==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 06-SEP-97 1NWO . COMPND 2 MOLECULE: AZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR F.S.MATHEWS,Z.-W.CHEN . 256 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11973.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 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 . 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 . 19 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 14.8 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 1 0 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 0 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 PARALLEL BRIDGES PER LADDER . 4 2 0 4 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 74 0, 0.0 2,-0.8 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0-130.7 35.5 29.4 -12.3 2 2 A E + 0 0 157 1,-0.1 21,-0.5 24,-0.0 24,-0.1 -0.900 360.0 172.7 -93.7 102.7 31.8 29.3 -11.4 3 3 A a + 0 0 35 -2,-0.8 27,-1.5 19,-0.1 2,-0.3 -0.215 45.0 62.0-115.1 44.1 32.2 30.2 -7.7 4 4 A K E -a 30 0A 109 25,-0.2 2,-0.3 92,-0.0 27,-0.2 -0.975 52.1-170.5-161.5 153.1 28.6 30.6 -6.5 5 5 A V E -a 31 0A 44 25,-1.8 27,-3.1 -2,-0.3 2,-0.5 -0.983 15.1-142.1-147.7 154.3 25.5 28.5 -6.0 6 6 A T E -a 32 0A 69 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.989 18.3-172.3-119.5 123.7 21.9 29.1 -5.2 7 7 A V E -a 33 0A 0 25,-2.9 27,-2.4 -2,-0.5 2,-0.3 -0.962 10.2-148.4-115.9 134.9 20.1 26.6 -3.0 8 8 A D E -a 34 0A 33 -2,-0.4 8,-1.6 25,-0.2 2,-0.3 -0.821 6.1-158.5 -99.1 149.2 16.4 26.7 -2.3 9 9 A S E -aB 35 15A 0 25,-1.8 27,-2.3 -2,-0.3 2,-0.2 -0.929 13.1-155.0-128.0 151.7 14.7 25.6 0.9 10 10 A T > - 0 0 16 4,-1.7 3,-1.0 -2,-0.3 4,-0.3 -0.674 33.6-112.5-125.0 168.7 11.0 24.6 1.3 11 11 A D T 3 S+ 0 0 26 1,-0.2 26,-0.1 -2,-0.2 -1,-0.0 0.622 114.3 68.0 -71.4 -15.7 8.0 24.3 3.6 12 12 A Q T 3 S- 0 0 155 2,-0.1 -1,-0.2 32,-0.0 25,-0.0 0.099 119.6-108.7 -92.6 19.0 8.4 20.5 3.1 13 13 A M S < S+ 0 0 7 -3,-1.0 2,-0.3 1,-0.2 -2,-0.1 0.933 76.6 119.9 54.2 62.5 11.7 20.7 5.0 14 14 A S - 0 0 39 -4,-0.3 -4,-1.7 107,-0.1 2,-0.3 -0.986 56.7-137.4-148.0 148.4 14.1 20.1 2.1 15 15 A F B -B 9 0A 21 -2,-0.3 -6,-0.2 105,-0.3 107,-0.1 -0.699 28.2-126.7 -87.5 161.9 17.0 21.7 0.3 16 16 A N S S+ 0 0 103 -8,-1.6 2,-0.3 -2,-0.3 -7,-0.1 0.300 89.3 49.0 -96.0 10.8 16.8 21.5 -3.5 17 17 A T - 0 0 43 -9,-0.2 -2,-0.2 1,-0.1 3,-0.1 -0.965 56.4-161.2-140.9 160.2 20.3 20.0 -3.8 18 18 A K S S+ 0 0 171 -2,-0.3 106,-2.4 1,-0.3 2,-0.3 0.423 79.4 36.6-119.6 -0.2 22.2 17.2 -2.1 19 19 A D E -d 124 0B 56 104,-0.3 2,-0.6 90,-0.1 -1,-0.3 -0.987 58.5-153.4-153.8 135.3 25.7 18.3 -2.9 20 20 A I E -d 125 0B 2 104,-2.5 106,-2.5 -2,-0.3 2,-0.5 -0.957 18.7-156.6-108.4 109.3 27.6 21.6 -3.3 21 21 A A E -d 126 0B 46 -2,-0.6 2,-0.5 104,-0.2 106,-0.2 -0.772 7.3-162.5 -84.7 129.3 30.5 21.2 -5.7 22 22 A I E -d 127 0B 0 104,-3.4 106,-3.2 -2,-0.5 2,-0.4 -0.965 13.9-133.9-119.4 123.0 33.2 23.7 -5.2 23 23 A D > - 0 0 38 -2,-0.5 3,-2.7 -21,-0.5 76,-0.1 -0.635 9.8-138.0 -78.5 127.9 35.8 24.4 -7.9 24 24 A K T 3 S+ 0 0 164 104,-1.6 -1,-0.1 -2,-0.4 103,-0.0 0.640 102.3 67.5 -58.0 -21.9 39.4 24.5 -6.6 25 25 A S T 3 S+ 0 0 73 -23,-0.1 2,-0.7 2,-0.0 -1,-0.3 0.654 79.5 98.9 -69.2 -22.4 40.0 27.5 -8.9 26 26 A a < - 0 0 3 -3,-2.7 73,-0.1 1,-0.2 3,-0.1 -0.641 52.1-174.3 -69.9 110.3 37.6 29.4 -6.7 27 27 A K S S+ 0 0 173 -2,-0.7 72,-0.8 1,-0.1 73,-0.5 0.672 81.5 20.8 -76.4 -16.0 39.7 31.5 -4.2 28 28 A T E S- C 0 98A 36 70,-0.2 2,-0.4 71,-0.1 70,-0.2 -0.964 74.6-150.7-148.3 149.8 36.3 32.3 -2.6 29 29 A F E - C 0 97A 2 68,-2.7 68,-2.4 -2,-0.3 2,-0.5 -0.998 2.9-156.9-128.7 143.4 32.9 30.7 -2.7 30 30 A T E -aC 4 96A 24 -27,-1.5 -25,-1.8 -2,-0.4 2,-0.5 -0.960 3.8-168.3-124.2 122.5 29.4 32.2 -2.4 31 31 A V E -aC 5 95A 0 64,-2.7 64,-1.9 -2,-0.5 2,-0.4 -0.967 6.3-163.0-111.4 119.4 26.3 30.3 -1.3 32 32 A E E -aC 6 94A 40 -27,-3.1 -25,-2.9 -2,-0.5 2,-0.4 -0.882 5.3-161.9 -99.8 134.7 22.9 31.9 -1.8 33 33 A L E +aC 7 93A 0 60,-3.2 60,-2.0 -2,-0.4 2,-0.3 -0.980 9.8 179.0-117.8 132.0 20.0 30.5 0.1 34 34 A T E -aC 8 92A 21 -27,-2.4 -25,-1.8 -2,-0.4 2,-0.4 -0.847 17.3-144.7-123.5 161.2 16.4 31.2 -0.7 35 35 A H E -a 9 0A 9 56,-1.1 55,-2.0 -2,-0.3 -25,-0.2 -0.976 14.5-170.9-129.8 117.6 13.1 30.0 0.8 36 36 A S + 0 0 53 -27,-2.3 3,-0.2 -2,-0.4 2,-0.1 -0.490 50.1 49.1 -95.9 174.4 10.0 29.3 -1.3 37 37 A G S S- 0 0 48 -2,-0.2 53,-0.2 1,-0.1 -2,-0.1 -0.420 90.8 -85.6 84.1-169.2 6.6 28.6 0.1 38 38 A S S S+ 0 0 102 51,-0.1 -1,-0.1 -2,-0.1 -28,-0.0 0.381 75.0 121.6-128.7 1.8 4.8 30.6 2.7 39 39 A L - 0 0 41 -3,-0.2 50,-2.3 5,-0.1 102,-0.0 -0.506 59.7-122.1 -78.8 129.8 5.8 29.5 6.2 40 40 A P >> - 0 0 62 0, 0.0 4,-2.4 0, 0.0 3,-1.5 -0.230 28.4-103.1 -66.5 166.0 7.3 32.2 8.5 41 41 A K H 3> S+ 0 0 83 1,-0.3 4,-1.1 2,-0.2 46,-0.1 0.784 115.7 61.8 -68.0 -23.8 10.8 31.7 9.9 42 