==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT(COPPER BINDING) 27-MAY-94 1AZN . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR L.-C.TSAI,L.SJOLIN,V.LANGER,T.PASCHER,H.NAR . 512 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24030.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 16.4 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 . 2 0.4 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 . 67 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 11.9 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 2 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 2 3 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 . 14 0 0 7 1 1 1 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 3 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 0 102 0, 0.0 3,-1.1 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0-171.6 0.3 76.6 46.0 2 2 A E T 3 + 0 0 174 1,-0.6 3,-0.1 3,-0.0 0, 0.0 -0.762 360.0 0.4 -90.6 118.0 -0.2 79.8 48.0 3 3 A C T 3 S+ 0 0 43 -2,-0.6 -1,-0.6 1,-0.2 27,-0.6 0.942 124.4 124.9 106.0 -24.9 0.4 79.5 51.8 4 4 A S E < +a 30 0A 22 -3,-1.1 2,-0.4 17,-0.2 -1,-0.2 -0.846 46.1 159.3-170.7 131.9 1.2 76.1 50.8 5 5 A V E -a 31 0A 13 25,-1.2 27,-2.8 -2,-0.5 2,-0.6 -0.960 15.9-162.6-122.6 135.5 3.3 73.0 50.5 6 6 A D E -a 32 0A 80 -2,-0.4 2,-0.2 25,-0.2 27,-0.2 -0.951 28.3-164.6-106.9 112.4 2.0 69.5 49.8 7 7 A I E -a 33 0A 0 25,-1.4 27,-2.8 -2,-0.6 2,-0.5 -0.512 9.2-133.3 -91.9 160.0 5.2 67.5 51.0 8 8 A Q E -a 34 0A 15 -2,-0.2 8,-2.0 25,-0.2 2,-0.8 -0.950 13.8-167.5-120.2 116.1 5.7 63.8 50.1 9 9 A G B -C 15 0B 0 25,-1.3 6,-0.2 -2,-0.5 37,-0.1 -0.867 23.0-179.5-101.8 96.3 6.8 61.1 52.4 10 10 A N - 0 0 9 4,-1.4 4,-0.2 -2,-0.8 3,-0.1 -0.160 39.3 -93.3 -85.1-174.8 7.7 58.0 50.3 11 11 A D S S+ 0 0 12 263,-0.4 2,-0.7 1,-0.2 26,-0.1 0.604 110.8 61.4 -72.6 -26.3 8.9 54.5 51.2 12 12 A Q S S- 0 0 22 252,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.721 120.7 -91.4-108.2 69.4 12.7 54.9 51.1 13 13 A M S S+ 0 0 1 -2,-0.7 2,-0.4 -3,-0.1 -2,-0.1 0.671 84.9 135.5 14.0 56.9 13.0 57.6 53.8 14 14 A Q - 0 0 46 -4,-0.2 -4,-1.4 107,-0.1 2,-0.2 -0.813 41.6-162.0-129.1 102.0 12.8 60.5 51.3 15 15 A F B -C 9 0B 8 -2,-0.4 -6,-0.2 105,-0.2 107,-0.1 -0.585 39.1-114.8 -68.2 141.7 10.5 63.5 52.1 16 16 A N S S+ 0 0 34 -8,-2.0 2,-0.3 -2,-0.2 -1,-0.1 0.720 90.0 34.4 -51.9 -31.8 10.2 65.1 48.5 17 17 A T - 0 0 41 -9,-0.1 105,-0.2 