==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 18-FEB-97 1ADW . COMPND 2 MOLECULE: PSEUDOAZURIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS PANTOTROPHUS; . AUTHOR P.A.WILLIAMS . 246 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11681.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 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 . 0 0.0 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-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 . 34 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 11.4 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 0 0 2 0 0 0 0 2 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 . 2 2 0 2 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 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 90 0, 0.0 29,-2.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 158.3 -12.1 -14.4 24.2 2 2 A T E -a 30 0A 87 27,-0.2 2,-0.4 29,-0.1 29,-0.2 -0.841 360.0-167.3-112.5 144.9 -12.5 -10.7 23.4 3 3 A H E -a 31 0A 16 27,-2.2 29,-3.4 -2,-0.3 2,-0.4 -0.992 9.5-148.6-131.6 137.9 -11.8 -7.8 25.7 4 4 A E E -a 32 0A 93 -2,-0.4 2,-0.4 27,-0.2 29,-0.2 -0.927 11.5-174.4-112.8 132.2 -12.9 -4.2 25.2 5 5 A V E -a 33 0A 3 27,-2.9 29,-3.1 -2,-0.4 2,-0.3 -0.992 13.6-147.4-124.9 127.4 -10.9 -1.1 26.3 6 6 A H E -aB 34 19A 59 13,-2.9 13,-2.8 -2,-0.4 2,-0.6 -0.730 6.9-142.0 -96.7 144.5 -12.3 2.4 26.0 7 7 A M E +aB 35 18A 0 27,-2.2 30,-1.6 -2,-0.3 29,-1.0 -0.942 35.9 178.0-102.6 116.7 -10.2 5.5 25.3 8 8 A L E - B 0 17A 18 9,-2.8 9,-2.3 -2,-0.6 3,-0.2 -0.944 43.2-148.9-128.4 150.9 -11.9 8.3 27.4 9 9 A N E S+ 0 0 62 -2,-0.3 7,-2.5 1,-0.3 2,-0.4 0.867 101.8 14.3 -77.4 -38.9 -11.4 11.9 28.2 10 10 A K E S+ B 0 15A 134 5,-0.3 -1,-0.3 6,-0.1 5,-0.2 -0.944 79.2 167.1-141.3 114.8 -12.9 11.3 31.7 11 11 A G - 0 0 7 3,-3.1 3,-0.1 -2,-0.4 137,-0.1 -0.431 53.9 -81.9-112.7-165.3 -13.4 7.9 33.1 12 12 A E S S+ 0 0 36 1,-0.2 136,-3.1 -2,-0.2 3,-0.1 0.668 126.8 38.9 -72.9 -18.2 -14.3 6.4 36.5 13 13 A S S S- 0 0 31 1,-0.3 2,-0.3 134,-0.2 -1,-0.2 0.574 124.6 -59.1-108.1 -16.0 -10.6 6.7 37.7 14 14 A G - 0 0 15 -3,-0.1 -3,-3.1 134,-0.1 2,-0.3 -0.992 67.6 -45.1 166.8-161.8 -9.5 10.0 36.2 15 15 A A E S+B 10 0A 47 -2,-0.3 -5,-0.3 -5,-0.2 -6,-0.1 -0.769 107.7 17.7-103.9 150.9 -8.9 12.0 33.1 16 16 A M E S+ 0 0 32 -7,-2.5 2,-0.3 -2,-0.3 -1,-0.2 0.997 92.4 158.3 53.5 75.2 -7.3 10.9 29.9 17 17 A V E -B 8 0A 6 -9,-2.3 -9,-2.8 -3,-0.2 2,-0.5 -0.921 51.5-134.5-134.7 154.1 -7.7 7.1 30.6 18 18 A F E -B 7 0A 3 69,-0.5 -11,-0.2 -2,-0.3 69,-0.1 -0.858 45.1-125.2 -94.1 134.4 -7.8 3.7 29.0 19 19 A E E S+B 6 0A 41 -13,-2.8 -13,-2.9 -2,-0.5 2,-0.2 -0.908 98.1 22.8-138.5 116.3 -10.7 2.0 30.7 20 20 A P S S- 0 