==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 17-MAY-97 1RKR . COMPND 2 MOLECULE: AZURIN-I; . SOURCE 2 ORGANISM_SCIENTIFIC: ACHROMOBACTER XYLOSOXIDANS; . AUTHOR C.LI,T.INOUE,M.GOTOWDA,S.SUZUKI,K.YAMAGUCHI,K.KATAOKA,Y.KAI . 516 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25350.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 332 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 101 19.6 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 . 1 0.2 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 . 36 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 10.1 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 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 0 8 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 3 1 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 0 132 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.1 21.1 -12.1 24.1 2 2 A E - 0 0 139 2,-0.2 21,-0.4 1,-0.0 24,-0.1 -0.400 360.0-132.4 -85.9 166.4 22.2 -9.7 21.4 3 3 A a S S+ 0 0 39 -2,-0.1 27,-2.5 19,-0.1 2,-0.3 -0.123 84.9 58.9-112.4 34.5 21.6 -6.0 21.0 4 4 A S E -a 30 0A 39 25,-0.2 2,-0.3 92,-0.1 27,-0.2 -0.961 59.2-163.4-151.0 164.5 20.6 -6.2 17.3 5 5 A V E -a 31 0A 26 25,-1.9 27,-2.7 -2,-0.3 2,-0.3 -0.973 14.3-137.7-150.5 150.8 18.0 -7.9 15.2 6 6 A D E -a 32 0A 70 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.823 23.1-179.9-108.4 137.7 17.7 -8.6 11.5 7 7 A I E -a 33 0A 0 25,-2.4 27,-2.4 -2,-0.3 2,-0.4 -0.971 11.9-153.8-145.0 131.3 14.3 -8.2 9.8 8 8 A A E -a 34 0A 12 -2,-0.4 8,-2.0 25,-0.2 2,-0.4 -0.900 3.2-162.2-105.5 140.5 13.4 -8.8 6.2 9 9 A G B -C 15 0B 0 25,-1.7 6,-0.2 -2,-0.4 2,-0.1 -0.991 25.4-166.9-116.4 128.4 10.6 -7.1 4.3 10 10 A N > - 0 0 48 4,-2.5 3,-0.9 -2,-0.4 27,-0.1 -0.315 35.4 -89.8-113.9-169.7 9.7 -9.0 1.1 11 11 A D T 3 S+ 0 0 44 1,-0.2 26,-0.1 2,-0.1 -1,-0.0 0.707 116.5 64.3 -76.0 -19.4 7.8 -8.8 -2.1 12 12 A G T 3 S- 0 0 53 2,-0.1 -1,-0.2 32,-0.0 3,-0.1 0.078 119.0-108.2 -88.7 26.8 4.5 -10.2 -0.7 13 13 A M S < S+ 0 0 46 -3,-0.9 2,-0.3 1,-0.2 -2,-0.1 0.815 79.5 124.6 49.3 47.0 4.4 -7.1 1.5 14 14 A Q - 0 0 108 107,-0.1 -4,-2.5 -4,-0.1 2,-0.4 -0.934 