242,-0.1 -2,-0.2 -0.741 47.8-158.1-133.6 172.9 12.0 68.2 49.7 18 18 A N S S+ 0 0 73 -2,-0.3 106,-1.9 1,-0.2 2,-0.3 0.225 86.1 48.7-123.9 0.9 14.7 69.6 51.8 19 19 A A E +d 124 0C 44 104,-0.3 2,-0.4 90,-0.0 -1,-0.2 -0.913 49.6 179.3-163.9 128.9 13.1 73.3 51.9 20 20 A I E -d 125 0C 3 104,-2.8 106,-2.2 -2,-0.3 2,-0.4 -0.984 17.3-150.3-127.8 134.0 9.7 74.9 52.5 21 21 A T E -d 126 0C 66 -2,-0.4 2,-0.4 104,-0.2 106,-0.2 -0.862 4.9-163.8-112.9 144.7 9.1 78.7 52.3 22 22 A V - 0 0 0 104,-1.9 106,-0.2 -2,-0.4 4,-0.2 -0.796 20.8-136.8-127.5 89.3 6.4 80.5 54.3 23 23 A D - 0 0 71 -2,-0.4 3,-0.2 104,-0.2 104,-0.1 -0.115 13.1-128.6 -53.7 135.7 5.7 84.0 52.9 24 24 A K S S+ 0 0 138 104,-2.6 2,-1.9 1,-0.3 -1,-0.1 0.774 99.0 85.9 -49.7 -31.7 5.4 86.8 55.5 25 25 A S S S+ 0 0 104 103,-0.2 2,-0.4 2,-0.1 -1,-0.3 -0.077 80.7 82.9 -66.0 34.8 2.1 87.7 53.8 26 26 A C - 0 0 18 -2,-1.9 3,-0.1 -3,-0.2 -23,-0.0 -0.999 52.2-170.4-146.3 144.4 0.4 85.0 56.0 27 27 A K S S+ 0 0 169 -2,-0.4 73,-0.9 1,-0.3 2,-0.3 0.583 89.7 28.4 -95.6 -26.3 -1.1 84.8 59.4 28 28 A Q - 0 0 122 70,-0.3 -1,-0.3 71,-0.2 70,-0.3 -0.996 64.3-161.4-143.8 146.7 -1.4 81.1 58.9 29 29 A F E - B 0 97A 2 68,-3.8 68,-3.1 -2,-0.3 2,-0.3 -0.752 7.8-155.2-123.1 165.5 0.3 78.3 56.9 30 30 A T E -aB 4 96A 47 -27,-0.6 -25,-1.2 66,-0.3 2,-0.5 -0.988 3.3-156.0-149.5 130.4 -0.9 74.8 56.0 31 31 A V E -aB 5 95A 0 64,-3.9 64,-1.2 -2,-0.3 2,-0.7 -0.943 5.4-150.7-117.4 130.4 1.1 71.6 55.2 32 32 A N E -aB 6 94A 34 -27,-2.8 -25,-1.4 -2,-0.5 2,-1.0 -0.817 9.1-167.0-104.7 109.8 -0.0 68.7 53.1 33 33 A L E +aB 7 93A 0 60,-1.8 60,-0.9 -2,-0.7 -25,-0.2 -0.761 12.8 175.6 -95.2 93.8 1.5 65.3 54.1 34 34 A S E -a 8 0A 28 -27,-2.8 -25,-1.3 -2,-1.0 58,-0.1 -0.287 18.9-147.5 -84.9 177.1 0.9 62.7 51.4 35 35 A H - 0 0 5 55,-0.3 55,-1.7 -27,-0.2 -25,-0.1 -0.445 9.7-171.6-151.3 78.3 2.3 59.2 51.6 36 36 A P + 0 0 9 0, 0.0 3,-0.1 0, 0.0 239,-0.1 -0.434 51.3 81.3 -64.6 136.7 3.2 57.4 48.3 37 37 A G S S- 0 0 23 -27,-0.1 53,-0.8 1,-0.1 237,-0.1 0.026 74.9-120.4 127.9 134.9 4.1 53.8 49.3 38 38 A N S S+ 0 0 97 51,-0.2 51,-0.2 52,-0.1 -1,-0.1 0.343 76.6 112.5 -77.3 1.8 2.6 50.4 50.1 39 39 A L - 0 0 44 49,-0.1 5,-0.3 5,-0.1 51,-0.1 -0.764 64.1-122.7 -96.9 117.4 4.2 50.4 53.6 40 40 A P >> - 0 0 50 0, 0.0 4,-1.4 0, 0.0 3,-0.9 0.311 26.9-100.7 -40.3 162.4 2.2 50.6 56.8 41 41 A K H 3> S+ 0 0 63 1,-0.3 4,-2.2 2,-0.2 46,-0.1 0.953 120.9 47.7 -48.2 -71.6 