2 2,-0.4 -39,-0.1 -39,-0.2 -0.735 53.3-165.9 -82.9 124.6 28.5 8.0 -10.5 86 87 A I B -H 45 0D 0 -41,-2.8 -41,-2.4 -2,-0.5 2,-0.1 -0.931 13.5-153.6-120.8 142.4 29.4 10.0 -7.4 87 88 A G > - 0 0 4 -2,-0.4 3,-1.6 -43,-0.2 -53,-0.1 -0.315 51.8 -56.2 -94.8-179.5 30.3 9.2 -3.8 88 89 A S T 3 S+ 0 0 30 -50,-2.1 -1,-0.2 1,-0.2 -48,-0.1 -0.357 125.4 20.0 -62.7 134.5 29.8 11.4 -0.7 89 90 A G T 3 S+ 0 0 74 -55,-2.2 -1,-0.2 1,-0.3 2,-0.2 0.329 103.1 110.7 89.0 -6.7 31.5 14.8 -0.9 90 91 A E < - 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