==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 12-JAN-09 3FSW . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.J.BANFIELD . 506 5 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22210.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 63.0 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 . 100 19.8 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 . 31 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 0 0 4 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 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 . 8 4 2 4 2 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 0 142 0, 0.0 21,-0.3 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 133.3 -5.2 -10.0 0.1 2 3 A a + 0 0 50 19,-0.1 27,-2.1 22,-0.0 2,-0.3 -0.408 360.0 78.1-124.9 48.6 -1.7 -10.1 1.7 3 4 A S E -a 29 0A 30 25,-0.2 2,-0.3 92,-0.0 27,-0.2 -0.941 54.5-152.9-147.7 166.7 0.0 -7.4 -0.3 4 5 A V E -a 30 0A 31 25,-1.8 27,-2.7 -2,-0.3 2,-0.5 -0.987 11.7-141.2-143.6 146.0 0.4 -3.6 -0.6 5 6 A D E +a 31 0A 27 -2,-0.3 2,-0.4 228,-0.2 27,-0.2 -0.935 26.7 175.9-106.5 125.6 1.3 -1.3 -3.5 6 7 A I E -a 32 0A 0 25,-1.9 27,-1.5 -2,-0.5 2,-0.4 -0.977 13.7-157.6-134.0 141.1 3.5 1.6 -2.6 7 8 A Q E -a 33 0A 26 -2,-0.4 8,-1.1 25,-0.2 2,-0.4 -0.951 5.4-163.1-118.0 138.4 5.1 4.3 -4.7 8 9 A G B -C 14 0B 1 25,-1.9 28,-0.4 -2,-0.4 6,-0.2 -0.997 26.6-171.4-114.0 129.2 8.2 6.5 -4.0 9 10 A N > - 0 0 42 4,-1.7 3,-1.0 -2,-0.4 4,-0.3 -0.342 39.0 -85.6-116.9-172.0 8.2 9.5 -6.3 10 11 A D T 3 S+ 0 0 25 1,-0.3 34,-0.0 2,-0.1 24,-0.0 0.651 117.9 64.5 -75.9 -17.1 10.4 12.5 -7.4 11 12 A Q T 3 S- 0 0 120 2,-0.1 -1,-0.3 32,-0.0 32,-0.0 0.019 118.0-105.9 -93.8 26.6 9.2 14.7 -4.5 12 13 A M S < S+ 0 0 56 -3,-1.0 2,-0.4 1,-0.2 -2,-0.1 0.934 78.0 130.3 52.1 56.8 10.8 12.4 -1.9 13 14 A Q - 0 0 107 -4,-0.3 -4,-1.7 107,-0.1 2,-0.2 -1.000 52.3-146.7-142.6 134.9 7.5 10.9 -0.8 14 15 A F B -C 8 0B 25 -2,-0.4 -6,-0.2 105,-0.3 107,-0.1 -0.651 28.1-127.5 -83.2 158.3 5.8 7.5 -0.2 15 16 A N S S+ 0 0 74 -8,-1.1 2,-0.3 -2,-0.2 -7,-0.1 0.162 89.1 37.3 -96.4 17.5 2.1 7.4 -1.0 16 17 A T - 0 0 46 -9,-0.2 -2,-0.1 105,-0.0 105,-0.1 -0.965 51.4-166.1-153.2 157.8 1.2 6.0 2.4 17 18 A N S S+ 0 0 62 -2,-0.3 106,-1.7 1,-0.2 2,-0.3 0.223 79.8 48.3-125.7 12.8 2.4 6.4 6.0 18 19 A A E -d 123 0C 30 104,-0.2 2,-0.4 359,-0.0 -1,-0.2 -0.866 