==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 11-AUG-09 3IN2 . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR Y.G.GAO,H.ROBINSON . 128 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6656.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 53.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 13.3 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 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 . 14 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 6.2 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 0 123 0, 0.0 3,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 136.1 7.0 1.7 25.7 2 2 A E - 0 0 167 1,-0.2 0, 0.0 27,-0.0 0, 0.0 -0.662 360.0 -14.1 -86.1 153.1 6.3 0.5 22.2 3 3 A a S S+ 0 0 27 -2,-0.3 2,-0.3 26,-0.1 -1,-0.2 0.591 123.6 72.7 20.5 49.7 6.4 2.9 19.2 4 4 A S - 0 0 28 -3,-0.4 2,-0.4 25,-0.2 27,-0.2 -0.881 62.5-155.6-166.1 154.8 6.4 6.0 21.5 5 5 A V B -a 31 0A 37 25,-1.9 2,-1.6 -2,-0.3 27,-1.0 -0.974 17.6-134.2-142.5 125.4 9.0 7.5 23.9 6 6 A D + 0 0 107 -2,-0.4 27,-0.1 25,-0.2 25,-0.1 -0.573 37.5 179.3 -82.8 88.1 8.3 9.7 26.9 7 7 A I + 0 0 0 -2,-1.6 2,-0.3 25,-0.3 8,-0.0 -0.244 6.9 178.8 -82.2 174.8 10.8 12.6 26.5 8 8 A Q - 0 0 70 25,-0.2 8,-1.2 9,-0.1 9,-0.3 -0.958 15.1-158.8-167.0 162.5 11.3 15.6 28.6 9 9 A G E -B 15 0B 3 25,-1.5 2,-0.3 -2,-0.3 6,-0.2 -0.970 18.1-160.6-146.7 150.5 13.5 18.8 29.0 10 10 A N E >> -B 14 0B 51 4,-1.1 4,-0.7 -2,-0.3 3,-0.7 -0.935 37.4 -96.4-143.6 165.2 14.2 21.0 32.1 11 11 A D T 34 S+ 0 0 38 25,-0.5 2,-0.3 1,-0.3 26,-0.1 0.697 114.5 70.6 -41.0 -33.5 15.3 24.3 33.5 12 12 A Q T 34 S- 0 0 136 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 -0.126 113.4-117.7 -84.3 35.3 18.8 22.8 34.0 13 13 A M T <4 S+ 0 0 46 -3,-0.7 2,-0.4 -2,-0.3 -2,-0.2 0.680 74.1 125.7 31.5 43.9 19.1 22.9 30.2 14 14 A Q E < -B 10 0B 105 -4,-0.7 -4,-1.1 107,-0.1 2,-0.3 -0.984 57.8-133.8-132.4 139.6 19.4 19.1 30.0 15 15 A F E -B 9 0B 25 -2,-0.4 -6,-0.2 105,-0.2 107,-0.1 -0.669 17.8-135.1 -84.3 141.7 17.5 16.4 28.2 16 16 A N S S+ 0 0 78 -8,-1.2 2,-0.3 -2,-0.3 -1,-0.1 0.592 92.9 28.1 -78.3 -6.1 16.5 13.3 30.2 17 17 A