==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT(COPPER BINDING) 04-AUG-00 1E5Z . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR H.NAR,A.MESSERSCHMIDT . 512 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21528.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 323 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 19.5 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 . 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 . 30 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 10.7 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 1 0 2 0 0 1 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 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 0 107 0, 0.0 3,-2.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-136.2 -10.1 54.0 26.8 2 2 A E T 3 - 0 0 176 1,-0.3 3,-0.1 27,-0.0 0, 0.0 -0.236 360.0 -25.2 -50.1 110.9 -11.6 54.4 23.2 3 3 A a T 3 S+ 0 0 42 1,-0.1 27,-1.9 26,-0.1 2,-0.3 0.693 130.3 78.4 53.8 28.8 -8.6 54.0 20.9 4 4 A S E < -a 30 0A 32 -3,-2.3 2,-0.4 25,-0.2 27,-0.2 -0.988 58.7-158.6-155.3 156.0 -6.2 55.2 23.6 5 5 A V E -a 31 0A 30 25,-2.4 27,-2.6 -2,-0.3 2,-0.5 -0.990 11.0-144.9-141.3 143.7 -4.5 53.8 26.7 6 6 A D E +a 32 0A 103 -2,-0.4 2,-0.3 25,-0.2 27,-0.2 -0.945 27.4 178.7-109.0 130.6 -3.0 55.5 29.6 7 7 A I E -a 33 0A 1 25,-2.9 27,-2.0 -2,-0.5 2,-0.4 -0.981 15.0-153.5-140.5 148.3 0.1 53.8 31.0 8 8 A Q E -a 34 0A 85 -2,-0.3 8,-1.9 25,-0.2 2,-0.4 -0.957 4.9-159.8-125.8 141.9 2.5 54.5 33.8 9 9 A G B -C 15 0B 0 25,-1.9 28,-0.3 -2,-0.4 6,-0.2 -0.975 24.2-164.7-114.8 130.1 6.2 53.6 34.4 10 10 A N > - 0 0 28 4,-1.9 3,-1.3 -2,-0.4 4,-0.3 -0.455 36.4 -91.6-111.2-176.0 7.3 53.7 38.1 11 11 A D T 3 S+ 0 0 17 1,-0.3 363,-0.1 -2,-0.1 24,-0.0 0.444 119.4 63.5 -76.1 -0.6 10.5 53.7 40.2 12 12 A Q T 3 S- 0 0 95 2,-0.2 -1,-0.3 361,-0.1 32,-0.0 0.096 118.3-107.9-105.0 17.7 10.5 49.9 40.4 13 13 A M S < S+ 0 0 2 -3,-1.3 2,-0.4 1,-0.2 -2,-0.1 0.939 76.0 131.4 56.4 51.0 10.9 49.6 36.6 14 14 A Q - 0 0 21 -4,-0.3 -4,-1.9 107,-0.1 2,-0.3 -0.988 50.9-143.9-133.7 141.6 7.4 48.4 36.0 15 15 A F B -C 9 0B 13 -2,-0.4 -6,-0.2 105,-0.3 107,-0.1 -0.763 26.2-125.7 -91.8 152.5 4.7 