0 40 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.522 82.7-168.5 -67.9 150.8 -10.2 -0.6 32.0 21 21 A A S S+ 0 0 24 -2,-0.2 68,-3.1 1,-0.1 2,-0.4 0.550 74.5 49.2 -87.4 -11.3 -6.5 0.3 32.3 22 22 A F E -d 89 0B 6 66,-0.2 2,-0.4 68,-0.0 68,-0.2 -1.000 66.6-179.0-131.2 127.2 -5.6 -3.3 33.2 23 23 A V E -d 90 0B 2 66,-1.7 68,-2.7 -2,-0.4 2,-0.7 -0.998 17.0-150.8-129.3 130.2 -6.8 -6.3 31.3 24 24 A R E +d 91 0B 53 112,-2.7 2,-0.2 -2,-0.4 68,-0.2 -0.905 31.7 169.4-103.0 107.0 -6.0 -9.9 32.2 25 25 A A E -d 92 0B 1 66,-2.2 68,-2.3 -2,-0.7 -23,-0.0 -0.645 29.1-133.2-115.6 173.9 -5.9 -12.0 29.0 26 26 A E > - 0 0 97 66,-0.2 3,-1.8 -2,-0.2 42,-0.2 -0.831 47.0 -79.1-121.4 155.7 -4.9 -15.5 27.8 27 27 A P T 3 S+ 0 0 68 0, 0.0 42,-0.3 0, 0.0 3,-0.1 -0.332 120.3 31.7 -57.2 139.3 -2.9 -16.2 24.7 28 28 A G T 3 S+ 0 0 49 40,-3.1 41,-0.2 1,-0.3 2,-0.1 0.432 90.4 134.2 92.7 -2.1 -5.1 -16.1 21.6 29 29 A D E < - C 0 68A 17 -3,-1.8 39,-2.5 39,-0.7 2,-0.4 -0.471 50.3-133.2 -80.9 154.4 -7.3 -13.4 23.1 30 30 A V E -aC 2 67A 37 -29,-2.7 -27,-2.2 37,-0.2 2,-0.5 -0.900 12.8-161.7-110.7 134.0 -8.4 -10.3 21.2 31 31 A I E -aC 3 66A 0 35,-3.4 35,-3.3 -2,-0.4 2,-0.6 -0.977 6.2-159.5-117.3 117.2 -8.2 -6.8 22.7 32 32 A N E -aC 4 65A 43 -29,-3.4 -27,-2.9 -2,-0.5 2,-0.7 -0.881 3.0-156.2-100.9 118.9 -10.3 -4.2 21.0 33 33 A F E -aC 5 64A 2 31,-3.4 31,-1.8 -2,-0.6 -27,-0.2 -0.869 16.1-169.8 -95.4 110.6 -9.3 -0.5 21.7 34 34 A V E -a 6 0A 36 -29,-3.1 -27,-2.2 -2,-0.7 2,-1.3 -0.914 20.4-140.4-108.3 120.3 -12.4 1.6 21.2 35 35 A P E +a 7 0A 28 0, 0.0 -27,-0.1 0, 0.0 -29,-0.1 -0.631 25.9 171.6 -79.6 94.2 -12.2 5.4 21.0 36 36 A T S S+ 0 0 72 -2,-1.3 2,-0.3 -29,-1.0 -28,-0.2 0.800 75.0 34.1 -70.9 -31.0 -15.3 6.4 22.9 37 37 A D S S- 0 0 52 -30,-1.6 3,-0.5 -3,-0.2 24,-0.2 -0.878 96.7-106.8-120.1 156.5 -14.1 10.0 22.8 38 38 A K S S+ 0 0 158 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.406 89.4 49.5 -84.2 161.3 -12.1 11.6 20.0 39 39 A S S S+ 0 0 45 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.373 85.5 111.4 93.6 4.7 -8.4 12.6 20.0 40 40 A H + 0 0 0 -3,-0.5 21,-2.3 -33,-0.1 22,-0.4 -0.774 33.4 165.9-111.9 156.7 -7.0 9.2 21.2 41 41 A N - 0 0 3 -2,-0.3 2,-0.4 19,-0.2 19,-0.1 -0.804 29.5-122.1-147.9 179.2 -5.0 6.4 19.7 42 42 A V + 0 0 0 -2,-0.2 16,-2.4 36,-0.1 2,-0.3 -0.999 28.5 172.3-136.2 131.1 -3.2 3.4 21.1 43 43 A E E -EF 57 77B 25 34,-2.6 34,-2.7 -2,-0.4 14,-0.2 -0.995 34.9-107.5-138.5 142.6 0.5 2.7 20.6 44 44 A A E - F 0 76B 1 12,-2.4 2,-1.0 -2,-0.3 32,-0.3 -0.409 21.8-130.1 -70.2 143.8 2.7 0.1 22.2 45 45 A I > - 0 0 2 30,-2.6 3,-2.1 3,-0.3 30,-0.4 -0.861 22.6-148.4 -91.5 102.8 5.3 1.2 24.8 46 46 A K T 3 S+ 0 0 143 -2,-1.0 3,-0.4 1,-0.3 -1,-0.2 0.724 