==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 06-SEP-97 1NWP . 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) . 12034.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 66.4 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 . 52 20.3 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 . 21 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 8.6 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 2 0 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 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 1 1 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 88 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.7 33.0 28.1 -13.6 2 2 A E + 0 0 150 1,-0.1 21,-0.5 24,-0.0 24,-0.1 -0.921 360.0 171.5 -93.1 118.6 29.5 28.2 -12.1 3 3 A a + 0 0 40 -2,-0.6 27,-2.3 19,-0.1 2,-0.3 -0.083 49.2 71.7-124.9 35.0 30.0 29.2 -8.4 4 4 A K E +a 30 0A 98 25,-0.2 2,-0.3 92,-0.0 27,-0.2 -0.989 48.7 178.8-149.0 146.5 26.4 29.8 -7.3 5 5 A V E -a 31 0A 47 25,-2.0 27,-2.5 -2,-0.3 2,-0.4 -0.978 18.9-140.3-146.9 150.4 23.4 27.7 -6.5 6 6 A T E -a 32 0A 69 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.976 16.8-170.9-113.1 133.1 19.9 28.3 -5.3 7 7 A V E -a 33 0A 0 25,-2.8 27,-2.5 -2,-0.4 2,-0.3 -0.975 9.0-150.4-124.0 132.9 18.2 26.0 -2.8 8 8 A D E -a 34 0A 34 -2,-0.4 8,-1.7 25,-0.2 2,-0.3 -0.777 5.8-159.2-101.1 151.0 14.5 26.2 -1.8 9 9 A S E -aB 35 15A 0 25,-1.3 27,-2.2 -2,-0.3 2,-0.2 -0.945 14.5-151.5-132.5 151.4 13.1 25.2 1.6 10 10 A T > - 0 0 14 4,-1.7 3,-1.2 -2,-0.3 4,-0.2 -0.686 34.0-111.5-125.3 167.9 9.5 24.3 2.3 11 11 A D T 3 S+ 0 0 29 1,-0.2 26,-0.1 -2,-0.2 -1,-0.1 0.640 115.6 67.4 -66.4 -18.0 6.5 24.2 4.7 12 12 A Q T 3 S- 0 0 147 2,-0.1 -1,-0.2 32,-0.0 3,-0.1 0.224 118.3-111.0 -88.8 10.9 7.1 20.4 4.5 13 13 A M S < S+ 0 0 3 -3,-1.2 2,-0.3 1,-0.2 -2,-0.1 0.941 76.8 117.6 58.7 58.0 10.4 20.7 6.2 14 14 A S - 0 0 41 -4,-0.2 -4,-1.7 107,-0.1 2,-0.3 -0.971 60.0-133.3-148.9 149.7 12.6 19.8 3.2 15 15 A F B -B 9 0A 20 -2,-0.3 -6,-0.2 105,-0.3 107,-0.1 -0.737 28.2-126.5 -90.3 156.6 15.2 21.3 1.0 16 16 A N S S+ 0 0 102 -8,-1.7 2,-0.3 -2,-0.3 -7,-0.1 0.176 90.9 47.9 -94.4 15.3 14.6 20.8 -2.7 17 17 A T - 0 0 46 -9,-0.2 -2,-0.2 1,-0.1 3,-0.1 -0.980 56.2-161.7-142.9 157.1 18.1 19.2 -3.2 18 18 A K S S+ 0 0 169 -2,-0.3 106,-2.4 1,-0.2 2,-0.3 0.422 80.8 43.1-109.6 -4.9 20.1 16.5 -1.4 19 19 A D E -d 124 0B 61 104,-0.2 2,-0.5 90,-0.1 106,-0.2 -0.999 57.2-160.3-146.4 137.2 23.5 17.6 -2.8 20 20 A I E -d 125 0B 1 104,-2.1 106,-2.3 -2,-0.3 2,-0.6 -0.969 17.1-155.5-116.7 113.6 25.4 20.8 -3.5 21 21 A A E -d 126 0B 40 -2,-0.5 2,-0.5 104,-0.2 106,-0.2 -0.792 8.7-166.2 -96.1 120.4 28.1 20.4 -6.0 22 22 A I E -d 127 0B 0 104,-2.9 106,-2.9 -2,-0.6 2,-0.5 -0.941 19.0-130.4-111.7 122.9 30.9 23.0 -5.7 23 23 A D > - 0 0 27 -2,-0.5 3,-1.9 -21,-0.5 76,-0.1 -0.612 