42 A N H 34 S+ 0 0 57 2,-0.2 -1,-0.3 1,-0.2 207,-0.2 0.647 115.9 30.4 -83.2 -6.4 9.6 30.7 13.4 43 43 A V H <4 S+ 0 0 7 -3,-1.5 -2,-0.2 205,-0.1 -1,-0.2 0.750 142.6 7.9-112.0 -33.6 7.8 27.6 12.2 44 44 A M H < S+ 0 0 5 -4,-2.4 2,-0.2 97,-0.1 -2,-0.2 -0.371 82.1 155.3-144.0 49.0 9.9 26.6 9.1 45 45 A G < - 0 0 0 -4,-1.1 2,-0.4 43,-0.1 43,-0.2 -0.553 21.7-162.7 -75.1 154.2 13.0 28.7 9.1 46 46 A H B +H 87 0C 0 41,-2.3 41,-2.7 -2,-0.2 2,-0.3 -0.994 14.4 176.7-137.2 143.3 16.1 27.4 7.4 47 47 A N - 0 0 0 -2,-0.4 2,-0.4 39,-0.2 67,-0.1 -0.758 25.4-129.0-125.0 173.8 19.7 28.3 7.4 48 48 A L - 0 0 1 -2,-0.3 36,-1.9 37,-0.2 2,-0.4 -0.993 24.6-175.4-126.2 125.1 22.6 26.7 5.6 49 49 A V E -EF 83 111B 0 62,-2.7 62,-1.9 -2,-0.4 2,-0.5 -0.979 11.4-153.5-121.5 132.7 25.7 25.7 7.6 50 50 A I E +EF 82 110B 1 32,-2.9 31,-2.9 -2,-0.4 32,-1.1 -0.915 33.9 131.8-106.9 129.6 29.0 24.3 6.3 51 51 A S E - F 0 109B 0 58,-2.1 58,-3.0 -2,-0.5 29,-0.1 -0.942 62.2 -65.3-155.1 173.7 31.2 22.1 8.5 52 52 A K E >> - F 0 108B 75 27,-0.5 3,-1.6 -2,-0.3 4,-0.7 -0.454 52.6-116.4 -60.4 145.9 33.1 18.8 8.6 53 53 A E G >4 S+ 0 0 75 54,-1.9 3,-0.9 1,-0.3 4,-0.4 0.859 114.6 58.2 -56.7 -38.2 30.7 15.9 8.3 54 54 A A G 34 S+ 0 0 79 53,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.743 106.5 49.9 -61.0 -25.1 31.7 14.7 11.8 55 55 A D G <> S+ 0 0 33 -3,-1.6 4,-2.8 1,-0.1 5,-0.2 0.576 82.6 91.0 -96.9 -8.7 30.7 18.0 13.3 56 56 A M H S+ 0 0 102 -4,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.904 115.7 51.0 -67.7 -41.5 25.2 16.8 14.6 58 58 A P H > S+ 0 0 51 0, 0.0 4,-2.1 0, 0.0 -2,-0.2 0.932 111.8 49.0 -63.4 -38.7 27.3 18.2 17.5 59 59 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 15,-0.3 0.962 111.6 48.7 -58.4 -51.9 27.0 21.7 16.0 60 60 A A H X S+ 0 0 8 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.915 109.3 52.6 -57.3 -44.5 23.2 21.3 15.7 61 61 A T H X S+ 0 0 72 -4,-2.7 4,-0.5 1,-0.2 3,-0.2 0.917 112.1 45.4 -60.8 -38.6 22.9 20.0 19.2 62 62 A D H >X S+ 0 0 56 -4,-2.1 4,-0.7 1,-0.2 3,-0.7 0.857 106.8 60.9 -71.9 -31.0 24.8 23.1 20.5 63 63 A G H >X S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.2 4,-1.1 0.855 87.7 73.2 -62.3 -36.0 22.7 25.3 18.3 64 64 A L H 3< S+ 0 0 23 -4,-1.6 3,-0.4 1,-0.3 -1,-0.2 0.855 101.7 41.9 -44.2 -47.6 19.4 24.3 20.1 65 65 A S H << S+ 0 0 68 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.693 101.9 70.3 -76.9 -21.2 20.3 26.3 