T - 0 0 41 -9,-0.3 -1,-0.1 105,-0.1 -9,-0.1 -0.990 58.9-162.5-149.2 146.6 17.8 11.1 27.4 18 18 A N S S+ 0 0 119 -2,-0.3 106,-1.1 1,-0.1 2,-0.2 -0.296 73.8 35.3-124.7 48.1 20.4 11.6 24.7 19 19 A A E -c 124 0C 46 104,-0.4 2,-0.3 2,-0.0 106,-0.3 -0.785 55.8-159.0 172.3 151.5 19.4 8.9 22.2 20 20 A I E -c 125 0C 9 104,-3.5 106,-2.8 -2,-0.2 2,-0.5 -0.944 4.0-160.9-146.2 119.1 16.4 7.1 20.7 21 21 A T E -c 126 0C 82 -2,-0.3 2,-0.3 104,-0.2 106,-0.2 -0.907 15.0-157.4-103.2 126.4 16.1 3.8 19.0 22 22 A V - 0 0 1 104,-4.6 2,-0.5 -2,-0.5 106,-0.1 -0.747 20.3-111.2-104.2 147.8 13.1 3.2 16.8 23 23 A D > - 0 0 81 -2,-0.3 3,-2.7 1,-0.1 104,-0.1 -0.650 12.7-139.1 -86.6 122.9 11.6 -0.1 15.8 24 24 A K T 3 S+ 0 0 128 104,-1.1 -1,-0.1 -2,-0.5 103,-0.0 0.588 109.1 45.8 -54.1 -14.2 11.8 -1.1 12.2 25 25 A S T 3 S+ 0 0 97 3,-0.0 -1,-0.3 2,-0.0 2,-0.2 0.460 83.1 115.6-106.2 -8.6 8.3 -2.5 12.4 26 26 A a < - 0 0 7 -3,-2.7 3,-0.2 1,-0.2 73,-0.1 -0.444 48.7-168.8 -52.4 121.6 7.1 0.6 14.2 27 27 A K S S+ 0 0 180 1,-0.3 -1,-0.2 -2,-0.2 73,-0.1 0.182 74.6 11.0-108.0 21.9 4.7 2.0 11.7 28 28 A Q S S- 0 0 111 70,-0.1 -1,-0.3 71,-0.1 70,-0.2 -0.305 73.2-155.9 166.4 104.9 4.4 5.4 13.5 29 29 A F E -F 97 0D 8 68,-1.2 68,-0.6 -3,-0.2 2,-0.3 -0.345 8.6-153.3 -83.0 167.0 6.6 6.6 16.3 30 30 A T E -F 96 0D 26 66,-0.2 -25,-1.9 -2,-0.1 2,-0.5 -0.998 11.2-165.6-144.3 140.5 5.6 9.3 18.9 31 31 A V B -a 5 0A 0 64,-3.5 2,-1.0 -2,-0.3 64,-0.2 -0.858 8.0-165.0-130.1 102.1 7.5 11.7 21.0 32 32 A N - 0 0 36 -27,-1.0 62,-0.3 -2,-0.5 -25,-0.3 -0.746 14.3-151.4 -87.5 96.9 5.6 13.3 23.9 33 33 A L - 0 0 2 60,-1.6 2,-0.3 -2,-1.0 -25,-0.2 -0.370 12.6-170.0 -65.6 144.5 7.5 16.3 25.1 34 34 A S - 0 0 34 58,-0.2 -25,-1.5 -2,-0.1 58,-0.2 -0.941 11.0-157.9-143.5 117.8 7.1 17.2 28.8 35 35 A H + 0 0 7 56,-2.0 2,-0.8 -2,-0.3 55,-0.7 -0.849 11.1 178.6 -99.2 107.0 8.4 20.4 30.4 36 36 A P + 0 0 69 0, 0.0 -25,-0.5 0, 0.0 2,-0.3 -0.887 45.3 87.0-100.1 98.9 8.8 20.1 34.2 37 37 A G S S- 0 0 21 -2,-0.8 53,-0.2 -27,-0.2 -2,-0.1 -0.992 74.5-114.7-176.8 175.9 10.2 23.5 35.3 38 38 A N S S+ 0 0 146 -2,-0.3 -1,-0.1 51,-0.1 -28,-0.0 0.456 78.1 100.1-108.1 -4.4 