55.1-142.0-131.9 146.2 5.2 -8.9 4.7 15 15 A F B -C 9 0B 4 -2,-0.3 -6,-0.2 105,-0.3 107,-0.1 -0.861 19.5-137.2 -95.4 148.5 7.9 -8.6 7.4 16 16 A D S S+ 0 0 97 -8,-2.0 2,-0.4 -2,-0.4 -7,-0.1 0.756 86.6 59.1 -80.5 -24.2 9.2 -12.0 8.7 17 17 A K - 0 0 72 -9,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.891 52.5-178.0-105.4 141.1 9.2 -10.9 12.4 18 18 A K S S+ 0 0 117 -2,-0.4 106,-1.9 1,-0.2 2,-0.4 0.431 75.0 41.7-105.7 -11.6 6.1 -9.7 14.2 19 19 A E E -d 124 0C 105 104,-0.2 2,-0.4 2,-0.0 -1,-0.2 -0.987 56.2-172.1-145.6 131.1 7.9 -9.0 17.5 20 20 A I E -d 125 0C 3 104,-2.3 106,-1.8 -2,-0.4 2,-0.5 -0.980 12.9-161.4-118.0 132.0 11.3 -7.4 18.4 21 21 A T E -d 126 0C 67 -2,-0.4 2,-0.6 104,-0.2 106,-0.2 -0.967 4.1-154.6-120.6 118.3 12.3 -7.6 22.0 22 22 A V E -d 127 0C 0 104,-3.0 106,-2.8 -2,-0.5 2,-0.2 -0.873 15.7-134.7 -93.4 116.4 15.0 -5.2 23.2 23 23 A S E > -d 128 0C 7 -2,-0.6 3,-1.4 -21,-0.4 106,-0.2 -0.506 8.3-135.2 -69.9 143.8 17.0 -6.4 26.2 24 24 A K T 3 S+ 0 0 101 104,-2.0 -1,-0.1 1,-0.3 105,-0.1 0.599 101.8 74.7 -71.4 -12.4 17.5 -3.9 29.0 25 25 A S T 3 S+ 0 0 107 103,-0.2 2,-0.4 2,-0.0 -1,-0.3 0.632 83.9 88.4 -69.6 -14.1 21.2 -5.1 29.1 26 26 A a < - 0 0 8 -3,-1.4 3,-0.1 1,-0.2 73,-0.0 -0.703 51.6-176.3 -87.4 134.6 21.6 -3.1 25.9 27 27 A K S S+ 0 0 143 -2,-0.4 72,-2.1 1,-0.3 73,-0.7 0.789 84.0 25.6 -92.0 -34.1 22.6 0.6 25.8 28 28 A Q E S- B 0 98A 116 70,-0.3 2,-0.4 71,-0.1 -1,-0.3 -0.888 73.5-160.6-124.6 153.0 22.3 0.8 22.0 29 29 A F E - B 0 97A 3 68,-2.3 68,-2.5 -2,-0.3 2,-0.4 -0.998 3.6-154.8-137.6 136.8 20.1 -1.4 19.8 30 30 A T E -aB 4 96A 34 -27,-2.5 -25,-1.9 -2,-0.4 2,-0.5 -0.925 5.4-165.5-117.3 135.2 20.5 -2.1 16.0 31 31 A V E -aB 5 95A 0 64,-2.6 64,-2.1 -2,-0.4 2,-0.6 -0.972 7.7-162.6-114.1 126.4 17.8 -3.1 13.6 32 32 A N E -aB 6 94A 38 -27,-2.7 -25,-2.4 -2,-0.5 2,-0.6 -0.965 7.9-164.3-110.6 115.2 19.2 -4.4 10.2 33 33 A L E -aB 7 93A 0 60,-3.1 60,-2.3 -2,-0.6 2,-0.4 -0.901 9.1-178.5-100.8 122.2 16.4 -4.3 7.6 34 34 A K E -aB 8 92A 62 -27,-2.4 -25,-1.7 -2,-0.6 58,-0.2 -0.917 18.8-149.3-120.6 147.4 17.1 -6.3 4.5 35 35 A H - 0 0 3 56,-2.8 55,-2.1 -2,-0.4 56,-0.5 -0.897 15.0-174.4-115.1 