9.9-145.6 -70.6 123.1 33.5 23.4 -8.4 24 24 A K T 3 S+ 0 0 128 104,-2.8 -1,-0.2 -2,-0.5 78,-0.0 0.730 97.0 68.5 -60.9 -24.1 37.0 23.4 -6.9 25 25 A S T 3 S+ 0 0 100 103,-0.2 -1,-0.3 74,-0.0 2,-0.1 0.706 79.3 100.7 -68.0 -21.8 38.0 25.9 -9.5 26 26 A a < - 0 0 8 -3,-1.9 3,-0.1 1,-0.2 73,-0.1 -0.432 60.2-158.5 -65.4 134.9 35.8 28.5 -7.8 27 27 A K S S+ 0 0 140 1,-0.2 72,-2.2 -2,-0.1 73,-0.5 0.911 83.9 13.0 -74.9 -46.5 37.5 31.0 -5.6 28 28 A T E S- C 0 98A 58 70,-0.3 2,-0.4 71,-0.1 -1,-0.2 -0.888 71.2-150.0-124.6 157.3 34.3 31.7 -3.8 29 29 A F E - C 0 97A 3 68,-2.4 68,-2.3 -2,-0.3 2,-0.5 -0.988 7.3-154.1-127.6 140.1 30.9 29.9 -3.7 30 30 A T E -aC 4 96A 28 -27,-2.3 -25,-2.0 -2,-0.4 2,-0.5 -0.967 5.7-168.9-118.4 124.3 27.5 31.5 -3.2 31 31 A V E -aC 5 95A 0 64,-2.6 64,-2.3 -2,-0.5 2,-0.4 -0.949 5.1-165.4-110.0 120.3 24.5 29.6 -1.8 32 32 A E E -aC 6 94A 39 -27,-2.5 -25,-2.8 -2,-0.5 2,-0.4 -0.901 5.9-160.0-102.0 136.6 21.1 31.4 -2.0 33 33 A L E -aC 7 93A 0 60,-3.3 60,-1.8 -2,-0.4 2,-0.3 -0.974 8.3-175.3-117.9 132.0 18.3 30.0 0.1 34 34 A T E -aC 8 92A 28 -27,-2.5 -25,-1.3 -2,-0.4 2,-0.4 -0.775 15.7-144.5-118.4 165.2 14.6 30.6 -0.5 35 35 A H E -a 9 0A 6 56,-1.1 55,-2.8 -2,-0.3 -25,-0.2 -0.930 16.0-170.9-133.9 106.7 11.5 29.6 1.4 36 36 A S + 0 0 49 -27,-2.2 3,-0.2 -2,-0.4 2,-0.1 -0.354 50.0 45.5 -85.3 174.0 8.3 28.8 -0.5 37 37 A G S S- 0 0 50 1,-0.1 53,-0.1 -27,-0.1 -2,-0.1 -0.434 90.3 -84.0 86.7-161.3 5.0 28.2 1.2 38 38 A S S S+ 0 0 97 51,-0.1 -1,-0.1 -2,-0.1 -28,-0.0 0.431 74.5 118.5-136.0 -2.0 3.3 30.4 3.9 39 39 A L - 0 0 43 -3,-0.2 50,-2.1 5,-0.1 2,-0.0 -0.533 60.9-119.5 -78.6 135.4 4.5 29.5 7.4 40 40 A P >> - 0 0 67 0, 0.0 4,-2.5 0, 0.0 3,-2.2 -0.307 27.5-104.7 -69.8 160.4 6.3 32.2 9.4 41 41 A K H 3> S+ 0 0 81 1,-0.3 4,-1.3 2,-0.2 46,-0.1 0.718 116.9 59.5 -64.2 -26.7 9.9 31.8 10.7 42 42 A N H 34 S+ 0 0 56 2,-0.2 -1,-0.3 1,-0.2 207,-0.1 0.695 117.8 33.1 -77.9 -11.0 9.0 31.1 14.3 43 43 A V H <4 S+ 0 0 8 -3,-2.2 -2,-0.2 205,-0.1 -1,-0.2 0.804 142.8 4.2-103.8 -44.1 7.0 28.0 13.1 44 44 A M H < S+ 0 0 7 -4,-2.5 -3,-0.2 2,-0.0 -2,-0.2 -0.237 81.7 156.9-144.5 45.5 8.9 26.8 10.1 45 45 A G < - 0 0 0 -4,-1.3 2,-0.4 -5,-0.2 43,-0.2 -0.444 19.3-166.4 -75.1 148.5 12.0 28.8 9.7 46 46 A H B +H 87 0C 0 41,-2.2 41,-2.9 -2,-0.1 2,-0.3 -0.994 13.3 177.8-134.5 142.0 15.0 27.4 7.9 47 47 A N - 0 0 0 -2,-0.4 2,-0.4 39,-0.3 67,-0.1 -0.767 25.5-128.5-120.8 179.0 18.6 28.3 7.5 48 48 A L - 0 0 1 -2,-0.3 36,-1.8 37,-0.2 2,-0.4 -0.995 26.0-177.1-130.3 122.8 21.3 26.5 5.5 49 49 A V E -EF 83 111B 0 62,-2.6 62,-1.9 -2,-0.4 2,-0.4 -0.975 12.3-152.4-122.7 138.8 24.6 25.7 7.3 50 50 A I E +EF 82 110B 1 32,-3.0 31,-2.7 -2,-0.4 32,-1.0 -0.918 32.9 132.2-112.5 131.0 27.7 24.1 5.9 51 51 A S E -EF 80 109B 0 58,-2.1 58,-2.9 -2,-0.4 29,-0.1 -0.949 62.1 -59.5-154.9 177.4 30.1 22.0 8.0 52 52 A K E >> - F 0 108B 88 27,-0.5 3,-1.9 -2,-0.3 4,-0.6 -0.472 55.5-116.8 -58.8 143.2 32.0 18.8 8.2 53 53 A E G >4 S+ 0 0 84 54,-2.5 3,-1.2 1,-0.3 4,-0.4 0.882 114.6 53.4 -53.9 -40.6 29.5 15.9 8.0 54 54 A A G 34 S+ 0 0 86 53,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.666 106.4 54.6 -70.3 -17.0 30.5 14.7 11.5 55 55 A D G <> S+ 0 0 36 -3,-1.9 4,-2.5 1,-0.1 5,-0.3 0.563 80.2 91.5 -95.7 -8.9 29.9 18.2 13.0 56 56 A M H S+ 0 0 100 -4,-0.4 4,-2.8 1,-0.2 5,-0.2 0.914 114.6 51.1 -67.0 -45.6 24.5 17.4 14.8 58 58 A P H > S+ 0 0 51 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.918 111.9 49.0 -55.3 -42.7 26.9 18.8 17.5 59 59 A I H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 15,-0.3 0.927 112.0 48.7 -60.6 -44.9 26.5 22.3 15.9 60 60 A A H X S+ 0 0 7 -4,-2.2 4,-0.8 -5,-0.3 -1,-0.2 0.901 111.4 49.0 -64.0 -41.1 22.7 21.9 15.8 61 61 A T H >< S+ 0 0 70 -4,-2.8 3,-0.9 1,-0.2 4,-0.5 0.931 112.4 48.0 -66.4 -41.4 22.6 20.8 19.5 62 62 A D H >< S+ 0 0 61 -4,-2.5 3,-0.6 1,-0.2 4,-0.4 0.830 105.6 61.3 -66.6 -26.4 24.8 23.8 20.5 63 63 A G H >X S+ 0 0 0 -4,-1.8 4,-1.1 1,-0.2 3,-0.9 0.713 83.2 79.5 -75.6 -19.7 22.6 26.1 18.4 64 64 A L T << S+ 0 0 23 -3,-0.9 3,-0.5 -4,-0.8 -1,-0.2 0.888 95.1 45.7 -55.2 -43.3 19.5 25.4 20.5 65 65 A S T <4 S+ 0 0 90 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.684 100.8 69.0 -78.5 -14.6 20.5 27.7 23.3 66 66 A A T <4 S- 0 0 23 -3,-0.9 4,-0.3 -4,-0.4 -1,-0.2 0.833 94.0-149.1 -73.6 -34.5 21.6 30.5 20.9 67 67 A G ><> - 0 0 21 -4,-1.1 5,-2.5 -3,-0.5 3,-1.4 0.036 30.0 -67.6 87.0 165.1 18.0 31.2 19.8 68 68 A I G > 5S+ 0 0 51 1,-0.3 3,-1.7 3,-0.2 18,-0.3 0.814 126.8 64.8 -65.8 -25.8 16.3 32.4 16.6 69 69 A D G 3 5S+ 0 0 143 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.737 106.6 42.9 -69.4 -24.2 17.9 35.8 17.1 70 70 A K G X 5S- 0 0 114 -3,-1.4 3,-1.0 -4,-0.3 -1,-0.3 0.068 122.5-106.1-105.2 20.4 21.4 34.3 16.6 71 71 A Q T < 5 - 0 0 33 -3,-1.7 -3,-0.2 1,-0.2 42,-0.2 0.703 63.2 -74.5 62.0 26.1 20.2 32.1 13.7 72 72 A Y T 3 - 0 0 94 -2,-0.4 3,-1.7 -15,-0.3 -11,-0.1 -0.449 46.2-102.5 -64.9 133.6 26.4 29.4 18.8 75 75 A D T 3 S+ 0 0 134 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 -0.386 103.1 8.4 -61.2 131.5 28.3 32.6 18.2 76 76 A G T 3 S+ 0 0 67 1,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.673 78.7 169.8 70.8 19.3 31.8 31.9 17.0 77 77 A D X - 0 0 14 -3,-1.7 3,-1.4 1,-0.2 -1,-0.2 -0.514 22.1-158.2 -60.5 110.7 31.3 28.2 16.5 78 78 A A T 3 S+ 0 0 98 -2,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.617 83.6 69.6 -72.1 -13.6 34.5 27.4 14.6 79 79 A R T 3 S+ 0 0 70 -24,-0.1 -27,-0.5 -28,-0.1 2,-0.5 0.577 79.2 92.8 -78.5 -12.6 33.0 24.2 13.1 80 80 A V E < -E 51 0B 25 -3,-1.4 -29,-0.2 1,-0.2 3,-0.1 -0.754 50.0-178.0 -87.2 122.5 30.7 26.3 10.9 81 81 A I E - 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