9.6 27.0 36.3 39 39 A L S S- 0 0 68 5,-0.1 50,-1.6 1,-0.1 5,-0.1 -0.660 72.2-119.2 -89.7 142.5 11.0 28.9 33.4 40 40 A P > - 0 0 41 0, 0.0 4,-0.8 0, 0.0 3,-0.5 0.025 26.5-106.3 -63.9 175.9 8.8 30.3 30.7 41 41 A K T 4 S+ 0 0 75 1,-0.2 4,-0.4 2,-0.2 -2,-0.0 0.518 116.6 64.5 -81.9 -3.4 9.0 29.2 27.0 42 42 A N T 4 S+ 0 0 98 2,-0.2 -1,-0.2 1,-0.1 46,-0.0 0.648 115.7 22.1 -95.6 -12.1 10.6 32.6 26.3 43 43 A V T 4 S+ 0 0 85 -3,-0.5 -2,-0.2 71,-0.0 -1,-0.1 0.371 140.5 19.8-131.7 3.6 13.8 32.1 28.3 44 44 A M S < S+ 0 0 21 -4,-0.8 -2,-0.2 -5,-0.1 2,-0.2 -0.160 80.1 154.1-170.2 56.6 14.0 28.3 28.6 45 45 A G - 0 0 0 -4,-0.4 2,-0.3 43,-0.1 43,-0.2 -0.472 18.8-168.1 -86.9 161.0 11.9 26.7 25.8 46 46 A H B +G 87 0E 2 41,-0.6 41,-0.9 -2,-0.2 2,-0.3 -0.986 9.0 174.2-148.7 156.2 12.5 23.3 24.3 47 47 A S - 0 0 3 -2,-0.3 2,-0.7 39,-0.2 39,-0.1 -0.962 31.5-114.9-165.8 149.7 11.3 21.2 21.3 48 48 A W - 0 0 0 -2,-0.3 36,-0.7 37,-0.2 2,-0.5 -0.817 29.7-173.0 -98.1 110.0 12.0 17.9 19.6 49 49 A V E -H 83 0F 0 62,-1.1 2,-0.7 -2,-0.7 62,-0.4 -0.904 11.4-154.0-103.6 121.3 13.4 18.3 16.0 50 50 A L E +H 82 0F 0 32,-4.2 31,-2.0 -2,-0.5 32,-1.0 -0.866 43.0 121.3-100.7 111.4 13.8 15.2 13.9 51 51 A S B -D 109 0C 4 58,-1.5 58,-1.5 -2,-0.7 29,-0.1 -0.908 59.7 -99.4-169.2 137.4 16.5 15.7 11.3 52 52 A T > - 0 0 18 -2,-0.3 3,-0.6 56,-0.2 4,-0.3 0.191 34.9-111.9 -50.0 174.1 19.8 14.1 10.3 53 53 A A T 3 S+ 0 0 42 1,-0.2 4,-0.4 2,-0.2 -1,-0.1 0.582 109.8 77.7 -85.3 -10.6 23.2 15.5 11.3 54 54 A A T 3 S+ 0 0 71 53,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.627 116.3 15.3 -72.1 -9.9 23.8 16.5 7.7 55 55 A D S <> S+ 0 0 72 -3,-0.6 4,-2.3 24,-0.1 5,-0.2 0.301 94.5 105.7-143.2 5.3 21.5 19.4 8.3 56 56 A M H > S+ 0 0 26 -4,-0.3 4,-1.8 2,-0.2 -3,-0.1 0.937 83.3 48.9 -56.9 -52.5 21.1 19.7 12.0 57 57 A Q H > S+ 0 0 116 -4,-0.4 4,-3.2 1,-0.2 5,-0.4 0.943 112.6 46.8 -51.4 -57.2 23.3 22.8 12.4 58 58 A G H > S+ 0 0 24 1,-0.3 4,-2.7 2,-0.3 -1,-0.2 0.878 109.6 52.3 -57.9 -42.4 21.7 24.7 9.5 59 59 A V H < S+ 0 0 0 -4,-2.3 15,-0.4 2,-0.2 -1,-0.3 0.858 116.1 45.9 -62.4 -30.2 18.2 23.9 10.8 60 60 A V H >X S+ 0 0 8 -4,-1.8 3,-3.0 -3,-0.3 4,-2.2 0.990 115.9 39.5 -68.8 -72.9 19.6 25.3 14.0 61 61 A T H 3< S+ 0 0 80 -4,-3.2 -3,-0.2 1,-0.3 -2,-0.2 0.794 122.5 44.5 -49.8 -32.8 21.3 28.5 12.8 62 62 A D T 3< S+ 0 0 60 -4,-2.7 -1,-0.3 -5,-0.4 4,-0.3 0.498 110.1 59.9 -92.1 -2.9 18.4 29.1 10.4 63 63 A G T X4 S+ 0 0 0 -3,-3.0 3,-1.0 2,-0.2 -2,-0.2 0.851 99.6 50.2 -86.9 -48.3 16.1 28.2 13.3 64 64 A M T 3< S+ 0 0 78 -4,-2.2 -2,-0.1 1,-0.2 -3,-0.1 0.535 106.0 63.4 -71.4 -2.3 17.1 31.0 15.7 65 65 A A T 3 S+ 0 0 75 -5,-0.3 2,-2.2 1,-0.1 -1,-0.2 0.715 79.2 84.4 -86.1 -32.5 16.7 33.3 12.7 66 66 A S S < S- 0 0 17 -3,-1.0 6,-1.0 -4,-0.3 7,-0.6 -0.466 101.2-107.5 -80.8 76.0 12.9 32.6 12.4 67 67 A G - 0 0 31 -2,-2.2 5,-0.2 1,-0.2 -1,-0.1 0.161 34.5 -89.3 37.4-150.8 11.8 35.2 15.0 68 68 A L S > S+ 0 0 70 3,-0.1 3,-0.6 4,-0.1 -1,-0.2 0.427 128.6 57.7-120.6 -22.0 10.5 34.0 18.3 69 69 A D T 3 S+ 0 0 116 1,-0.2 -2,-0.1 2,-0.1 -3,-0.0 0.748 96.9 62.2 -77.7 -30.1 6.9 33.8 17.0 70 70 A K T > S- 0 0 99 -4,-0.4 3,-1.8 -7,-0.1 -1,-0.2 0.002 120.7-113.5 -84.9 27.1 8.2 31.4 14.3 71 71 A D T < - 0 0 39 -3,-0.6 42,-0.2 1,-0.3 -3,-0.1 0.709 57.7 -74.5 46.1 32.9 9.1 29.2 17.3 72 72 A Y T 3 S+ 0 0 42 -6,-1.0 2,-0.3 -5,-0.2 -1,-0.3 0.900 108.5 119.4 46.0 52.1 12.8 29.7 16.5 73 73 A L S < S- 0 0 19 -3,-1.8 -1,-0.2 -7,-0.6 -10,-0.1 -0.989 73.8-112.0-143.1 131.5 12.2 27.3 13.5 74 74 A K > - 0 0 65 -15,-0.4 3,-1.4 -2,-0.3 2,-0.1 -0.588 48.6-105.6 -71.0 125.0 12.6 27.9 9.8 75 75 A P T 3 S- 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.349 94.5 -3.6 -59.9 122.8 9.1 27.8 8.3 76 76 A D T 3 S- 0 0 163 1,-0.2 2,-0.3 -2,-0.1 4,-0.1 0.793 82.5-174.1 68.0 39.1 8.4 24.6 6.4 77 77 A D X - 0 0 24 -3,-1.4 3,-0.5 1,-0.2 -1,-0.2 -0.479 21.2-163.3 -64.0 121.8 11.9 23.1 6.7 78 78 A S T 3 S+ 0 0 114 -2,-0.3 -1,-0.2 1,-0.2 2,-0.0 0.657 87.2 78.0 -74.5 -19.2 12.3 19.9 4.7 79 79 A R T 3 S+ 0 0 56 1,-0.1 -1,-0.2 -28,-0.1 2,-0.2 -0.063 89.6 62.3 -81.0 29.1 15.3 19.4 6.9 80 80 A V < - 0 0 16 -3,-0.5 -29,-0.2 -29,-0.1 3,-0.1 -0.799 56.5-176.6-154.6 104.6 12.9 18.3 9.6 81 81 A I S S+ 0 0 49 -31,-2.0 2,-0.3 1,-0.3 17,-0.2 0.844 82.7 3.6 -71.8 -31.6 10.7 15.2 9.1 82 