==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 11-MAY-00 1EZL . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR N.BONANDER,J.LECKNER,H.GUO,B.G.KARLSSON,L.SJOLIN . 512 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21186.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 313 61.1 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 . 98 19.1 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 . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 34 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 10.0 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 4 0 0 0 0 3 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 1 0 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 . 7 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 0 116 0, 0.0 3,-0.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-166.0 -10.4 54.1 26.9 2 2 A E T 3 - 0 0 183 1,-0.3 3,-0.0 3,-0.0 0, 0.0 -0.506 360.0 -35.5 -67.4 116.7 -11.7 54.5 23.4 3 3 A A T 3 S+ 0 0 33 -2,-0.4 27,-1.6 26,-0.1 2,-0.3 0.725 127.6 86.0 37.7 38.3 -8.9 53.4 21.0 4 4 A S E < -a 30 0A 26 -3,-0.9 2,-0.4 25,-0.2 27,-0.3 -0.971 66.0-146.3-157.2 142.9 -6.3 55.0 23.4 5 5 A V E -a 31 0A 35 25,-3.2 27,-3.5 -2,-0.3 2,-0.6 -0.936 6.5-139.9-130.1 144.7 -4.7 53.4 26.4 6 6 A D E +a 32 0A 116 -2,-0.4 2,-0.3 25,-0.2 27,-0.1 -0.897 33.5 160.7-100.3 119.7 -3.5 54.5 29.9 7 7 A I E -a 33 0A 4 25,-2.2 27,-1.7 -2,-0.6 2,-0.3 -0.884 21.6-151.1-140.9 159.8 -0.2 53.1 31.2 8 8 A Q E -a 34 0A 79 -2,-0.3 8,-0.9 25,-0.2 2,-0.4 -0.971 11.9-160.1-132.3 155.9 2.6 53.6 33.7 9 9 A G B -C 15 0B 0 25,-1.1 6,-0.2 -2,-0.3 2,-0.1 -0.986 32.0-168.8-133.2 112.3 6.2 52.9 34.2 10 10 A N > - 0 0 28 4,-1.6 3,-1.0 -2,-0.4 4,-0.3 -0.307 36.8 -88.4 -98.1-172.2 6.9 53.2 37.9 11 11 A D T 3 S+ 0 0 13 1,-0.2 26,-0.1 2,-0.2 78,-0.0 0.456 118.6 63.0 -78.4 -8.3 10.0 53.3 40.0 12 12 A Q T 3 S- 0 0 96 2,-0.1 -1,-0.2 32,-0.0 25,-0.0 0.188 120.8-100.9-100.7 22.3 10.3 49.5 40.4 13 13 A M S < S+ 0 0 1 -3,-1.0 2,-0.3 1,-0.2 -2,-0.2 0.946 79.3 134.5 61.0 53.9 10.8 49.1 36.6 14 14 A Q - 0 0 17 -4,-0.3 -4,-1.6 107,-0.1 2,-0.3 -0.945 50.3-150.0-136.8 152.1 7.3 48.0 36.0 15 15 A F