49.4 33.5 16 16 A N S S+ 0 0 59 -8,-1.9 2,-0.3 -2,-0.3 389,-0.1 0.397 92.7 37.1 -84.1 3.7 1.2 49.2 34.9 17 17 A T - 0 0 45 -9,-0.2 -2,-0.1 387,-0.1 3,-0.1 -0.991 53.4-170.2-145.1 155.9 0.0 47.0 32.0 18 18 A N S S+ 0 0 24 -2,-0.3 106,-2.0 1,-0.3 2,-0.4 0.305 74.8 48.9-126.0 9.6 1.6 44.2 30.1 19 19 A A E -d 124 0C 50 104,-0.2 2,-0.4 384,-0.1 -1,-0.3 -0.952 58.3-172.5-153.0 125.1 -0.9 43.7 27.2 20 20 A I E -d 125 0C 7 104,-2.7 106,-3.0 -2,-0.4 2,-0.4 -0.979 6.1-161.7-119.0 131.5 -2.5 46.3 25.0 21 21 A T E -d 126 0C 73 -2,-0.4 2,-0.4 104,-0.2 106,-0.2 -0.920 2.7-162.0-108.5 137.7 -5.2 45.5 22.5 22 22 A V E -d 127 0C 0 104,-3.3 106,-2.5 -2,-0.4 2,-0.4 -0.962 20.5-128.2-115.2 133.9 -5.9 47.9 19.6 23 23 A D > - 0 0 81 -2,-0.4 3,-1.9 104,-0.2 104,-0.1 -0.701 12.8-128.5 -83.7 137.2 -9.3 47.6 17.9 24 24 A K T 3 S+ 0 0 119 104,-2.3 -1,-0.1 -2,-0.4 103,-0.0 0.758 104.4 62.4 -52.5 -31.7 -9.3 47.2 14.2 25 25 A S T 3 S+ 0 0 75 2,-0.0 2,-0.4 74,-0.0 -1,-0.3 0.577 77.9 102.4 -78.3 -1.7 -11.9 50.1 13.7 26 26 A a < - 0 0 8 -3,-1.9 3,-0.1 1,-0.2 73,-0.1 -0.633 59.0-159.4 -76.6 126.3 -9.6 52.7 15.3 27 27 A K S S+ 0 0 172 -2,-0.4 72,-1.8 1,-0.2 73,-0.5 0.803 80.8 4.8 -71.3 -29.9 -8.1 54.8 12.5 28 28 A Q E - B 0 98A 102 70,-0.3 2,-0.4 71,-0.2 70,-0.2 -0.933 69.2-141.5-147.9 166.0 -5.3 55.7 15.0 29 29 A F E - B 0 97A 8 68,-2.2 68,-2.3 -2,-0.3 2,-0.4 -0.997 9.3-153.9-137.3 137.9 -4.3 54.8 18.6 30 30 A T E -aB 4 96A 28 -27,-1.9 -25,-2.4 -2,-0.4 2,-0.5 -0.947 3.4-165.7-116.8 131.5 -2.9 57.0 21.4 31 31 A V E -aB 5 95A 0 64,-2.8 64,-1.8 -2,-0.4 2,-0.6 -0.963 7.2-162.1-112.1 128.7 -0.7 55.9 24.3 32 32 A N E -aB 6 94A 32 -27,-2.6 -25,-2.9 -2,-0.5 2,-0.4 -0.960 11.3-166.6-116.6 109.2 -0.3 58.5 27.1 33 33 A L E +aB 7 93A 0 60,-3.0 60,-2.1 -2,-0.6 2,-0.3 -0.832 9.4 175.8 -97.5 132.0 2.7 57.7 29.3 34 34 A S E -aB 8 92A 34 -27,-2.0 -25,-1.9 -2,-0.4 58,-0.2 -0.915 24.3-142.0-131.0 163.2 3.3 59.2 32.7 35 35 A H + 0 0 3 56,-1.7 55,-2.7 -2,-0.3 56,-0.2 -0.773 16.2 178.3-126.4 93.3 6.0 58.7 35.4 36 36 A P + 0 0 76 0, 0.0 -26,-0.1 0, 0.0 2,-0.1 0.168 53.3 98.9 -80.3 23.9 4.5 58.9 38.9 37 37 A G S S- 0 0 7 -28,-0.3 53,-0.4 2,-0.1 -2,-0.1 -0.382 