60.0-172.1-154.6 116.9 0.7 3.3 7.6 19 20 A I E -d 124 0C 4 104,-3.1 106,-1.9 -2,-0.3 2,-0.4 -0.887 8.6-157.1-106.9 140.9 0.7 -0.2 6.4 20 21 A T E -d 125 0C 85 -2,-0.4 2,-0.5 104,-0.2 106,-0.2 -0.970 0.1-159.4-119.4 133.5 -1.5 -3.0 7.9 21 22 A V E -d 126 0C 0 104,-2.3 106,-2.1 -2,-0.4 2,-0.4 -0.956 23.1-126.2-111.1 118.0 -0.6 -6.6 7.6 22 23 A D > - 0 0 81 -2,-0.5 3,-2.3 -21,-0.3 104,-0.1 -0.548 19.0-139.6 -63.5 121.9 -3.5 -9.1 8.2 23 24 A K T 3 S+ 0 0 97 104,-2.0 -1,-0.2 -2,-0.4 103,-0.1 0.413 96.7 66.1 -72.1 2.7 -2.1 -11.4 10.9 24 25 A S T 3 S+ 0 0 99 103,-0.3 -1,-0.3 3,-0.0 2,-0.3 0.383 76.9 105.0-100.3 0.9 -3.7 -14.4 9.2 25 26 A a < - 0 0 11 -3,-2.3 73,-0.1 1,-0.2 3,-0.1 -0.626 59.3-155.6 -75.7 137.7 -1.4 -14.1 6.1 26 27 A K S S+ 0 0 86 -2,-0.3 72,-2.3 1,-0.2 73,-0.5 0.893 84.1 13.6 -74.6 -43.1 1.5 -16.7 6.0 27 28 A Q E - B 0 97A 104 70,-0.3 2,-0.4 71,-0.1 70,-0.2 -0.900 69.1-154.9-128.1 158.3 3.4 -14.2 3.8 28 29 A F E - B 0 96A 5 68,-2.4 68,-2.0 -2,-0.3 2,-0.4 -0.999 8.3-153.5-138.4 136.1 3.1 -10.6 2.9 29 30 A T E -aB 3 95A 33 -27,-2.1 -25,-1.8 -2,-0.4 2,-0.5 -0.902 4.7-160.9-114.8 132.5 4.3 -8.8 -0.2 30 31 A V E -aB 4 94A 0 64,-3.2 64,-2.6 -2,-0.4 2,-0.8 -0.963 8.8-159.9-110.1 122.5 5.3 -5.1 -0.7 31 32 A N E -aB 5 93A 39 -27,-2.7 -25,-1.9 -2,-0.5 2,-0.3 -0.839 12.1-169.6-104.7 93.7 5.3 -4.0 -4.3 32 33 A L E +aB 6 92A 1 60,-2.3 60,-2.1 -2,-0.8 2,-0.3 -0.648 9.0 172.2 -86.3 139.9 7.5 -0.8 -4.6 33 34 A S E -aB 7 91A 12 -27,-1.5 -25,-1.9 -2,-0.3 58,-0.2 -0.973 26.3-137.6-144.7 157.7 7.5 1.3 -7.8 34 35 A H - 0 0 0 56,-2.3 55,-1.3 -2,-0.3 56,-0.3 -0.954 14.1-178.3-121.9 107.2 9.0 4.7 -8.9 35 36 A P + 0 0 36 0, 0.0 150,-0.1 0, 0.0 -26,-0.1 0.285 54.0 95.0 -87.0 12.0 6.7 6.9 -11.1 36 37 A G S S- 0 0 6 -28,-0.4 53,-0.3 2,-0.1 149,-0.1 0.005 72.7-125.7 -95.5-165.7 9.3 9.7 -11.5 37 38 A N + 0 0 97 51,-0.1 -1,-0.1 2,-0.1 51,-0.1 0.592 69.5 105.7-109.1 -22.6 12.0 10.9 -13.9 38 39 A L S S- 0 0 60 1,-0.1 50,-1.6 5,-0.1 -2,-0.1 -0.295 72.2-105.5 -78.6 148.3 15.1 11.2 -11.7 39 40 A P >> - 0 0 65 0, 0.0 4,-2.3 0, 0.0 3,-1.5 -0.250 30.2-109.7 -68.2 157.8 18.0 8.8 -11.8 40 41 A K H 3> S+ 0 0 87 1,-0.3 4,-1.7 2,-0.2 46,-0.1 0.834 115.8 57.7 -57.4 -38.0 18.6 6.3 -9.0 41 42 A N H 34 S+ 0 0 98 2,-0.2 -1,-0.3 1,-0.2 26,-0.1 0.716 115.9 34.9 -67.0 -21.7 21.7 8.1 -7.6 42 43 A V H <4 S+ 0 