B -C 9 0B 10 -2,-0.3 -6,-0.2 105,-0.3 107,-0.1 -0.785 23.2-136.3-104.0 156.6 4.4 48.6 33.6 16 16 A N S S+ 0 0 51 -8,-0.9 -1,-0.2 -2,-0.3 2,-0.2 0.919 90.7 45.4 -74.7 -45.0 1.0 48.1 35.1 17 17 A T - 0 0 40 -9,-0.2 105,-0.1 -3,-0.1 3,-0.1 -0.489 51.8-175.3-102.7 156.8 0.1 46.3 32.0 18 18 A N S S+ 0 0 26 1,-0.2 106,-2.2 -2,-0.2 2,-0.3 0.075 75.1 48.7-132.6 20.4 1.7 43.6 29.8 19 19 A A E -d 124 0C 56 104,-0.3 2,-0.4 2,-0.0 -1,-0.2 -0.861 54.6-171.1-164.4 124.0 -0.8 43.4 27.0 20 20 A I E -d 125 0C 4 104,-3.1 106,-1.6 -2,-0.3 2,-0.5 -0.943 12.9-154.9-113.4 134.4 -2.5 46.1 24.8 21 21 A T E -d 126 0C 73 -2,-0.4 2,-0.4 104,-0.2 106,-0.2 -0.975 9.4-163.4-112.8 129.4 -5.3 45.0 22.5 22 22 A V E -d 127 0C 0 104,-3.1 106,-4.2 -2,-0.5 2,-0.4 -0.882 15.1-128.7-111.5 143.8 -6.0 47.2 19.5 23 23 A D > - 0 0 58 -2,-0.4 3,-1.7 104,-0.2 104,-0.1 -0.742 9.9-134.2 -96.5 138.9 -9.1 47.1 17.5 24 24 A K T 3 S+ 0 0 142 -2,-0.4 -1,-0.1 1,-0.2 78,-0.1 0.801 108.0 56.0 -55.4 -27.6 -9.1 46.7 13.7 25 25 A S T 3 S+ 0 0 79 103,-0.1 2,-0.4 2,-0.0 -1,-0.2 0.480 79.2 98.4 -89.3 1.4 -11.7 49.5 13.7 26 26 A A < - 0 0 13 -3,-1.7 3,-0.1 1,-0.2 -4,-0.0 -0.727 63.5-156.2 -87.1 125.6 -9.6 52.0 15.5 27 27 A K S S+ 0 0 168 -2,-0.4 72,-2.4 1,-0.2 73,-0.5 0.750 78.2 5.7 -68.6 -36.9 -8.2 54.2 12.7 28 28 A Q E S- B 0 98A 99 70,-0.3 2,-0.4 71,-0.2 70,-0.3 -0.848 75.6-135.8-138.8 164.2 -5.2 55.3 14.9 29 29 A F E - B 0 97A 10 68,-2.7 68,-2.1 -2,-0.3 2,-0.4 -0.990 11.9-158.5-137.0 128.9 -4.2 54.2 18.4 30 30 A T E -aB 4 96A 35 -27,-1.6 -25,-3.2 -2,-0.4 2,-0.5 -0.944 4.5-170.5-111.4 128.9 -3.0 56.5 21.4 31 31 A V E -aB 5 95A 0 64,-2.4 64,-1.9 -2,-0.4 2,-0.6 -0.978 11.5-153.8-118.5 123.1 -0.9 55.3 24.3 32 32 A N E -aB 6 94A 34 -27,-3.5 -25,-2.2 -2,-0.5 2,-0.5 -0.917 11.3-159.0-106.3 121.9 -0.6 57.8 27.1 33 33 A L E +aB 7 93A 1 60,-3.2 60,-1.5 -2,-0.6 2,-0.4 -0.901 16.9 168.2-105.9 125.1 2.5 57.4 29.2 34 34 A S E -aB 8 92A 40 -27,-1.7 -25,-1.1 -2,-0.5 58,-0.2 -0.991 23.5-147.2-131.5 142.7 3.1 58.7 32.8 35 35 A H - 0 0 3 56,-1.4 55,-3.4 -2,-0.4 56,-0.3 -0.816 15.9-164.8-108.3 89.2 5.9 57.8 35.2 36 36 A P + 0 0 49 0, 0.0 2,-0.2 0, 0.0 3,-0.2 -0.346 51.1 59.2 -69.8 159.5 4.7 57.8 38.9 37 37 A G S S- 0 0 43 -27,-0.1 -2,-0.1 1,-0.1 51,-0.0 -0.634 88.2 -88.1 115.7-176.1 7.5 57.8 41.5 38 38 A N S S+ 0 0 144 -2,-0.2 -1,-0.1 51,-0.1 50,-0.0 0.290 76.6 115.6-117.6 -4.6 10.5 60.1 42.4 39 39 A L - 0 0 17 -3,-0.2 50,-2.9 5,-0.1 2,-0.1 -0.523 60.7-128.7 -75.4 139.1 13.4 58.9 40.2 40 40 A P >> - 0 0 63 0, 0.0 4,-2.3 0, 0.0 3,-1.5 -0.470 33.2 -98.7 -74.8 160.9 14.8 61.3 37.5 41 41 A K H 3> S+ 0 0 70 1,-0.3 4,-1.5 2,-0.2 46,-0.1 0.889 116.0 64.2 -57.2 -39.5 15.2 59.9 33.9 42 42 A N H 34 S+ 0 0 43 1,-0.2 -1,-0.3 2,-0.2 26,-0.0 0.740 117.5 27.7 -55.3 -25.8 18.9 59.1 34.1 43 43 A V H <4 S+ 0 0 2 -3,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.811 140.9 16.9-100.7 -50.0 18.3 56.4 36.7 44 44 A M H < S+ 0 0 0 -4,-2.3 -2,-0.2 2,-0.0 -3,-0.2 -0.283 80.6 165.4-123.8 50.2 14.7 55.3 36.1 45 45 A G < - 0 0 0 -4,-1.5 2,-0.4 -5,-0.1 69,-0.2 -0.351 14.1-167.7 -68.5 134.2 14.0 56.5 32.5 46 46 A H B +H 87 0D 1 41,-2.5 41,-2.5 -37,-0.1 2,-0.3 -0.984 15.0 165.5-128.3 128.2 10.9 55.1 30.8 47 47 A N - 0 0 1 -2,-0.4 2,-0.5 39,-0.3 39,-0.1 -0.778 32.4-130.9-122.7 162.0 9.8 55.2 27.1 48 48 A W - 0 0 0 -2,-0.3 36,-1.5 37,-0.3 2,-0.4 -0.995 31.6-174.8-115.9 120.0 7.1 53.1 25.5 49 49 A V E -EF 83 111C 0 62,-2.5 62,-2.0 -2,-0.5 2,-0.4 -0.971 10.4-158.6-121.7 140.7 8.4 51.6 22.3 50 50 A L E +EF 82 110C 0 32,-2.6 31,-2.9 -2,-0.4 32,-0.9 -0.952 27.1 133.2-123.0 136.7 6.7 49.5 19.7 51 51 A S E - F 0 109C 0 58,-1.7 58,-2.0 -2,-0.4 29,-0.1 -0.894 59.2 -74.2-160.1 174.5 8.1 47.1 17.1 52 52 A T E > - F 0 108C 19 27,-0.4 4,-0.5 -2,-0.3 56,-0.3 -0.388 49.5-107.5 -74.4 165.7 7.4 43.6 15.8 53 53 A A T 4 S+ 0 0 7 54,-2.9 4,-0.4 1,-0.2 3,-0.2 0.736 119.9 54.5 -66.5 -26.5 8.4 40.8 18.1 54 54 A A T 4 S+ 0 0 39 53,-0.3 4,-0.4 1,-0.2 132,-0.3 0.863 108.4 46.8 -76.6 -36.6 11.4 39.9 15.7 55 55 A D T > S+ 0 0 53 1,-0.2 4,-3.3 -3,-0.1 5,-0.2 0.488 87.4 93.6 -82.0 -6.7 12.9 43.5 15.7 56 56 A M H X S+ 0 0 33 -4,-0.5 4,-3.0 1,-0.2 5,-0.2 0.959 84.7 45.7 -57.2 -54.1 12.7 43.8 19.5 57 57 A Q H > S+ 0 0 20 -4,-0.4 4,-3.5 125,-0.2 -1,-0.2 0.861 117.4 41.6 -58.0 -46.2 16.2 42.7 20.2 58 58 A G H > S+ 0 0 7 -4,-0.4 