23.1 66 66 A A H << S- 0 0 24 -3,-1.2 4,-0.3 -4,-0.7 -1,-0.2 0.806 92.9-146.2 -73.2 -28.2 21.6 29.3 21.2 67 67 A G ><> - 0 0 22 -4,-1.1 5,-2.5 -3,-0.4 3,-1.5 0.073 30.2 -68.4 83.4 163.9 18.2 30.4 20.0 68 68 A I G > 5S+ 0 0 51 1,-0.3 3,-1.4 3,-0.2 18,-0.3 0.744 126.2 66.5 -66.8 -21.0 16.9 32.0 16.8 69 69 A D G 3 5S+ 0 0 152 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.758 105.4 44.0 -69.6 -26.8 18.7 35.3 17.6 70 70 A K G X 5S- 0 0 105 -3,-1.5 3,-0.9 -4,-0.3 -1,-0.3 0.120 123.0-107.1 -99.4 16.4 22.0 33.5 17.2 71 71 A Q T < 5 - 0 0 39 -3,-1.4 -3,-0.2 1,-0.2 42,-0.2 0.794 67.0 -70.5 59.1 30.4 20.7 31.7 14.0 72 72 A Y T 3 - 0 0 93 -2,-0.4 3,-1.7 -15,-0.3 -11,-0.1 -0.414 52.9 -98.5 -57.1 130.8 26.5 28.6 19.3 75 75 A D T 3 S+ 0 0 130 1,-0.3 3,-0.1 -2,-0.0 -1,-0.1 -0.386 102.1 2.7 -62.6 134.0 28.2 31.9 19.0 76 76 A G T 3 S- 0 0 72 1,-0.2 -1,-0.3 -2,-0.1 2,-0.1 0.708 84.5-176.3 67.2 21.7 31.8 31.8 17.7 77 77 A D X - 0 0 18 -3,-1.7 3,-1.3 1,-0.2 -1,-0.2 -0.309 18.8-150.7 -57.8 121.1 31.5 28.0 17.2 78 78 A A T 3 S+ 0 0 103 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.652 89.8 62.0 -70.6 -19.2 34.9 26.9 15.9 79 79 A R T 3 S+ 0 0 61 -24,-0.1 2,-0.6 -28,-0.1 -27,-0.5 0.537 81.7 96.3 -83.2 -10.3 33.5 24.0 13.9 80 80 A V < - 0 0 28 -3,-1.3 -29,-0.2 1,-0.2 3,-0.1 -0.749 48.2-175.9 -90.6 116.0 31.4 26.2 11.6 81 81 A I S S- 0 0 39 -31,-2.9 2,-0.3 -2,-0.6 -1,-0.2 0.902 71.0 -27.2 -73.1 -43.0 33.2 27.0 8.3 82 82 A A E -E 50 0B 9 -32,-1.1 -32,-2.9 15,-0.1 -1,-0.3 -0.965 63.0-177.3-167.7 155.1 30.4 29.4 7.1 83 83 A H E -E 49 0B 72 -2,-0.3 -34,-0.2 -34,-0.2 2,-0.2 -0.990 17.8-134.5-158.9 153.0 26.6 29.9 7.6 84 84 A T - 0 0 0 -36,-1.9 2,-0.1 -2,-0.3 11,-0.1 -0.581 39.4 -91.7 -93.5 171.3 23.7 32.0 6.5 85 85 A K - 0 0 113 -2,-0.2 2,-0.5 9,-0.1 -37,-0.2 -0.356 48.4 -92.8 -62.5 162.9 21.1 33.5 8.7 86 86 A V - 0 0 2 -18,-0.3 2,-0.3 -39,-0.1 -39,-0.2 -0.703 53.7-171.0 -77.2 121.4 17.8 31.7 9.5 87 87 A I B -H 46 0C 4 -41,-2.7 -41,-2.3 -2,-0.5 2,-0.2 -0.873 11.9-154.7-117.8 149.6 15.4 32.9 6.8 88 88 A G > - 0 0 0 -2,-0.3 3,-2.2 -43,-0.2 -53,-0.2 -0.586 51.4 -40.5-106.7-174.3 11.7 32.3 6.4 89 89 A A T 3 S+ 0 0 28 -50,-2.3 -1,-0.2 1,-0.3 -53,-0.2 -0.110 127.1 13.3 -49.9 128.0 9.5 32.4 3.4 90 90 A G T 3 S+ 0 0 60 -55,-2.0 -1,-0.3 1,-0.3 2,-0.1 0.165 102.1 111.7 94.0 -16.2 10.3 35.1 0.9 91 91 A E < - 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