98.7 14.9 -6.6 1.5 36 36 A P + 0 0 64 0, 0.0 55,-0.1 0, 0.0 -27,-0.1 -0.291 49.3 66.5 -67.7 174.4 15.3 -10.1 -0.2 37 37 A G S S- 0 0 43 1,-0.1 53,-0.4 52,-0.1 -2,-0.1 -0.021 84.8 -95.8 89.0 162.6 13.3 -10.3 -3.4 38 38 A K S S+ 0 0 185 51,-0.2 2,-0.3 52,-0.1 -1,-0.1 0.217 71.7 113.0-109.2 5.8 13.4 -8.5 -6.7 39 39 A L - 0 0 67 5,-0.1 50,-2.8 1,-0.1 2,-0.0 -0.634 64.3-110.1 -88.2 150.8 11.1 -5.6 -6.9 40 40 A A >> - 0 0 54 -2,-0.3 4,-2.7 48,-0.2 3,-1.9 -0.246 25.3-109.5 -76.5 159.5 12.3 -2.0 -7.1 41 41 A K H 3> S+ 0 0 66 1,-0.3 4,-1.0 2,-0.2 -1,-0.1 0.853 113.9 63.6 -53.4 -39.7 12.0 0.6 -4.4 42 42 A N H 34 S+ 0 0 108 2,-0.2 -1,-0.3 1,-0.2 26,-0.0 0.623 116.6 26.1 -64.5 -23.7 9.3 2.5 -6.3 43 43 A V H <4 S+ 0 0 73 -3,-1.9 -2,-0.2 0, 0.0 -1,-0.2 0.730 139.8 15.8-110.6 -36.9 6.8 -0.4 -6.2 44 44 A M H < S+ 0 0 24 -4,-2.7 -2,-0.2 2,-0.0 -3,-0.1 -0.340 80.4 158.2-137.8 55.3 7.7 -2.4 -3.1 45 45 A G < - 0 0 0 -4,-1.0 2,-0.4 43,-0.1 43,-0.2 -0.383 19.6-162.5 -75.0 151.5 9.9 -0.2 -1.0 46 46 A H B +H 87 0D 0 41,-2.1 41,-2.8 -2,-0.1 2,-0.3 -0.988 18.1 167.6-142.1 146.2 10.3 -0.9 2.7 47 47 A N - 0 0 0 -2,-0.4 2,-0.4 39,-0.2 67,-0.2 -0.844 29.3-129.7-137.2 175.0 11.5 0.9 5.8 48 48 A W - 0 0 0 -2,-0.3 36,-2.1 37,-0.2 2,-0.4 -0.994 26.4-175.0-130.0 124.1 11.1 0.1 9.5 49 49 A V E -EF 83 111C 1 62,-1.9 62,-1.7 -2,-0.4 2,-0.5 -0.976 12.2-150.0-124.2 144.2 9.9 2.9 11.7 50 50 A L E +EF 82 110C 0 32,-2.6 31,-2.4 -2,-0.4 32,-1.0 -0.966 29.3 149.5-119.5 119.7 9.5 2.8 15.5 51 51 A T E - F 0 109C 0 58,-2.3 58,-2.2 -2,-0.5 2,-0.2 -0.924 52.1 -87.5-138.1 164.8 6.8 4.9 17.3 52 52 A K E >> - F 0 108C 45 27,-0.4 3,-1.2 -2,-0.3 4,-0.8 -0.565 49.7-105.1 -68.8 149.7 4.8 4.4 20.5 53 53 A Q G >4 S+ 0 0 78 54,-2.7 3,-0.8 1,-0.3 4,-0.3 0.800 118.1 47.1 -44.8 -47.4 1.6 2.4 19.9 54 54 A A G 34 S+ 0 0 97 53,-0.3 4,-0.3 1,-0.2 -1,-0.3 0.785 108.6 54.6 -72.3 -26.4 -0.8 5.4 20.1 55 55 A D G <> S+ 0 0 59 -3,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.605 82.3 95.8 -85.8 -4.4 1.3 7.6 17.7 56 56 A M H S+ 0 0 87 -4,-0.3 4,-2.8 -3,-0.2 5,-0.2 0.888 113.2 52.3 -63.4 -33.0 -1.4 6.2 12.5 58 58 A G H > S+ 0 0 26 -4,-0.3 4,-2.6 1,-0.2 5,-0.3 