4,-2.5 2,-0.2 5,-0.4 0.917 114.3 52.7 -66.9 -44.6 17.9 44.7 17.5 59 59 A V H X S+ 0 0 0 -4,-3.3 4,-2.4 2,-0.2 15,-0.3 0.986 116.9 39.6 -53.2 -57.3 15.7 47.7 18.3 60 60 A V H X S+ 0 0 14 -4,-3.0 4,-1.9 2,-0.2 5,-0.2 0.935 115.8 50.5 -53.4 -59.1 16.8 47.3 22.1 61 61 A T H X S+ 0 0 32 -4,-3.5 4,-0.8 1,-0.2 -1,-0.2 0.905 117.1 40.7 -46.4 -52.7 20.6 46.4 21.4 62 62 A D H < S+ 0 0 41 -4,-2.5 4,-0.4 1,-0.2 3,-0.3 0.846 111.6 54.7 -65.4 -43.0 20.9 49.5 19.1 63 63 A G H >X S+ 0 0 0 -4,-2.4 3,-0.7 -5,-0.4 4,-0.7 0.826 104.6 55.0 -63.7 -29.5 18.9 51.9 21.2 64 64 A M H 3< S+ 0 0 33 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.806 106.4 52.3 -68.3 -36.9 21.2 51.1 24.2 65 65 A A T 3< S+ 0 0 86 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.481 96.1 72.5 -74.0 -10.7 24.1 52.1 22.0 66 66 A S T <4 S- 0 0 22 -3,-0.7 4,-0.4 -4,-0.4 -1,-0.2 0.796 96.2-134.3 -78.1 -33.5 22.4 55.4 21.2 67 67 A G ><> - 0 0 20 -4,-0.7 5,-2.5 -3,-0.3 3,-0.7 -0.019 23.3 -80.2 96.2 155.0 22.9 57.0 24.6 68 68 A L G > 5S+ 0 0 52 1,-0.2 3,-2.6 3,-0.2 -1,-0.1 0.882 127.8 63.5 -53.1 -49.5 20.8 59.0 27.1 69 69 A D G 3 5S+ 0 0 132 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.848 109.4 37.6 -48.2 -34.8 21.4 61.9 24.9 70 70 A K G X 5S- 0 0 98 -3,-0.7 3,-0.8 -4,-0.4 -1,-0.3 0.300 118.5-111.5 -98.9 4.8 19.5 60.2 22.1 71 71 A D T < 5 - 0 0 46 -3,-2.6 -3,-0.2 1,-0.2 42,-0.2 0.763 57.8 -77.1 70.2 23.9 16.9 58.6 24.6 72 72 A Y T 3 - 0 0 76 -2,-0.4 3,-1.7 -15,-0.3 -11,-0.1 -0.628 40.5-119.9 -64.5 115.4 18.4 54.7 17.5 75 75 A P T 3 S+ 0 0 61 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.289 94.1 16.6 -60.1 141.8 17.0 57.7 15.8 76 76 A D T 3 S+ 0 0 154 1,-0.3 2,-0.8 2,-0.0 -2,-0.1 0.549 82.8 166.9 68.7 15.4 15.4 57.0 12.4 77 77 A D X - 0 0 17 -3,-1.7 3,-2.3 1,-0.2 -1,-0.3 -0.411 25.6-159.1 -66.3 105.5 15.2 53.4 13.4 78 78 A S T 3 S+ 0 0 110 -2,-0.8 -1,-0.2 1,-0.3 -2,-0.0 0.410 84.3 72.4 -66.4 -7.7 12.9 52.1 10.8 79 79 A R T 3 S+ 0 0 53 -24,-0.1 2,-0.5 -28,-0.0 -27,-0.4 0.595 77.7 94.0 -82.5 -10.3 12.1 49.2 13.0 80 80 A V < - 0 0 28 -3,-2.3 -29,-0.2 1,-0.1 3,-0.1 -0.699 50.6-172.8 -92.1 127.2 10.1 51.3 15.3 81 81 A I S S- 0 0 34 -31,-2.9 2,-0.2 -2,-0.5 -30,-0.2 0.551 72.6 -27.1 -86.9 -15.1 6.3 51.5 14.8 82 82 A A E +E 50 0C 11 -32,-0.9 -32,-2.6 15,-0.1 -1,-0.4 -0.720 64.3 175.5 166.6 148.8 5.9 54.2 17.4 83 83 A H E -E 49 0C 87 -34,-0.2 -34,-0.2 -2,-0.2 2,-0.1 -0.995 22.6-132.1-165.5 159.6 7.4 55.6 20.6 84 84 A T - 0 0 3 -36,-1.5 2,-0.2 -2,-0.3 11,-0.1 -0.359 43.3 -93.2 -98.6-176.2 7.3 58.2 23.3 85 85 A K - 0 0 122 -2,-0.1 2,-0.6 7,-0.1 -37,-0.3 -0.398 50.8 -92.3 -83.4 176.8 10.4 60.1 24.5 86 86 A L - 0 0 2 -2,-0.2 2,-0.3 -39,-0.1 -39,-0.3 -0.837 52.7-167.5 -98.7 121.0 12.2 58.7 27.5 87 87 A I B -H 46 0D 6 -41,-2.5 -41,-2.5 -2,-0.6 3,-0.1 -0.859 15.0-144.7-115.2 148.1 10.7 60.4 30.6 88 88 A G > - 0 0 0 -2,-0.3 3,-1.1 -43,-0.2 -53,-0.3 -0.123 55.8 -45.5 -89.2-165.1 11.7 60.5 34.3 89 89 A S T 3 S+ 0 0 30 -50,-2.9 -1,-0.2 1,-0.2 -48,-0.1 -0.419 124.7 12.4 -75.9 141.9 9.3 60.6 37.2 90 90 A G T 3 S+ 0 0 68 -55,-3.4 -1,-0.2 1,-0.3 2,-0.2 0.771 102.1 116.1 71.8 20.3 6.2 62.8 37.2 91 91 A E < - 0 0 84 -3,-1.1 -56,-1.4 -56,-0.3 -1,-0.3 -0.667 47.7-156.9-110.8 175.2 6.8 63.5 33.4 92 92 A K E +B 34 0A 105 -2,-0.2 2,-0.3 -58,-0.2 -58,-0.2 -0.938 18.4 162.5-149.3 165.6 4.4 62.5 30.6 93 93 A D E -B 33 0A 26 -60,-1.5 -60,-3.2 -2,-0.3 2,-0.3 -0.908 13.7-157.7-177.0 155.5 4.2 61.8 26.9 94 94 A S E -B 32 0A 55 -2,-0.3 2,-0.4 -62,-0.2 -62,-0.2 -0.962 3.3-153.7-146.1 156.9 1.9 60.1 24.5 95 95 A V E -B 31 0A 20 -64,-1.9 -64,-2.4 -2,-0.3 2,-0.4 -0.991 4.3-170.3-134.4 140.4 2.1 58.6 21.1 96 96 A T E +B 30 0A 79 -2,-0.4 2,-0.3 -66,-0.2 -66,-0.2 -0.998 13.8 177.4-128.9 125.8 -0.6 58.2 18.4 97 97 A F E -B 29 0A 2 -68,-2.1 -68,-2.7 -2,-0.4 2,-0.2 -0.956 37.3 -97.8-132.9 152.6 0.1 56.0 15.4 98 98 A D E > -B 28 0A 59 -2,-0.3 3,-1.4 -70,-0.3 -70,-0.3 -0.462 27.5-140.5 -63.7 130.2 -2.1 55.0 12.4 99 99 A V G > S+ 0 0 10 -72,-2.4 3,-1.4 1,-0.3 -71,-0.2 0.599 92.3 78.0 -74.4 -4.8 -3.5 51.5 13.0 100 100 A S G 3 S+ 0 0 95 -73,-0.5 -1,-0.3 1,-0.3 -72,-0.1 0.576 75.2 75.1 -77.6 -11.3 -2.9 50.5 9.3 101 101 A K G < S+ 0 0 111 -3,-1.4 2,-0.4 -20,-0.1 -1,-0.3 0.464 86.9 80.5 -74.8 -4.4 0.7 50.0 10.1 102 102 A L < - 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