==== 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 TRANSPORT PROTEIN 11-SEP-09 3JT2 . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR Y.G.GAO,H.ROBINSON . 256 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12165.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 21.5 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 . 2 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 . 18 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 2 0 0 0 0 2 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 . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 0 2 4 0 0 1 1 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 2 0 2 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 0 115 0, 0.0 3,-0.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 108.4 6.5 23.9 11.8 2 2 A E T 3 - 0 0 170 1,-0.2 3,-0.1 20,-0.0 20,-0.1 -0.668 360.0 -1.1 -81.0 131.4 6.7 25.3 8.3 3 3 A a T 3 S+ 0 0 43 -2,-0.4 27,-2.2 1,-0.1 2,-0.3 0.626 124.7 67.6 67.0 14.7 6.7 22.7 5.5 4 4 A S E < -a 30 0A 34 -3,-0.7 2,-0.3 25,-0.2 27,-0.2 -0.984 56.8-159.8-152.5 170.2 6.6 19.8 7.9 5 5 A V E -a 31 0A 32 25,-2.2 27,-3.3 -2,-0.3 2,-0.5 -0.976 14.7-139.3-153.0 143.4 4.4 18.0 10.4 6 6 A D E -a 32 0A 106 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.893 27.0-176.1-101.1 121.7 4.9 15.6 13.3 7 7 A I E -a 33 0A 1 25,-3.6 27,-2.1 -2,-0.5 2,-0.4 -0.956 10.7-158.6-124.3 137.5 2.3 12.8 13.5 8 8 A Q E -a 34 0A 91 -2,-0.4 8,-2.0 25,-0.2 2,-0.4 -0.962 3.2-165.0-119.0 136.2 1.8 10.1 16.1 9 9 A G B -C 15 0B 0 25,-1.7 6,-0.2 -2,-0.4 2,-0.2 -0.974 21.7-167.5-111.8 122.5 -0.0 6.8 15.6 10 10 A N > - 0 0 43 4,-1.8 3,-1.2 -2,-0.4 4,-0.2 -0.492 39.6 -99.4-111.1 177.1 -0.8 5.0 18.9 11 11 A D T 3 S+ 0 0 14 25,-0.4 234,-0.2 1,-0.3 26,-0.1 0.478 116.0 71.4 -71.8 -4.9 -2.0 1.6 20.2 12 12 A Q T 3 S- 0 0 102 2,-0.2 -1,-0.3 232,-0.1 3,-0.1 0.164 116.5-110.1 -96.3 13.3 -5.4 3.2 20.5 13 13 A M S < S+ 0 0 13 -3,-1.2 2,-0.4 1,-0.2 -2,-0.1 0.853 76.6 132.9 62.1 34.3 -5.8 3.3 16.7 14 14 A Q - 0 0 88 -4,-0.2 -4,-1.8 107,-0.1 2,-0.3 -0.972 49.5-155.2-126.5 132.2 -5.5 7.0 16.6 15 15 A F B -C 9 0B 19 -2,-0.4 -6,-0.2 105,-0.3 107,-0.1 -0.763 30.4-127.7 -82.0 138.5 -3.4 9.5 14.6 16 16 A N S S+ 0 0 87 -8,-2.0 2,-0.3 -2,-0.3 -7,-0.1 0.398 92.3 37.7 -78.1 9.0 -3.0 12.7 16.6 17 17 A T - 0 0 36 -9,-0.2 -2,-0.1 1,-0.1 3,-0.1 -0.980 52.8-170.0-150.9 147.5 -4.3 14.6 13.6 18 18 A N S S+ 0 0 113 -2,-0.3 106,-2.6 1,-0.2 2,-0.4 0.345 78.1 48.8-112.9 -2.1 -7.0 14.1 11.0 19 19 A A E -d 124 0C 52 104,-0.3 2,-0.4 90,-0.1 106,-0.2 -0.981 58.5-170.3-144.0 132.7 -6.1 17.0 8.7 20 20 A I E -d 125 0C 8 104,-3.6 106,-2.4 -2,-0.4 2,-0.6 -0.980 8.5-156.5-123.0 128.3 -2.8 18.2 7.2 21 21 A T E -d 126 0C 84 -2,-0.4 2,-0.7 104,-0.2 106,-0.2 -0.893 2.7-161.0-106.2 124.0 -2.3 21.5 5.4 22 22 A V E -d 127 0C 0 104,-3.3 106,-3.0 -2,-0.6 7,-0.1 -0.892 24.1-126.7-103.9 111.2 0.6 21.8 2.9 23 23 A D > - 0 0 70 -2,-0.7 3,-2.2 104,-0.2 104,-0.1 -0.379 13.2-131.1 -59.5 131.2 1.4 25.5 2.3 24 24 A K T 3 S+ 0 0 119 104,-3.8 -1,-0.2 1,-0.3 103,-0.1 0.701 106.6 60.8 -57.1 -21.8 1.4 26.1 -1.5 25 25 A S T 3 S+ 0 0 96 103,-0.4 -1,-0.3 2,-0.0 -2,-0.1 0.729 78.2 108.8 -76.6 -23.2 4.7 27.8 -1.0 26 26 A a < - 0 0 8 -3,-2.2 3,-0.1 1,-0.2 73,-0.1 -0.286 49.0-168.6 -61.1 135.5 6.4 24.7 0.3 27 27 A K S S+ 0 0 172 1,-0.3 72,-1.8 72,-0.1 73,-0.6 0.855 78.7 16.7 -88.0 -38.6 8.9 23.3 -2.2 28 28 A Q E S- B 0 98A 97 70,-0.2 2,-0.4 71,-0.1 -1,-0.3 -0.883 73.3-149.8-124.1 158.0 9.3 20.1 -0.3 29 29 A F E - B 0 97A 5 68,-3.1 68,-2.6 -2,-0.3 2,-0.5 -0.991 7.0-160.6-134.6 131.2 7.1 18.6 2.5 30 30 A T E -aB 4 96A 34 -27,-2.2 -25,-2.2 -2,-0.4 2,-0.5 -0.928 3.0-165.0-121.5 126.6 8.2 16.4 5.4 31 31 A V E -aB 5 95A 0 64,-2.4 64,-1.7 -2,-0.5 2,-0.7 -0.905 8.6-155.2-108.4 123.8 6.0 14.2 7.5 32 32 A N E -aB 6 94A 44 -27,-3.3 -25,-3.6 -2,-0.5 2,-0.5 -0.861 12.2-167.6-103.4 109.2 7.5 12.9 10.8 33 33 A L E +aB 7 93A 4 60,-3.2 60,-3.3 -2,-0.7 2,-0.3 -0.850 11.9 167.1-103.6 129.6 5.9 9.6 12.0 34 34 A S E -aB 8 92A 40 -27,-2.1 -25,-1.7 -2,-0.5 58,-0.2 -0.842 23.3-143.3-128.2 168.5 6.4 8.2 15.5 35 35 A H - 0 0 3 56,-1.5 55,-2.4 -2,-0.3 56,-0.5 -0.681 10.6-170.3-142.4 91.1 4.6 5.4 17.3 36 36 A P + 0 0 56 0, 0.0 -25,-0.4 0, 0.0 2,-0.3 -0.457 48.2 