72.9-130.6-102.7-175.8 7.9 58.2 40.5 38 38 A N S S+ 0 0 142 51,-0.1 -1,-0.1 -2,-0.1 -28,-0.0 0.398 70.7 104.9-114.1 2.3 10.5 60.6 42.1 39 39 A L S S- 0 0 19 5,-0.1 50,-1.7 1,-0.1 -2,-0.1 -0.604 70.4-112.4 -86.8 145.3 13.6 59.4 40.4 40 40 A P >> - 0 0 62 0, 0.0 4,-2.7 0, 0.0 3,-1.6 -0.301 27.0-104.0 -70.0 159.9 15.3 61.4 37.5 41 41 A K H 3> S+ 0 0 80 1,-0.3 4,-1.4 2,-0.2 46,-0.1 0.824 116.2 58.5 -53.1 -42.4 15.6 60.4 33.9 42 42 A N H 34 S+ 0 0 41 1,-0.2 -1,-0.3 2,-0.2 26,-0.0 0.781 119.6 31.7 -66.8 -16.2 19.3 59.4 34.0 43 43 A V H <4 S+ 0 0 1 -3,-1.6 -2,-0.2 1,-0.1 -1,-0.2 0.781 142.8 5.0-105.8 -38.5 18.4 56.8 36.6 44 44 A M H < S+ 0 0 0 -4,-2.7 2,-0.3 2,-0.1 -2,-0.2 -0.279 77.8 157.7-147.5 44.6 14.9 55.7 35.9 45 45 A G < - 0 0 0 -4,-1.4 2,-0.3 -5,-0.1 43,-0.2 -0.655 22.6-163.0 -74.7 138.8 13.9 57.3 32.6 46 46 A H B +H 87 0D 1 41,-2.3 41,-2.6 -2,-0.3 2,-0.3 -0.889 15.2 171.7-123.2 148.4 11.1 55.4 30.8 47 47 A N - 0 0 0 -2,-0.3 2,-0.5 39,-0.2 67,-0.1 -0.907 28.8-127.9-143.0 169.5 9.8 55.5 27.3 48 48 A W + 0 0 0 -2,-0.3 36,-1.7 37,-0.2 2,-0.4 -0.993 30.2 178.0-123.8 118.9 7.3 53.4 25.4 49 49 A V E -EF 83 111C 0 62,-2.3 62,-2.0 -2,-0.5 2,-0.4 -0.973 11.8-156.2-125.3 136.4 8.6 52.0 22.1 50 50 A L E +EF 82 110C 0 32,-2.6 31,-2.5 -2,-0.4 32,-0.9 -0.960 27.2 138.7-117.7 134.6 6.7 49.7 19.7 51 51 A S E - F 0 109C 0 58,-1.9 58,-2.4 -2,-0.4 29,-0.1 -0.895 58.4 -74.7-149.0 178.0 8.1 47.3 17.2 52 52 A T E > - F 0 108C 16 27,-0.4 4,-1.1 -2,-0.3 3,-0.4 -0.425 47.8-111.5 -69.8 161.4 7.4 43.8 16.0 53 53 A A T 4 S+ 0 0 4 54,-2.8 4,-0.5 1,-0.2 3,-0.4 0.892 119.4 58.2 -65.6 -34.0 8.5 41.1 18.4 54 54 A A T 4 S+ 0 0 45 53,-0.4 4,-0.3 1,-0.2 132,-0.3 0.845 109.4 42.5 -62.9 -32.8 11.1 40.1 15.9 55 55 A D T > S+ 0 0 55 -3,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.575 86.6 92.8 -91.1 -10.9 12.7 43.6 15.8 56 56 A M H X S+ 0 0 30 -4,-1.1 4,-2.6 -3,-0.4 5,-0.2 0.895 84.1 50.7 -52.5 -50.0 12.7 44.4 19.5 57 57 A Q H > S+ 0 0 14 -4,-0.5 4,-3.0 1,-0.2 5,-0.2 0.894 111.4 47.7 -60.4 -43.5 16.2 43.1 20.3 58 58 A G H > S+ 0 0 5 -4,-0.3 4,-2.7 2,-0.2 5,-0.3 0.936 113.1 49.0 -60.2 -45.1 17.8 45.1 17.5 59 59 