==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 15-NOV-10 3PLY . COMPND 2 MOLECULE: AMICYANIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS DENITRIFICANS; . AUTHOR N.SUKUMAR,V.L.DAVIDSON . 420 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18601.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 282 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 27.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 12 2.9 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 . 67 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.5 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+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 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 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 . 9 16 2 0 1 5 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 . 1 1 2 3 3 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 D 0 0 145 0, 0.0 62,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 161.7 65.0 -1.0 -18.8 2 2 A K + 0 0 67 60,-3.4 81,-2.6 1,-0.2 82,-0.9 0.366 360.0 31.9-113.3 5.9 64.1 -1.2 -15.1 3 3 A A E -A 82 0A 6 59,-0.5 2,-0.3 79,-0.3 79,-0.2 -0.986 63.3-146.3-156.8 147.8 61.9 -4.3 -15.3 4 4 A T E -A 81 0A 78 77,-2.2 77,-2.6 -2,-0.3 -2,-0.0 -0.784 20.3-126.7-112.3 166.7 61.6 -7.5 -17.2 5 5 A I - 0 0 43 -2,-0.3 3,-0.2 75,-0.2 75,-0.2 -0.906 12.5-167.5-119.8 103.3 58.4 -9.3 -18.1 6 6 A P S S+ 0 0 78 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.883 84.9 15.6 -54.6 -40.9 58.2 -13.0 -17.2 7 7 A S - 0 0 38 72,-0.4 72,-0.3 1,-0.1 4,-0.1 -0.962 60.2-158.1-141.9 118.5 55.1 -13.5 -19.4 8 8 A E S S+ 0 0 137 -2,-0.4 -1,-0.1 -3,-0.2 0, 0.0 0.880 85.0 55.3 -65.8 -32.4 53.9 -11.1 -22.1 9 9 A S S S- 0 0 78 1,-0.1 63,-0.1 60,-0.1 2,-0.0 -0.601 98.6 -99.7 -97.3 158.8 50.4 -12.6 -21.8 10 10 A P - 0 0 32 0, 0.0 2,-0.3 0, 0.0 68,-0.2 -0.364 44.9-163.1 -70.5 158.3 48.3 -12.9 -18.7 11 11 A F E -B 77 0A 39 66,-2.1 66,-2.9 -4,-0.1 2,-0.1 -0.855 29.1 -62.3-141.2 174.2 48.3 -16.3 -17.0 12 12 A A E > -B 76 0A 47 -2,-0.3 3,-1.9 64,-0.2 4,-0.3 -0.363 33.3-142.1 -64.8 126.8 46.3 -18.4 -14.5 13 13 A A G > S+ 0 0 10 62,-2.1 3,-2.5 1,-0.3 -1,-0.1 0.884 99.2 68.5 -47.6 -41.0 46.2 -17.1 -11.0 14 14 A A G 3 S+ 0 0 99 61,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.669 87.2 66.0 -61.2 -16.6 46.5 -20.6 -9.7 15 15 A E G < S+ 0 0 144 -3,-1.9 2,-0.5 2,-0.1 -1,-0.3 0.635 77.5 102.6 -79.7 -12.0 50.1 -20.8 -11.0 16 16 A V S < S- 0 0 28 -3,-2.5 2,-0.1 -4,-0.3 3,-0.1 -0.605 77.7-123.2 -77.3 119.5 51.2 -18.2 -8.5 17 17 A A > - 0 0 68 -2,-0.5 3,-2.6 1,-0.1 -2,-0.1 -0.361 27.1-105.5 -62.2 134.1 53.0 -19.8 -5.6 18 18 A D T 3 S+ 0 0 170 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.353 113.0 35.1 -54.1 141.3 51.6 -19.1 -2.1 19 19 A G T 3 S+ 0 0 82 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.233 87.6 133.3 87.7 -14.2 54.0 -16.7 -0.6 20 20 A A S < S- 0 0 43 -3,-2.6 2,-0.6 1,-0.1 -1,-0.3 -0.293 71.1 -97.4 -61.8 156.7 54.6 -14.9 -3.9 21 21 A I E -c 43 0A 56 21,-0.6 23,-1.9 -3,-0.1 2,-0.4 -0.717 55.6-179.6 -78.5 118.1 54.5 -11.1 -3.8 22 22 A V E -c 44 0A 37 -2,-0.6 2,-0.6 21,-0.2 23,-0.2 -0.974 30.5-162.4-133.4 133.6 51.0 -10.2 -5.0 23 23 A V E -c 45 0A 0 21,-2.2 23,-2.3 -2,-0.4 2,-0.2 -0.963 26.6-150.0-106.5 115.9 49.0 -7.0 -5.5 24 24 A D E -c 46 0A 39 -2,-0.6 7,-3.2 21,-0.2 2,-0.5 -0.552 3.1-149.7 -85.8 152.8 45.3 -7.9 -5.7 25 25 A I E +cD 47 30A 0 21,-2.0 23,-3.1 5,-0.2 24,-0.4 -0.959 33.6 141.6-126.4 115.7 42.8 -6.0 -7.7 26 26 A A E > + D 0 29A 20 3,-1.5 3,-1.3 -2,-0.5 -2,-0.0 -0.988 59.6 14.2-149.6 148.7 39.2 -5.9 -6.5 27 27 A K T 3 S- 0 0 37 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.874 127.6 -59.4 51.1 42.2 36.5 -3.4 -6.4 28 28 A M T 3 S+ 0 0 4 1,-0.2 2,-0.3 23,-0.1 -1,-0.3 0.735 114.7 101.2 67.1 23.8 38.2 -1.1 -8.8 29 29 A K E < S-D 26 0A 83 -3,-1.3 -3,-1.5 69,-0.1 2,-0.7 -0.988 77.6-118.6-136.6 151.0 41.3 -0.6 -6.7 30 30 A Y E -D 25 0A 10 -2,-0.3 -5,-0.2 69,-0.3 69,-0.1 -0.809 32.4-148.2 -78.4 116.5 44.9 -1.9 -6.5 31 31 A E S S+ 0 0 114 -7,-3.2 -1,-0.1 -2,-0.7 -6,-0.1 0.713 90.6 39.3 -73.4 -17.5 44.5 -3.4 -3.0 32 32 A T S S+ 0 0 50 -8,-0.4 -1,-0.3 1,-0.1 69,-0.3 -0.798 71.7 173.2-126.1 90.7 48.2 -2.7 -2.2 33 33 A P S S+ 0 0 74 0, 0.0 68,-1.7 0, 0.0 2,-0.5 0.702 71.1 40.3 -80.1 -21.1 48.8 0.7 -3.7 34 34 A E E S-f 101 0B 104 66,-0.2 2,-0.5 68,-0.0 68,-0.2 -0.886 77.0-175.8-127.3 100.4 52.3 1.3 -2.3 35 35 A L E -f 102 0B 22 66,-2.4 68,-4.0 -2,-0.5 2,-0.6 -0.824 12.8-154.1-105.3 128.0 54.3 -1.9 -2.5 36 36 A H E +f 103 0B 99 -2,-0.5 2,-0.2 66,-0.2 68,-0.2 -0.881 27.3 154.4-101.7 121.2 57.8 -2.2 -1.1 37 37 A V E -f 104 0B 10 66,-2.6 68,-2.0 -2,-0.6 2,-0.3 -0.704 38.1-108.2-128.4-176.9 60.1 -4.8 -2.7 38 38 A K > - 0 0 137 -2,-0.2 3,-2.4 66,-0.2 44,-0.2 -0.844 48.2 -80.7-112.6 154.1 63.8 -5.4 -3.1 39 39 A V T 3 S+ 0 0 68 66,-2.4 44,-0.2 -2,-0.3 -1,-0.1 -0.265 119.9 27.8 -50.0 129.1 65.8 -5.1 -6.3 40 40 A G T 3 S+ 0 0 46 42,-2.7 -1,-0.3 1,-0.3 43,-0.1 0.238 89.7 134.5 102.4 -12.7 65.3 -8.4 -8.2 41 41 A D < - 0 0 58 -3,-2.4 41,-2.2 41,-0.1 2,-0.6 -0.391 51.3-131.5 -74.8 145.9 61.9 -9.2 -6.9 42 42 A T E - E 0 81A 59 39,-0.2 -21,-0.6 -2,-0.1 2,-0.4 -0.868 18.5-162.1 -96.9 121.1 58.9 -10.4 -9.0 43 43 A V E -cE 21 80A 0 37,-2.8 37,-2.6 -2,-0.6 2,-0.5 -0.835 4.3-163.4-101.4 134.5 55.6 -8.6 -8.4 44 44 A T E -cE 22 79A 8 -23,-1.9 -21,-2.2 -2,-0.4 2,-0.4 -0.969 6.7-154.7-122.2 121.1 52.4 -10.2 -9.6 45 45 A W E -cE 23 78A 0 33,-3.0 33,-2.1 -2,-0.5 2,-0.4 -0.742 12.7-164.8 -85.6 139.1 49.1 -8.4 -10.0 46 46 A I E -cE 24 77A 4 -23,-2.3 -21,-2.0 -2,-0.4 2,-0.6 -0.989 13.5-140.3-127.7 126.2 46.0 -10.7 -9.8 47 47 A N E -cE 25 76A 0 29,-2.7 28,-2.8 -2,-0.4 29,-0.5 -0.738 17.1-177.0 -87.0 121.9 42.6 -9.6 -11.0 48 48 A R + 0 0 98 -23,-3.1 2,-0.2 -2,-0.6 -22,-0.1 0.406 60.2 54.8-100.6 0.7 40.0 -10.8 -8.6 49 49 A E S S- 0 0 14 -24,-0.4 26,-0.1 2,-0.3 4,-0.1 -0.705 84.1-108.8-131.0-179.5 37.0 -9.5 -10.5 50 50 A A S S+ 0 0 33 -2,-0.2 24,-0.2 23,-0.1 327,-0.1 0.767 89.3 92.0 -86.6 -28.8 35.2 -9.6 -13.8 51 51 A M S S- 0 0 5 22,-0.1 -2,-0.3 325,-0.1 -23,-0.1 -0.569 85.9-120.5 -63.1 121.9 36.0 -6.0 -14.9 52 52 A P + 0 0 22 0, 0.0 2,-0.3 0, 0.0 21,-0.2 -0.395 39.0 175.0 -64.7 143.3 39.3 -6.3 -16.8 53 53 A H B -J 72 0C 0 19,-1.3 19,-2.9 -4,-0.1 2,-0.2 -0.954 9.3-177.4-141.8 161.5 42.2 -4.3 -15.5 54 54 A N - 0 0 0 -2,-0.3 2,-0.4 17,-0.2 17,-0.1 -0.783 28.3-111.0-138.8-173.6 45.9 -3.9 -16.3 55 55 A V - 0 0 0 -2,-0.2 14,-2.7 15,-0.2 2,-0.4 -0.993 30.9-170.6-124.7 140.0 48.9 -2.1 -15.0 56 56 A H E -GH 68 91B 0 35,-1.6 35,-2.1 -2,-0.4 2,-0.5 -0.985 11.1-169.6-139.6 116.6 50.4 0.7 -17.1 57 57 A F E -G 67 0B 0 10,-2.8 10,-2.5 -2,-0.4 33,-0.1 -0.945 29.3-127.2-106.5 124.2 53.6 2.5 -16.5 58 58 A V > - 0 0 23 -2,-0.5 3,-2.1 31,-0.2 4,-0.5 -0.199 42.0 -68.0 -73.4 167.0 53.9 5.6 -18.7 59 59 A A T 3 S+ 0 0 36 1,-0.3 7,-0.2 2,-0.1 6,-0.2 -0.209 121.6 26.9 -54.1 134.6 56.9 6.3 -21.0 60 60 A G T 3 S+ 0 0 54 3,-2.4 -1,-0.3 5,-0.5 4,-0.1 0.103 100.3 89.1 102.4 -20.9 60.1 7.0 -19.1 61 61 A V S < S+ 0 0 35 -3,-2.1 -2,-0.1 1,-0.1 3,-0.1 0.994 106.9 7.0 -76.1 -63.7 59.2 5.0 -16.0 62 62 A L S S- 0 0 5 -4,-0.5 -60,-3.4 3,-0.3 -59,-0.5 0.499 138.1 -32.4 -97.1 -7.8 60.4 1.5 -16.5 63 63 A G S S- 0 0 13 -5,-0.3 -3,-2.4 2,-0.2 -1,-0.2 -0.976 83.3 -59.8 173.0-178.0 62.1 2.4 -19.7 64 64 A E S S+ 0 0 187 -2,-0.3 -1,-0.1 -5,-0.2 2,-0.1 