0 71 -3,-1.5 -2,-0.2 1,-0.0 -1,-0.2 0.793 141.3 4.4-103.1 -37.3 19.7 11.4 -7.0 43 44 A M H < S+ 0 0 27 -4,-2.3 -3,-0.2 2,-0.0 -2,-0.2 -0.051 85.1 148.1-141.6 34.2 16.1 10.2 -6.0 44 45 A G < - 0 0 2 -4,-1.7 2,-0.3 -5,-0.2 43,-0.2 -0.428 26.4-164.5 -64.7 144.9 16.4 6.4 -5.8 45 46 A H B -H 86 0D 1 41,-2.3 41,-3.7 -37,-0.1 2,-0.3 -0.956 16.7-176.9-132.6 152.0 14.2 4.7 -3.2 46 47 A N - 0 0 0 -2,-0.3 2,-0.5 39,-0.3 67,-0.2 -0.884 26.9-125.4-131.9 169.8 13.9 1.4 -1.4 47 48 A W - 0 0 0 -2,-0.3 36,-2.4 37,-0.2 2,-0.4 -0.992 32.7-177.7-118.3 123.0 11.3 0.1 1.1 48 49 A V E -EF 82 110C 0 62,-1.9 62,-1.5 -2,-0.5 2,-0.4 -0.977 12.5-154.4-129.3 132.7 13.0 -1.2 4.3 49 50 A L E +EF 81 109C 0 32,-3.6 31,-2.2 -2,-0.4 32,-1.0 -0.930 28.6 138.1-112.9 129.2 11.3 -2.8 7.3 50 51 A S E - F 0 108C 0 58,-2.4 58,-2.7 -2,-0.4 2,-0.1 -0.892 54.4 -79.6-145.2 179.5 12.7 -2.8 10.9 51 52 A T E >> - F 0 107C 23 27,-0.4 4,-1.3 -2,-0.3 3,-0.7 -0.469 42.7-114.1 -73.2 156.1 11.6 -2.3 14.5 52 53 A A G >4 S+ 0 0 1 54,-2.5 3,-0.6 1,-0.2 4,-0.5 0.914 119.7 61.4 -55.4 -37.2 11.1 1.2 15.7 53 54 A A G 34 S+ 0 0 45 53,-0.4 -1,-0.2 1,-0.2 4,-0.2 0.835 111.5 34.8 -58.8 -36.4 14.1 0.4 18.0 54 55 A D G <> S+ 0 0 52 -3,-0.7 4,-2.5 24,-0.1 -1,-0.2 0.536 89.5 98.0 -97.0 -8.1 16.4 -0.2 15.0 55 56 A M H S+ 0 0 37 -4,-0.5 4,-2.9 1,-0.2 -1,-0.2 0.841 114.4 54.3 -62.5 -34.7 17.7 5.2 12.9 57 58 A G H > S+ 0 0 23 -4,-0.2 4,-2.5 2,-0.2 5,-0.3 0.916 110.5 46.5 -65.4 -42.2 20.6 2.7 13.4 58 59 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 15,-0.3 0.925 114.6 47.2 -63.7 -46.6 19.8 1.1 10.0 59 60 A V H X S+ 0 0 9 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.894 114.2 47.9 -60.7 -41.3 19.4 4.6 8.4 60 61 A T H X S+ 0 0 75 -4,-2.9 4,-1.1 2,-0.2 -2,-0.2 0.918 117.1 39.1 -70.8 -47.0 22.7 5.8 9.9 61 62 A D H X S+ 0 0 60 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.838 112.5 59.8 -71.3 -33.9 24.8 2.8 9.0 62 63 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.3 10,-0.2 0.900 103.1 50.5 -56.8 -44.7 23.0 2.6 5.6 63 64 A M H < S+ 0 0 96 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.821 109.4 52.0 -65.0 -33.5 24.2 6.2 4.8 64 65 A A H < S+ 0 0 87 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.922 108.5 49.9 -64.1 -47.8 27.7 5.1 5.7 65 66 A S H < S- 0 0 33 -4,-2.4 3,-0.2 1,-0.1 -2,-0.2 0.871 102.3-173.2 -60.4 -40.9 27.4 2.1 3.3 66 67 A G ><> - 0 0 15 -4,-2.2 5,-2.8 1,-0.2 3,-1.7 -0.048 36.8 -38.3 82.3-175.8 26.2 4.4 0.6 67 68 A L G > 5S+ 0 0 55 1,-0.3 3,-2.2 3,-0.2 -1,-0.2 0.860 126.3 63.0 -56.6 -40.1 24.8 4.2 -2.9 68 69 A D G 3 5S+ 0 0 157 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.627 109.9 41.0 -69.1 -11.6 27.0 1.3 -3.9 69 70 A K G X 5S- 0 0 112 -3,-1.7 3,-0.7 -7,-0.2 -1,-0.3 0.089 121.3-102.8-115.3 18.8 25.4 -0.9 -1.2 70 71 A D T < 5 - 0 0 47 -3,-2.2 -3,-0.2 1,-0.2 42,-0.2 0.775 69.0 -70.4 61.6 29.9 21.9 0.3 -1.8 71 72 A Y T 3 - 0 0 56 -2,-0.3 3,-1.1 -15,-0.3 -11,-0.1 -0.437 52.4-105.4 -50.6 124.0 24.8 -2.2 5.8 74 75 A P T 3 S+ 0 0 70 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.377 97.8 7.1 -65.8 143.9 25.2 -5.6 4.1 75 76 A D T 3 S+ 0 0 170 1,-0.2 2,-0.7 -3,-0.1 -2,-0.1 0.839 82.9 177.5 51.8 40.5 23.7 -8.5 6.0 76 77 A D X - 0 0 20 -3,-1.1 3,-1.2 1,-0.2 -1,-0.2 -0.624 20.4-159.6 -73.0 112.1 22.1 -6.2 8.6 77 78 A S T 3 S+ 0 0 119 -2,-0.7 -1,-0.2 1,-0.2 -2,-0.1 0.631 86.9 67.6 -68.8 -13.4 20.2 -8.6 10.9 78 79 A R T 3 S+ 0 0 58 -24,-0.1 2,-0.8 -28,-0.1 -27,-0.4 0.658 80.3 87.3 -78.0 -20.2 18.0 -5.6 12.0 79 80 A V < - 0 0 20 -3,-1.2 -29,-0.2 1,-0.2 3,-0.1 -0.754 56.0-176.1 -83.5 107.8 16.4 -5.3 8.5 80 81 A I S S- 0 0 51 -31,-2.2 2,-0.3 -2,-0.8 -1,-0.2 0.920 70.4 -9.3 -70.0 -42.9 13.5 -7.7 8.6 81 82 A A E +E 49 0C 6 -32,-1.0 -32,-3.6 15,-0.1 2,-0.3 -0.988 67.2 173.3-155.5 144.1 12.7 -7.1 4.9 82 83 A H E -E 48 0C 85 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.2 -0.985 22.1-136.5-154.8 149.8 13.8 -4.7 2.1 83 84 A T - 0 0 1 -36,-2.4 2,-0.1 -2,-0.3 11,-0.1 -0.505 41.7 -92.8 -87.6 168.6 13.4 -4.1 -1.6 84 85 A K - 0 0 134 -2,-0.2 2,-0.4 9,-0.1 -37,-0.2 -0.390 50.6 -91.8 -68.9 160.5 16.3 -3.2 -3.8 85 86 A L - 0 0 4 -39,-0.1 2,-0.4 -18,-0.1 -39,-0.3 -0.644 52.5-164.3 -71.2 130.3 17.0 0.5 -4.4 86 87 A I B -H 45 0D 4 -41,-3.7 -41,-2.3 -2,-0.4 2,-0.1 -0.963 11.8-163.7-127.4 144.0 15.0 1.6 -7.5 87 88 A G > - 0 0 1 -2,-0.4 3,-1.6 1,-0.2 -53,-0.2 -0.327 50.9 -37.8-105.4-171.5 15.2 4.6 -9.8 88 89 A S T 3 S+ 0 0 43 -50,-1.6 -1,-0.2 1,-0.2 -48,-0.1 -0.153 126.8 16.6 -50.3 138.2 12.8 6.1 -12.3 89 90 A G T 3 S+ 0 0 37 -55,-1.3 -1,-0.2 -53,-0.3 2,-0.2 0.529 106.1 111.0 78.6 7.7 10.9 3.6 -14.4 90 91 A E < - 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