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 15,-0.3 0.903 113.8 46.6 -60.5 -43.5 15.9 48.2 18.6 60 60 A V H X S+ 0 0 10 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.936 114.0 46.2 -65.4 -50.8 17.1 47.6 22.2 61 61 A T H X S+ 0 0 33 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.952 117.6 42.5 -59.5 -49.2 20.8 47.0 21.4 62 62 A D H < S+ 0 0 33 -4,-2.7 4,-0.3 -5,-0.2 -1,-0.2 0.854 112.4 55.6 -70.5 -24.9 21.1 49.9 19.0 63 63 A G H >X S+ 0 0 0 -4,-1.8 3,-1.7 -5,-0.3 4,-0.7 0.920 103.7 53.4 -67.1 -43.7 19.1 52.1 21.4 64 64 A M H >< S+ 0 0 29 -4,-2.2 3,-0.7 1,-0.3 -1,-0.2 0.886 108.6 50.9 -54.0 -44.7 21.6 51.4 24.2 65 65 A A T 3< S+ 0 0 86 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.508 95.1 72.0 -75.0 -10.1 24.4 52.5 22.0 66 66 A S T <4 S- 0 0 27 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.751 97.6-131.2 -82.0 -21.3 22.7 55.8 21.0 67 67 A G X<> - 0 0 19 -3,-0.7 5,-2.1 -4,-0.7 3,-1.1 -0.062 24.5 -71.9 96.3 166.8 23.3 57.4 24.5 68 68 A L G > 5S+ 0 0 49 1,-0.3 3,-2.1 3,-0.2 -1,-0.1 0.894 127.3 58.8 -65.6 -39.6 21.2 59.3 27.0 69 69 A D G 3 5S+ 0 0 126 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.657 105.1 50.6 -67.7 -15.5 21.0 62.4 24.9 70 70 A K G X 5S- 0 0 95 -3,-1.1 3,-1.3 -7,-0.1 -1,-0.3 0.149 117.1-112.8-101.3 13.1 19.3 60.3 22.1 71 71 A D T < 5 - 0 0 40 -3,-2.1 -3,-0.2 1,-0.3 42,-0.2 0.821 62.6 -74.9 56.7 34.1 16.7 58.9 24.6 72 72 A Y T 3 - 0 0 77 -2,-0.4 3,-1.4 -15,-0.3 -11,-0.1 -0.506 46.8-102.6 -65.2 129.8 18.7 55.0 17.3 75 75 A P T 3 S- 0 0 74 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.380 100.3 -2.9 -59.6 129.7 17.7 58.2 15.3 76 76 A D T 3 S- 0 0 168 1,-0.2 2,-0.5 2,-0.1 -2,-0.0 0.835 83.7-174.1 50.6 44.4 15.1 57.3 12.6 77 77 A D X - 0 0 12 -3,-1.4 3,-1.3 1,-0.2 -1,-0.2 -0.561 17.7-149.4 -69.5 118.5 15.2 53.6 13.4 78 78 A S T 3 S+ 0 0 114 -2,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.688 91.1 62.0 -65.2 -24.0 13.1 52.1 10.7 79 79 A R T 3 S+ 0 0 53 -24,-0.1 2,-0.7 -28,-0.1 -27,-0.4 0.665 81.0 94.3 -79.0 -15.0 11.9 49.3 13.0 80 80 A V < - 0 0 24 -3,-1.3 -29,-0.2 1,-0.2 3,-0.1 -0.693 50.5-175.1 -84.8 116.0 10.2 51.6 15.5 81 81 A I S S- 0 0 34 -31,-2.5 2,-0.3 -2,-0.7 -1,-0.2 0.891 71.0 -16.4 -75.8 -40.5 6.5 51.9 14.7 82 82 A A E +E 50 0C 8 -32,-0.9 -32,-2.6 15,-0.1 -1,-0.3 -0.972 68.1 171.6-162.5 150.0 5.9 54.6 17.4 83 83 A H E -E 49 0C 85 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.2 -0.989 22.9-134.3-157.4 158.3 7.6 55.8 20.5 84 84 A T - 0 0 0 -36,-1.7 2,-0.2 -2,-0.3 11,-0.1 -0.494 39.0 -96.8-100.0 176.5 7.6 58.5 23.2 85 85 A K - 0 0 110 -2,-0.2 2,-0.4 9,-0.1 -37,-0.2 -0.436 50.7 -87.1 -79.3 172.0 10.6 60.5 24.4 86 86 A L - 0 0 5 -2,-0.2 2,-0.3 -18,-0.1 -39,-0.2 -0.709 53.6-167.4 -86.9 126.5 12.4 59.3 27.5 87 87 A I B -H 46 0D 7 -41,-2.6 -41,-2.3 -2,-0.4 2,-0.1 -0.913 9.1-160.2-121.9 149.5 10.7 60.9 30.6 88 88 A G > - 0 0 2 -2,-0.3 3,-2.1 1,-0.2 -53,-0.2 -0.367 51.1 -27.3-108.8-174.4 11.7 61.2 34.2 89 89 A S T 3 S+ 0 0 46 -50,-1.7 -1,-0.2 1,-0.3 -51,-0.1 -0.098 127.7 2.4 -37.5 127.0 9.8 61.8 37.4 90 90 A G T 3 S+ 0 0 69 -55,-2.7 -1,-0.3 -53,-0.4 2,-0.1 0.510 102.8 122.7 69.8 7.5 6.6 63.8 37.1 91 91 A E < - 0 0 89 -3,-2.1 -56,-1.7 -56,-0.2 2,-0.3 -0.412 41.3-161.5 -97.4 174.9 6.8 64.1 33.3 92 92 A K E +B 34 0A 106 -58,-0.2 2,-0.3 -2,-0.1 -58,-0.2 -0.991 10.9 172.8-154.2 145.1 4.4 63.0 30.6 93 93 A D E -B 33 0A 29 -60,-2.1 -60,-3.0 -2,-0.3 2,-0.3 -0.981 9.8-160.1-155.2 157.9 4.3 62.2 26.9 94 94 A S E -B 32 0A 52 -2,-0.3 2,-0.4 -62,-0.2 -62,-0.2 -0.934 2.1-163.1-137.7 154.8 1.9 60.8 24.3 95 95 A V E -B 31 0A 23 -64,-1.8 -64,-2.8 -2,-0.3 2,-0.4 -0.993 1.2-166.1-142.6 134.1 2.2 59.2 20.9 96 96 A T E +B 30 0A 69 -2,-0.4 2,-0.3 -66,-0.2 -66,-0.2 -0.990 17.4 176.9-115.3 129.5 -0.6 58.8 18.4 97 97 A F E -B 29 0A 7 -68,-2.3 -68,-2.2 -2,-0.4 2,-0.3 -0.960 34.5 -96.9-133.8 157.7 0.1 56.4 15.4 98 98 A D E > -B 28 0A 76 -2,-0.3 3,-1.8 -70,-0.2 -70,-0.3 -0.538 19.6-144.7 -73.4 129.6 -1.9 55.1 12.5 99 99 A V G > S+ 0 0 13 -72,-1.8 3,-2.0 -2,-0.3 -71,-0.2 0.750 94.7 76.6 -71.0 -15.2 -3.4 51.7 13.0 100 100 A S G 3 S+ 0 0 99 -73,-0.5 -1,-0.3 1,-0.3 -72,-0.1 0.651 81.5 70.9 -66.6 -13.3 -2.7 51.0 9.2 101 101 A K G < S+ 0 0 122 -3,-1.8 2,-0.3 2,-0.0 -1,-0.3 0.557 91.1 69.0 -78.7 -4.7 0.9 50.4 10.3 102 102 A L < - 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