0.940 117.9 51.8 -49.5 -49.8 62.2 4.6 -22.8 65 65 A A S S- 0 0 60 -6,-0.2 -5,-0.5 1,-0.1 -3,-0.3 -0.396 97.2 -98.8 -87.9 160.7 58.8 3.2 -23.8 66 66 A A - 0 0 6 -7,-0.2 2,-0.7 -2,-0.1 -8,-0.2 -0.456 28.8-140.0 -65.9 146.3 55.6 2.9 -21.9 67 67 A L E -G 57 0B 24 -10,-2.5 -10,-2.8 -2,-0.1 2,-0.7 -0.928 24.4-179.1-110.5 105.5 55.0 -0.5 -20.4 68 68 A K E -G 56 0B 56 -2,-0.7 -12,-0.2 -12,-0.2 24,-0.0 -0.893 17.7-143.9-109.5 104.8 51.3 -1.2 -20.9 69 69 A G - 0 0 1 -14,-2.7 2,-0.1 -2,-0.7 24,-0.1 -0.139 25.1 -94.6 -66.6 162.9 50.4 -4.5 -19.5 70 70 A P - 0 0 34 0, 0.0 -15,-0.2 0, 0.0 2,-0.2 -0.448 46.9 -94.1 -75.9 151.0 47.8 -6.8 -21.1 71 71 A M - 0 0 64 -17,-0.1 2,-0.5 -2,-0.1 -17,-0.2 -0.471 41.3-146.9 -63.3 133.4 44.2 -6.6 -19.9 72 72 A M B -J 53 0C 0 -19,-2.9 -19,-1.3 -2,-0.2 3,-0.1 -0.918 7.3-156.0-106.1 126.6 43.6 -9.3 -17.2 73 73 A K > - 0 0 134 -2,-0.5 3,-1.5 1,-0.2 -26,-0.3 -0.257 51.8 -45.8 -84.4-176.1 40.2 -11.0 -16.9 74 74 A K T 3 S+ 0 0 117 1,-0.3 -26,-0.2 -24,-0.2 -1,-0.2 -0.230 128.6 5.9 -56.6 131.3 39.0 -12.6 -13.6 75 75 A E T 3 S+ 0 0 73 -28,-2.8 -62,-2.1 1,-0.3 2,-0.3 0.825 99.2 130.8 63.2 31.7 41.5 -14.8 -11.9 76 76 A Q E < -BE 12 47A 43 -3,-1.5 -29,-2.7 -29,-0.5 2,-0.3 -0.887 40.4-155.1-112.1 153.1 44.3 -13.8 -14.3 77 77 A A E -BE 11 46A 0 -66,-2.9 -66,-2.1 -2,-0.3 2,-0.3 -0.856 11.6-170.4-126.1 156.4 47.7 -12.7 -13.3 78 78 A Y E - E 0 45A 4 -33,-2.1 -33,-3.0 -2,-0.3 2,-0.3 -0.987 13.1-159.6-146.4 141.9 50.5 -10.6 -14.7 79 79 A S E - E 0 44A 6 -72,-0.3 -72,-0.4 -2,-0.3 2,-0.4 -0.888 11.9-171.2-127.3 151.4 54.0 -10.1 -13.4 80 80 A L E - E 0 43A 0 -37,-2.6 -37,-2.8 -2,-0.3 2,-0.5 -0.991 15.6-146.2-138.8 136.1 56.9 -7.8 -13.6 81 81 A T E -AE 4 42A 23 -77,-2.6 -77,-2.2 -2,-0.4 2,-0.5 -0.878 18.0-142.0 -97.7 123.4 60.4 -8.3 -12.3 82 82 A F E +A 3 0A 0 -41,-2.2 -42,-2.7 -2,-0.5 -79,-0.3 -0.771 21.8 177.2 -91.9 128.0 62.0 -5.1 -11.1 83 83 A T + 0 0 67 -81,-2.6 2,-0.4 -2,-0.5 -80,-0.2 0.445 59.9 49.6-111.8 -1.7 65.7 -4.8 -11.8 84 84 A E S S- 0 0 87 -82,-0.9 20,-0.1 -46,-0.1 -1,-0.1 -0.999 82.0-109.8-143.4 138.5 66.6 -1.3 -10.6 85 85 A A + 0 0 56 -2,-0.4 2,-0.3 18,-0.1 20,-0.2 -0.353 68.2 84.4 -65.3 145.9 66.0 0.5 -7.3 86 86 A G E S- I 0 104B 30 18,-2.4 18,-3.5 2,-0.0 2,-0.5 -0.902 77.0 -74.1 153.2-174.4 63.5 3.5 -7.4 87 87 A T E - I 0 103B 73 -2,-0.3 2,-0.5 16,-0.2 16,-0.2 -0.972 39.8-167.3-117.8 124.7 59.8 4.2 -7.2 88 88 A Y E - 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