0.961 111.1 46.6 -62.1 -48.2 -0.4 9.8 12.8 59 59 A A H X S+ 0 0 5 -4,-2.1 4,-1.6 1,-0.2 15,-0.3 0.879 113.5 49.5 -62.5 -37.7 3.2 8.9 11.8 60 60 A V H X S+ 0 0 5 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.965 112.5 46.1 -67.8 -49.1 1.9 6.7 8.9 61 61 A N H X S+ 0 0 82 -4,-2.8 4,-1.3 1,-0.3 -2,-0.2 0.888 116.5 43.2 -69.1 -36.1 -0.4 9.4 7.5 62 62 A D H X S+ 0 0 64 -4,-2.6 4,-0.6 -5,-0.2 -1,-0.3 0.809 113.0 55.3 -74.5 -25.1 2.1 12.2 7.7 63 63 A G H >X S+ 0 0 0 -4,-1.6 3,-1.0 -5,-0.3 4,-0.9 0.917 101.5 55.8 -69.7 -43.3 4.8 9.9 6.3 64 64 A M H >< S+ 0 0 105 -4,-2.5 3,-0.7 1,-0.3 -1,-0.2 0.933 108.8 49.2 -51.6 -45.5 2.7 9.0 3.3 65 65 A A H 3< S+ 0 0 85 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.676 100.2 67.9 -70.3 -20.2 2.6 12.8 2.6 66 66 A A H << S- 0 0 22 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.786 94.0-141.9 -77.2 -28.2 6.4 13.1 3.0 67 67 A G X<> - 0 0 24 -4,-0.9 5,-2.5 -3,-0.7 3,-2.0 0.166 27.4 -71.0 87.2 157.3 7.5 11.1 -0.1 68 68 A L G > 5S+ 0 0 46 1,-0.3 3,-2.1 3,-0.2 18,-0.3 0.869 127.5 61.5 -48.8 -42.3 10.2 8.6 -1.1 69 69 A D G 3 5S+ 0 0 161 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.348 110.0 41.2 -75.0 6.5 12.9 11.4 -1.0 70 70 A N G X 5S- 0 0 75 -3,-2.0 3,-0.8 -7,-0.1 -1,-0.3 0.128 118.5-114.5-127.8 7.2 12.0 11.8 2.7 71 71 A N T < 5 - 0 0 39 -3,-2.1 -3,-0.2 1,-0.2 42,-0.2 0.749 61.9 -71.7 59.8 30.7 11.8 8.0 3.1 72 72 A Y T 3 - 0 0 90 -2,-0.4 3,-1.7 -15,-0.3 6,-0.1 -0.517 45.1-104.4 -59.7 126.0 7.9 13.5 8.1 75 75 A K T 3 S+ 0 0 147 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 -0.361 100.9 3.0 -65.7 134.0 11.3 15.3 8.7 76 76 A D T 3 S+ 0 0 140 1,-0.2 2,-1.0 2,-0.1 -1,-0.3 0.757 85.5 175.0 60.9 34.3 11.9 15.9 12.4 77 77 A D X - 0 0 17 -3,-1.7 3,-1.9 1,-0.2 -1,-0.2 -0.595 25.5-149.0 -74.9 111.7 8.7 14.1 13.3 78 78 A A T 3 S+ 0 0 99 -2,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.656 89.8 60.5 -51.2 -28.6 8.8 14.0 17.0 79 79 A R T 3 S+ 0 0 51 -24,-0.1 2,-0.8 -28,-0.1 -27,-0.4 0.744 82.6 88.9 -77.1 -26.5 6.9 10.7 17.3 80 80 A V < - 0 0 21 -3,-1.9 -29,-0.2 1,-0.2 3,-0.1 -0.649 49.6-179.1 -83.0 110.6 9.4 8.6 15.3 81 81 A I S S- 0 