70.3 -68.7 146.4 4.0 5.6 21.1 37 37 A G S S- 0 0 38 -27,-0.2 -2,-0.1 -2,-0.1 51,-0.0 -0.860 78.8 -96.7 139.0-172.8 2.7 2.4 22.6 38 38 A N S S+ 0 0 149 -2,-0.3 -1,-0.1 51,-0.1 -28,-0.0 0.450 79.2 100.6-121.6 -17.4 3.6 -1.2 23.5 39 39 A L S S- 0 0 25 5,-0.1 50,-1.9 1,-0.1 2,-0.2 -0.547 70.1-118.9 -86.2 144.4 2.4 -3.3 20.6 40 40 A P >> - 0 0 64 0, 0.0 3,-2.5 0, 0.0 4,-2.0 -0.522 27.3-108.9 -79.8 148.1 4.8 -4.6 17.9 41 41 A K H 3> S+ 0 0 64 1,-0.3 4,-1.1 3,-0.2 46,-0.1 0.572 111.6 68.6 -53.8 -16.7 4.3 -3.6 14.3 42 42 A N H 34 S+ 0 0 83 2,-0.2 -1,-0.3 1,-0.1 26,-0.1 0.643 117.4 21.4 -82.9 -11.7 3.1 -7.1 13.3 43 43 A V H <4 S+ 0 0 12 -3,-2.5 -2,-0.2 130,-0.0 -1,-0.1 0.573 146.0 18.1-120.0 -22.1 -0.1 -6.8 15.2 44 44 A M H < S+ 0 0 0 -4,-2.0 -3,-0.2 2,-0.0 -2,-0.2 -0.112 82.2 160.0-140.7 34.0 -0.4 -3.0 15.4 45 45 A G < - 0 0 0 -4,-1.1 2,-0.4 -5,-0.2 43,-0.2 -0.288 20.1-159.4 -64.7 149.7 2.0 -1.6 12.8 46 46 A H B +H 87 0D 1 41,-2.9 41,-2.9 -37,-0.1 2,-0.3 -0.999 15.5 166.6-135.5 141.4 1.5 1.9 11.5 47 47 A S - 0 0 0 -2,-0.4 2,-0.6 39,-0.2 39,-0.1 -0.926 32.3-125.6-140.9 158.4 2.6 3.8 8.4 48 48 A W - 0 0 0 37,-0.3 36,-1.8 -2,-0.3 2,-0.5 -0.924 31.1-179.6-110.5 106.6 1.8 7.1 6.7 49 49 A V E -EF 83 111C 0 62,-2.0 62,-1.5 -2,-0.6 2,-0.5 -0.925 11.3-156.2-114.2 130.0 0.7 6.6 3.1 50 50 A L E +EF 82 110C 0 32,-3.4 31,-2.5 -2,-0.5 32,-1.3 -0.907 30.8 131.6-108.1 125.4 -0.3 9.5 0.8 51 51 A S E -EF 80 109C 0 58,-1.8 58,-2.6 -2,-0.5 2,-0.2 -0.917 60.5 -74.2-150.4 175.6 -2.6 9.1 -2.2 52 52 A T E >> - F 0 108C 19 27,-0.5 3,-0.9 -2,-0.3 4,-0.6 -0.573 43.4-120.2 -70.1 150.9 -5.6 10.6 -3.9 53 53 A A G >4 S+ 0 0 30 54,-1.4 3,-0.8 1,-0.2 4,-0.5 0.842 113.5 63.0 -54.0 -39.3 -8.8 9.8 -2.0 54 54 A A G 34 S+ 0 0 82 53,-0.4 -1,-0.2 1,-0.2 4,-0.2 0.815 109.6 36.7 -54.1 -37.9 -10.0 8.2 -5.2 55 55 A D G <> S+ 0 0 67 -3,-0.9 4,-2.0 1,-0.2 -1,-0.2 0.468 87.5 99.5-103.0 0.0 -7.2 5.6 -5.2 56 56 A M H S+ 0 0 110 -4,-0.5 4,-4.0 1,-0.2 -1,-0.2 0.890 111.4 41.7 -55.2 -49.3 -9.2 1.8 -1.4 58 58 A G H > S+ 0 0 23 2,-0.2 4,-2.9 -4,-0.2 -1,-0.2 0.852 114.2 53.2 -72.9 -32.9 -7.2 -0.1 -4.0 59 59 