2.5 53.1 59.7 42 42 A N H 34 S+ 0 0 103 2,-0.2 -1,-0.3 1,-0.1 206,-0.2 0.565 116.9 46.8 -42.0 -31.1 4.5 50.9 62.1 43 43 A V H <4 S- 0 0 39 -3,-0.9 -2,-0.2 204,-0.1 205,-0.1 0.876 137.0 -6.1 -77.9 -85.7 6.8 50.0 59.2 44 44 A M H < S+ 0 0 0 -4,-1.4 -2,-0.2 -5,-0.3 -3,-0.2 -0.358 82.0 174.4-118.0 45.2 7.7 53.3 57.5 45 45 A G < - 0 0 3 -4,-2.2 2,-0.3 -5,-0.2 69,-0.2 -0.030 12.3-155.7 -54.1 147.0 5.6 56.0 59.2 46 46 A H B +G 87 0D 0 41,-1.0 41,-1.6 -37,-0.1 2,-0.3 -0.823 16.7 165.9-125.1 156.4 5.9 59.7 58.4 47 47 A N - 0 0 0 -2,-0.3 2,-0.3 39,-0.2 39,-0.1 -0.809 30.5-127.7-149.2-175.6 5.1 62.9 60.3 48 48 A W + 0 0 0 -2,-0.3 36,-2.1 36,-0.2 2,-0.3 -0.820 28.1 178.9-149.6 107.6 6.0 66.6 59.9 49 49 A V E -E 111 0C 0 62,-1.6 62,-1.6 -2,-0.3 2,-0.4 -0.818 10.1-158.2-115.7 146.1 7.4 68.2 63.0 50 50 A L E +E 110 0C 0 32,-0.5 31,-2.9 -2,-0.3 32,-0.8 -0.996 28.8 126.7-133.7 130.6 8.5 71.9 63.1 51 51 A S E -E 109 0C 0 58,-1.8 58,-3.8 -2,-0.4 29,-0.1 -0.972 61.5 -69.1-167.0 172.8 10.9 73.5 65.5 52 52 A T E >> -E 108 0C 22 27,-0.4 4,-1.3 -2,-0.3 3,-0.9 -0.327 50.0-113.8 -63.6 163.1 14.1 75.6 65.8 53 53 A A H 3> S+ 0 0 37 54,-2.9 4,-0.5 1,-0.2 -1,-0.1 0.746 115.9 66.9 -68.2 -19.6 17.2 73.7 64.6 54 54 A A H 34 S+ 0 0 85 53,-0.4 -1,-0.2 1,-0.2 4,-0.2 0.787 104.9 35.7 -67.1 -38.9 18.2 74.0 68.3 55 55 A D H X> S+ 0 0 60 -3,-0.9 4,-1.7 24,-0.1 3,-1.1 0.694 88.7 97.5 -94.1 -22.9 15.5 71.8 69.7 56 56 A M H >X S+ 0 0 27 -4,-1.3 4,-3.0 1,-0.3 3,-1.5 0.772 84.7 51.0 -25.4 -66.2 15.4 69.2 66.8 57 57 A Q H 3X S+ 0 0 137 -4,-0.5 4,-2.4 1,-0.3 -1,-0.3 0.808 110.3 46.9 -43.0 -55.2 17.6 66.9 68.7 58 58 A G H <> S+ 0 0 22 -3,-1.1 4,-2.5 -4,-0.2 -1,-0.3 0.751 117.2 46.2 -60.2 -30.9 15.5 67.0 71.9 59 59 A V H < S+ 0 0 0 -4,-2.3 3,-3.2 -5,-0.2 4,-0.5 0.975 104.6 48.9 -52.2 -67.1 9.6 61.7 70.2 64 64 A M H >< S+ 0 0 65 -4,-2.9 3,-1.3 1,-0.3 -2,-0.2 0.893 107.0 56.8 -38.7 -56.0 11.3 58.4 69.5 65 65 A A T 3< S+ 0 0 85 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.347 99.5 67.0 -62.0 3.6 11.1 57.4 73.1 66 66 A S T < S- 0 0 43 -3,-3.2 -1,-0.3 -5,-0.2 -2,-0.2 0.619 93.7-122.8-108.9 -17.0 7.3 57.9 73.0 67 67 A G X > - 0 0 19 -3,-1.3 3,-1.6 -4,-0.5 5,-1.3 0.356 24.6 -83.7 90.9 146.9 5.7 55.2 70.7 68 68 A L G > 5S+ 0 0 42 1,-0.3 3,-0.7 3,-0.2 -1,-0.1 0.622 123.8 65.1 -56.2 -20.5 3.6 54.8 67.6 69 69 A D G 3 5S+ 0 0 138 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.014 