91.5 58.4 -46.2 -32.2 8.3 -0.6 23.2 47 47 A E T 3 S+ 0 0 108 1,-0.2 2,-0.7 59,-0.1 -1,-0.3 0.779 104.1 55.2 -70.8 -25.9 10.0 -1.3 26.5 48 48 A I S < S+ 0 0 0 -3,-2.1 27,-2.7 27,-0.1 -3,-0.3 -0.635 83.0 108.0-110.5 72.0 7.0 -3.2 27.8 49 49 A L - 0 0 26 -2,-0.7 25,-0.2 -3,-0.4 3,-0.1 -0.994 69.1-107.8-144.9 141.4 6.4 -5.9 25.2 50 50 A P > - 0 0 10 0, 0.0 3,-1.5 0, 0.0 22,-0.1 -0.278 53.7 -82.2 -64.0 159.5 7.0 -9.6 25.2 51 51 A E T 3 S+ 0 0 167 1,-0.2 3,-0.1 20,-0.2 47,-0.0 -0.417 115.3 20.2 -61.6 132.2 9.9 -11.0 23.1 52 52 A G T 3 S+ 0 0 78 1,-0.2 2,-0.5 -3,-0.1 -1,-0.2 0.511 88.1 123.1 88.8 -0.1 8.9 -11.3 19.5 53 53 A V < - 0 0 36 -3,-1.5 -1,-0.2 16,-0.0 2,-0.2 -0.869 58.3-126.9-101.7 132.4 5.9 -9.0 19.3 54 54 A E - 0 0 169 -2,-0.5 2,-0.1 1,-0.1 -10,-0.0 -0.486 27.1-107.5 -71.3 144.9 6.0 -6.1 16.8 55 55 A S - 0 0 47 -2,-0.2 2,-0.3 -11,-0.1 -1,-0.1 -0.367 39.2-158.9 -68.2 153.2 5.4 -2.6 17.9 56 56 A F - 0 0 15 -2,-0.1 -12,-2.4 2,-0.0 2,-0.3 -0.970 17.8-177.0-139.6 152.5 2.0 -1.1 16.9 57 57 A K B -E 43 0B 132 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.910 11.6-157.6-151.4 118.5 0.5 2.4 16.4 58 58 A S - 0 0 9 -16,-2.4 2,-0.2 -2,-0.3 6,-0.1 -0.537 27.6-101.7 -94.2 164.8 -3.1 3.1 15.4 59 59 A K > - 0 0 148 4,-0.2 3,-1.7 -2,-0.2 -17,-0.1 -0.520 48.9 -86.7 -83.2 152.9 -4.5 6.3 13.9 60 60 A I T 3 S+ 0 0 81 1,-0.3 -19,-0.2 -2,-0.2 -1,-0.1 -0.257 112.0 13.9 -60.2 141.6 -6.3 8.9 16.0 61 61 A N T 3 S+ 0 0 71 -21,-2.3 2,-0.3 1,-0.2 -1,-0.3 0.475 104.0 120.7 69.6 7.1 -10.1 8.3 16.4 62 62 A E < - 0 0 92 -3,-1.7 -1,-0.2 -22,-0.4 2,-0.2 -0.736 64.5-120.3-105.7 152.0 -9.7 4.8 15.1 63 63 A S - 0 0 78 -2,-0.3 2,-0.4 -29,-0.1 -29,-0.2 -0.496 28.2-159.5 -78.6 153.0 -10.5 1.4 16.6 64 64 A Y E -C 33 0A 67 -31,-1.8 -31,-3.4 -2,-0.2 2,-0.6 -0.999 7.8-152.4-140.0 132.7 -7.6 -1.0 16.9 65 65 A T E -C 32 0A 79 -2,-0.4 2,-0.6 -33,-0.2 -33,-0.2 -0.933 12.0-169.8-109.8 112.1 -7.8 -4.8 17.3 66 66 A L E -C 31 0A 14 -35,-3.3 -35,-3.4 -2,-0.6 2,-0.7 -0.899 6.9-161.3-105.0 120.6 -4.8 -6.4 19.1 67 67 A T E -C 30 0A 82 -2,-0.6 2,-0.7 -37,-0.2 -37,-0.2 -0.910 13.4-151.4-100.2 114.5 -4.5 -10.2 19.1 68 68 A V E +C 29 0A 0 -39,-2.5 -40,-3.1 -2,-0.7 -39,-0.7 -0.822 32.2 153.6 -92.9 116.6 -2.2 -11.2 21.9 69 69 A T + 0 0 86 -2,-0.7 -1,-0.2 -42,-0.3 -40,-0.0 0.824 54.0 68.6-104.1 -50.1 -0.4 -14.4 21.2 70 70 A E S S- 0 0 85 -43,-0.1 22,-0.1 1,-0.1 2,-0.1 -0.426 81.6-122.3 -76.3 138.1 2.8 -14.2 23.3 71 71 A P + 0 0 78 0, 0.0 2,-0.2 0, 0.0 22,-0.2 -0.438 67.5 72.0 -76.0 158.1 2.6 -14.3 27.1 72 72 A G E S- G 0 92B 2 20,-2.4 20,-2.8 -22,-0.1 2,-0.4 -0.733 86.8 -46.5 129.8-175.3 4.0 -11.4 29.1 73 73 A L E - 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