0 24 -31,-2.4 2,-0.3 -2,-0.8 -1,-0.2 0.881 71.9 -10.1 -73.2 -38.7 12.1 7.2 17.7 82 82 A A E +E 50 0C 8 -32,-1.0 -32,-2.6 15,-0.1 2,-0.3 -0.991 65.3 171.4-159.1 147.5 14.0 5.5 14.9 83 83 A H E -E 49 0C 69 -2,-0.3 -34,-0.2 -34,-0.2 13,-0.1 -0.930 20.3-138.6-160.7 146.1 13.7 4.6 11.2 84 84 A T - 0 0 3 -36,-2.1 2,-0.2 -2,-0.3 11,-0.1 -0.157 37.5 -92.9 -87.0-173.6 15.6 3.3 8.3 85 85 A K - 0 0 85 9,-0.1 2,-0.5 -38,-0.1 -1,-0.2 -0.465 48.3 -90.6 -85.8 170.4 15.6 4.6 4.7 86 86 A V - 0 0 0 -18,-0.3 2,-0.3 -2,-0.2 -39,-0.2 -0.762 53.3-174.1 -83.7 126.5 13.2 3.1 2.1 87 87 A I B -H 46 0D 0 -41,-2.8 -41,-2.1 -2,-0.5 2,-0.2 -0.866 10.5-150.0-121.2 158.8 15.1 0.3 0.4 88 88 A G > - 0 0 1 -2,-0.3 3,-1.9 -43,-0.2 -53,-0.3 -0.499 48.5 -39.8-115.7-177.4 14.2 -1.9 -2.6 89 89 A G T 3 S+ 0 0 28 -50,-2.8 -1,-0.2 1,-0.3 -51,-0.2 -0.191 126.7 18.0 -49.4 127.9 15.0 -5.5 -3.7 90 90 A G T 3 S+ 0 0 68 -55,-2.1 -1,-0.3 -53,-0.4 2,-0.2 0.545 103.5 108.4 85.2 7.4 18.5 -6.5 -3.0 91 91 A E < - 0 0 78 -3,-1.9 -56,-2.8 -56,-0.5 2,-0.3 -0.723 45.3-162.4-112.2 173.4 19.3 -3.7 -0.4 92 92 A T E -B 34 0A 83 -58,-0.2 2,-0.3 -2,-0.2 -58,-0.2 -0.916 5.3-176.3-139.8 153.6 19.8 -3.5 3.4 93 93 A D E -B 33 0A 40 -60,-2.3 -60,-3.1 -2,-0.3 2,-0.3 -0.959 9.4-155.0-148.0 157.0 19.7 -0.5 5.8 94 94 A S E -B 32 0A 60 -2,-0.3 2,-0.3 -62,-0.2 -62,-0.2 -0.958 6.5-169.3-132.6 146.6 20.5 -0.3 9.5 95 95 A V E -B 31 0A 23 -64,-2.1 -64,-2.6 -2,-0.3 2,-0.4 -0.995 5.2-162.3-133.4 142.7 19.4 2.0 12.4 96 96 A T E +B 30 0A 74 -2,-0.3 2,-0.3 -66,-0.2 -66,-0.2 -0.991 13.6 178.3-123.8 130.6 20.8 2.1 15.9 97 97 A F E -B 29 0A 8 -68,-2.5 -68,-2.3 -2,-0.4 2,-0.5 -0.882 36.2-100.6-128.3 161.0 19.0 3.8 18.8 98 98 A D E > -B 28 0A 65 -2,-0.3 3,-2.1 -70,-0.2 -70,-0.3 -0.718 21.2-144.9 -76.9 125.3 19.6 4.3 22.5 99 99 A V G > S+ 0 0 10 -72,-2.1 3,-2.4 -2,-0.5 -1,-0.2 0.820 96.6 77.4 -61.0 -24.0 17.5 1.8 24.5 100 100 A S G 3 S+ 0 0 85 -73,-0.7 -1,-0.3 1,-0.3 -72,-0.1 0.572 78.7 67.3 -61.5 -12.2 17.3 4.7 26.9 101 101 A K G < S+ 0 0 116 -3,-2.1 2,-0.4 2,-0.0 -1,-0.3 0.523 91.3 83.9 -84.5 -4.2 14.6 6.3 24.7 102 102 A L < - 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