110.1 38.6 -93.1 24.7 0.6 55.2 69.8 70 70 A K G X 5S- 0 0 107 -3,-1.6 3,-2.4 -7,-0.0 -1,-0.2 -0.123 114.9-112.3-161.9 31.8 1.8 58.7 70.4 71 71 A D T < 5 - 0 0 40 -3,-0.7 42,-0.2 1,-0.3 -3,-0.2 0.716 65.5 -74.8 26.7 43.5 3.0 59.5 66.8 72 72 A Y T 3 - 0 0 18 -3,-0.4 3,-3.2 1,-0.2 -1,-0.2 -0.610 10.0-164.8 -84.9 98.9 5.9 69.2 73.4 78 78 A S T 3 S+ 0 0 114 -2,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.507 86.6 61.7 -49.6 -18.9 6.5 72.9 73.8 79 79 A R T 3 S+ 0 0 43 -24,-0.1 2,-0.5 -28,-0.1 -27,-0.4 0.743 85.9 89.4 -82.1 -25.9 9.4 72.8 71.4 80 80 A V < - 0 0 26 -3,-3.2 -29,-0.2 1,-0.2 3,-0.2 -0.600 53.4-176.3 -79.4 114.6 7.0 71.7 68.7 81 81 A I S S- 0 0 35 -31,-2.9 2,-0.2 -2,-0.5 -1,-0.2 0.698 74.1 -17.4 -81.9 -24.3 5.6 74.7 66.9 82 82 A A - 0 0 11 -32,-0.8 -32,-0.5 15,-0.1 -1,-0.3 -0.700 65.7-177.4 176.5 132.8 3.4 72.5 64.8 83 83 A H - 0 0 80 -2,-0.2 -34,-0.2 -34,-0.2 13,-0.1 -0.998 17.1-142.7-140.7 147.9 3.1 68.8 63.8 84 84 A T - 0 0 0 -36,-2.1 -36,-0.2 -2,-0.3 2,-0.1 -0.126 39.9 -95.4 -85.6-169.9 0.9 66.5 61.6 85 85 A K - 0 0 100 -38,-0.1 2,-0.6 9,-0.1 -1,-0.2 -0.371 45.6 -86.1 -95.5 178.9 0.1 62.9 62.8 86 86 A L - 0 0 3 -18,-0.1 2,-0.5 -2,-0.1 -39,-0.2 -0.886 47.7-150.8 -99.2 114.4 1.9 59.8 61.8 87 87 A I B -G 46 0D 0 -41,-1.6 -41,-1.0 -2,-0.6 3,-0.1 -0.760 7.9-156.5 -99.4 128.0 0.7 58.4 58.5 88 88 A G - 0 0 2 -2,-0.5 3,-0.3 1,-0.2 2,-0.1 0.293 58.8 -30.5 -71.5-160.0 0.6 54.8 57.3 89 89 A S S S- 0 0 54 1,-0.2 2,-0.4 -51,-0.2 -1,-0.2 -0.463 130.0 -16.2 -66.5 129.9 0.5 53.6 53.7 90 90 A G S S+ 0 0 57 -55,-1.7 -55,-0.3 -53,-0.8 -1,-0.2 0.212 100.8 138.0 58.1 -8.6 -1.2 56.1 51.5 91 91 A E - 0 0 100 -2,-0.4 2,-0.3 -3,-0.3 -56,-0.2 0.108 37.5-151.1 -56.1 170.9 -2.8 57.9 54.5 92 92 A K + 0 0 117 -58,-0.1 2,-0.3 -3,-0.1 -58,-0.2 -0.977 20.8 162.5-151.3 154.3 -2.9 61.7 54.6 93 93 A D E -B 33 0A 33 -60,-0.9 -60,-1.8 -2,-0.3 2,-0.3 -0.862 14.8-155.0-171.2 148.0 -3.0 64.4 57.3 94 94 A S E -B 32 0A 39 -2,-0.3 2,-0.4 -62,-0.2 -62,-0.2 -0.798 6.2-149.3-126.9 164.6 -2.3 68.1 57.4 95 95 A V E -B 31 0A 22 -64,-1.2 -64,-3.9 -2,-0.3 2,-0.4 -0.977 6.0-166.6-137.1 144.4 -1.3 70.9 59.8 96 96 A T E +B 30 0A 92 -2,-0.4 2,-0.3 -66,-0.3 -66,-0.3 -0.985 21.2 173.3-129.3 126.6 -2.4 74.5 59.7 97 97 A F E -B 29 0A 11 -68,-3.1 -68,-3.8 -2,-0.4 2,-0.9 -0.997 38.8 -95.6-145.7 157.5 -0.4 77.0 61.9 98 98 A D > - 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