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 15,-0.4 0.925 115.8 41.2 -60.6 -45.9 -3.9 1.1 -2.4 60 60 A V H X S+ 0 0 10 -4,-3.1 4,-2.6 -5,-0.2 5,-0.2 0.971 117.0 46.9 -63.3 -58.5 -5.2 -0.2 0.9 61 61 A T H X S+ 0 0 63 -4,-4.0 4,-0.8 1,-0.2 -2,-0.2 0.878 115.4 46.8 -53.0 -41.4 -6.7 -3.4 -0.6 62 62 A D H >< S+ 0 0 54 -4,-2.9 3,-0.5 -5,-0.2 -1,-0.2 0.906 109.8 55.3 -69.3 -39.7 -3.5 -4.0 -2.5 63 63 A G H >X S+ 0 0 0 -4,-2.3 3,-2.8 1,-0.2 4,-0.6 0.942 102.3 53.6 -58.7 -49.5 -1.4 -3.3 0.5 64 64 A M H 3< S+ 0 0 20 -4,-2.6 3,-0.4 1,-0.3 -1,-0.2 0.770 106.6 52.7 -67.2 -19.2 -3.0 -5.9 2.8 65 65 A A T << S+ 0 0 92 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.292 97.2 73.2 -89.7 12.6 -2.4 -8.6 0.2 66 66 A S T <4 S- 0 0 19 -3,-2.8 4,-0.4 -5,-0.1 -2,-0.2 0.688 93.5-141.9 -98.9 -18.0 1.3 -7.5 0.2 67 67 A G ><> - 0 0 16 -4,-0.6 5,-2.2 -3,-0.4 3,-1.7 0.200 33.3 -70.4 81.9 160.5 2.2 -9.0 3.6 68 68 A L G > 5S+ 0 0 58 1,-0.3 3,-1.5 3,-0.2 -1,-0.2 0.780 126.0 74.1 -56.1 -27.4 4.4 -7.7 6.5 69 69 A D G 3 5S+ 0 0 118 1,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.836 106.1 31.6 -52.4 -38.9 7.2 -8.5 4.1 70 70 A K G X 5S- 0 0 100 -3,-1.7 3,-1.2 -4,-0.4 -1,-0.3 -0.023 116.8-104.7-115.8 27.5 6.4 -5.4 2.0 71 71 A D T < 5 - 0 0 43 -3,-1.5 42,-0.2 1,-0.3 -3,-0.2 0.719 68.1 -72.4 58.4 21.3 5.1 -3.2 4.8 72 72 A Y T 3 - 0 0 71 -15,-0.4 3,-1.2 -2,-0.3 -11,-0.1 -0.444 46.2-106.2 -63.1 125.5 2.3 -2.7 -3.0 75 75 A P T 3 S+ 0 0 68 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.264 97.9 0.4 -56.3 130.0 5.9 -2.3 -4.2 76 76 A D T 3 S- 0 0 161 1,-0.2 2,-0.5 -3,-0.1 -2,-0.1 0.907 83.9-173.1 58.1 42.6 6.4 0.7 -6.5 77 77 A D X - 0 0 13 -3,-1.2 3,-1.0 1,-0.2 -1,-0.2 -0.574 15.8-157.9 -68.2 116.7 2.7 1.6 -6.3 78 78 A S T 3 S+ 0 0 125 -2,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.543 90.2 64.4 -79.0 -3.6 2.3 4.4 -8.8 79 79 A R T 3 S+ 0 0 58 -24,-0.1 2,-0.6 -28,-0.0 -27,-0.5 0.628 84.7 85.1 -86.3 -19.2 -0.8 5.4 -6.9 80 80 A V E < -E 51 0C 21 -3,-1.0 -29,-0.2 1,-0.2 3,-0.1 -0.740 54.6-174.5 -84.5 118.9 1.2 6.3 -3.8 81 81 A I E S- 0 0 37 -31,-2.5 2,-0.3 -2,-0.6 -30,-0.2 0.756 