82 A A E +H 50 0F 7 -32,-1.0 -32,-4.2 15,-0.1 2,-0.3 -0.989 67.8 167.3-152.3 150.6 9.1 15.9 12.4 83 83 A H E -H 49 0F 90 -2,-0.3 2,-0.3 -34,-0.3 -34,-0.3 -0.974 25.5-123.8-157.1 161.3 9.3 18.6 15.2 84 84 A T - 0 0 6 -36,-0.7 11,-0.1 -2,-0.3 -52,-0.0 -0.753 32.5 -98.6-110.3 163.7 7.3 19.7 18.3 85 85 A K - 0 0 123 9,-0.4 2,-1.4 -2,-0.3 -37,-0.2 -0.316 47.4 -96.3 -68.1 164.0 5.8 23.0 19.2 86 86 A L + 0 0 4 -39,-0.1 -39,-0.2 -41,-0.1 -1,-0.1 -0.671 54.9 176.5 -81.8 89.2 7.8 25.2 21.5 87 87 A I B -G 46 0E 8 -2,-1.4 -41,-0.6 -41,-0.9 2,-0.3 -0.054 3.2-176.9 -77.5-164.8 6.2 24.4 24.9 88 88 A G > + 0 0 1 -43,-0.2 3,-3.6 -53,-0.1 -53,-0.3 -0.878 42.5 5.9-168.3-168.1 7.5 25.8 28.2 89 89 A S T 3 S- 0 0 55 -50,-1.6 -51,-0.1 1,-0.3 -48,-0.1 0.140 132.7 -11.9 -29.0 112.9 7.0 25.8 32.0 90 90 A G T 3 S+ 0 0 68 -55,-0.7 -1,-0.3 1,-0.2 2,-0.1 0.479 108.2 128.7 67.5 1.6 4.5 23.1 32.9 91 91 A E < - 0 0 87 -3,-3.6 -56,-2.0 -54,-0.0 2,-0.3 -0.300 42.2-159.3 -81.8 172.2 3.5 22.8 29.2 92 92 A K + 0 0 125 -58,-0.2 2,-0.2 -3,-0.1 -58,-0.2 -0.811 17.6 158.9-158.5 110.3 3.4 19.5 27.3 93 93 A D + 0 0 40 -2,-0.3 -60,-1.6 -8,-0.1 2,-0.2 -0.752 8.2 175.2-126.9 177.7 3.5 18.9 23.6 94 94 A S - 0 0 34 -62,-0.3 -9,-0.4 -2,-0.2 2,-0.2 -0.760 14.3-147.7-158.0-162.9 4.4 16.0 21.2 95 95 A V - 0 0 34 -2,-0.2 -64,-3.5 -64,-0.2 2,-0.4 -0.831 7.4-147.3 175.0 144.4 4.6 14.7 17.6 96 96 A T E -F 30 0D 67 -66,-0.3 -66,-0.2 -2,-0.2 2,-0.2 -0.989 22.1-162.8-125.4 123.4 4.2 11.4 15.7 97 97 A F E -F 29 0D 5 -68,-0.6 -68,-1.2 -2,-0.4 2,-0.5 -0.679 26.3-103.6-112.0 168.1 6.3 10.7 12.6 98 98 A D > - 0 0 69 -2,-0.2 3,-2.1 -70,-0.2 4,-0.5 -0.734 21.5-149.1 -81.2 121.6 6.2 8.3 9.7 99 99 A V T 3 S+ 0 0 21 -2,-0.5 -1,-0.1 1,-0.3 -71,-0.1 0.265 98.7 66.8 -81.1 15.6 8.8 5.6 10.2 100 100 A S T 3 S+ 0 0 98 -73,-0.1 -1,-0.3 1,-0.1 -73,-0.0 0.433 93.3 59.6-100.5 -14.2 9.1 5.5 6.4 101 101 A K S < S+ 0 0 110 -3,-2.1 2,-0.9 1,-0.1 -2,-0.2 0.608 90.1 84.5 -80.7 -24.3 10.6 9.0 6.8 102 102 A L S S- 0 0 7 -4,-0.5 2,-0.4 -21,-0.0 -1,-0.1 -0.743 72.4-157.2 -88.4 103.2 13.3 7.4 9.0 103 103 A K - 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