73.9 -12.3 -86.6 -20.7 2.6 9.8 -4.0 82 82 A A E +E 50 0C 9 -32,-1.3 -32,-3.4 15,-0.1 -1,-0.3 -0.959 66.4 176.7-168.7 157.2 4.5 9.3 -0.8 83 83 A H E -E 49 0C 90 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.2 -0.974 21.9-134.4-163.6 151.3 4.8 6.9 2.1 84 84 A T - 0 0 1 -36,-1.8 11,-0.1 -2,-0.3 2,-0.1 -0.603 41.0 -98.0 -97.6 167.8 6.7 6.1 5.3 85 85 A K - 0 0 129 -2,-0.2 2,-0.4 9,-0.2 -37,-0.3 -0.384 47.6 -92.4 -74.3 169.1 7.8 2.6 6.1 86 86 A L - 0 0 4 -39,-0.1 2,-0.3 -18,-0.1 -39,-0.2 -0.698 52.3-175.7 -82.4 129.2 5.7 0.6 8.5 87 87 A I B -H 46 0D 5 -41,-2.9 -41,-2.9 -2,-0.4 2,-0.2 -0.828 17.1-145.9-124.5 164.1 6.8 0.9 12.1 88 88 A G > - 0 0 1 -2,-0.3 3,-1.7 -43,-0.2 -53,-0.1 -0.563 51.9 -51.6-113.6-179.6 5.9 -0.5 15.5 89 89 A S T 3 S+ 0 0 31 -50,-1.9 -1,-0.2 1,-0.3 -48,-0.1 -0.214 126.1 23.9 -56.7 146.0 5.9 1.1 19.0 90 90 A G T 3 S+ 0 0 80 -55,-2.4 -1,-0.3 1,-0.3 2,-0.2 0.404 105.2 110.6 78.6 -1.8 9.1 2.9 20.0 91 91 A E < - 0 0 80 -3,-1.7 -56,-1.5 -56,-0.5 2,-0.3 -0.539 47.0-167.4-104.3 170.4 9.9 3.3 16.3 92 92 A K E +B 34 0A 164 -58,-0.2 2,-0.3 -2,-0.2 -58,-0.2 -0.997 7.9 174.8-152.9 151.1 10.0 6.4 14.0 93 93 A D E -B 33 0A 32 -60,-3.3 -60,-3.2 -2,-0.3 2,-0.3 -0.950 9.1-161.4-161.8 147.1 10.2 7.3 10.4 94 94 A S E -B 32 0A 53 -2,-0.3 2,-0.3 -62,-0.2 -62,-0.2 -0.831 2.6-166.7-118.6 156.5 10.0 10.4 8.2 95 95 A V E -B 31 0A 30 -64,-1.7 -64,-2.4 -2,-0.3 2,-0.4 -0.980 5.9-156.6-143.8 139.1 9.3 10.9 4.5 96 96 A T E -B 30 0A 76 -2,-0.3 2,-0.3 -66,-0.2 -66,-0.2 -0.900 16.1-179.9-112.3 142.8 9.9 14.0 2.4 97 97 A F E -B 29 0A 7 -68,-2.6 -68,-3.1 -2,-0.4 2,-0.4 -0.974 33.1 -98.7-143.1 160.2 8.1 14.7 -0.9 98 98 A D E > -B 28 0A 63 -2,-0.3 3,-2.1 -70,-0.2 -70,-0.2 -0.595 19.3-150.4 -71.3 116.5 7.8 17.3 -3.7 99 99 A V G > S+ 0 0 10 -72,-1.8 3,-2.5 -2,-0.4 -1,-0.1 0.786 95.6 73.8 -60.2 -25.6 4.9 19.7 -3.3 100 100 A S G 3 S+ 0 0 98 -73,-0.6 -1,-0.3 1,-0.3 -72,-0.1 0.706 83.8 66.7 -60.3 -21.0 4.9 19.8 -7.1 101 101 A K G < S+ 0 0 125 -3,-2.1 2,-0.6 -20,-0.1 -1,-0.3 0.590 88.5 83.3 -77.0 -10.8 3.4 16.3 -6.9 102 102 A L < - 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