==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 19-FEB-04 1SFD . COMPND 2 MOLECULE: AMICYANIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS DENITRIFICANS; . AUTHOR C.J.CARRELL,D.SUN,S.JIANG,V.L.DAVIDSON,F.S.MATHEWS . 210 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10458.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 28.1 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 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 . 27 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.6 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+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 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 PARALLEL BRIDGES PER LADDER . 4 8 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 0 153 0, 0.0 62,-0.2 0, 0.0 61,-0.1 0.000 360.0 360.0 360.0 163.9 34.4 16.0 10.5 2 2 A K + 0 0 64 60,-2.9 81,-2.0 1,-0.1 82,-0.6 0.342 360.0 35.4-101.2 2.4 31.2 14.6 8.9 3 3 A A E -A 82 0A 12 59,-0.5 2,-0.3 79,-0.2 79,-0.2 -0.981 63.5-145.9-151.1 152.3 28.7 15.8 11.4 4 4 A T E -A 81 0A 80 77,-1.8 77,-2.7 -2,-0.3 -2,-0.0 -0.781 18.5-129.6-115.8 164.8 28.1 18.8 13.7 5 5 A I - 0 0 45 -2,-0.3 3,-0.2 75,-0.2 75,-0.2 -0.912 16.1-174.4-125.3 102.5 26.5 18.8 17.1 6 6 A P S S+ 0 0 83 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.740 84.9 29.4 -71.8 -20.7 23.6 21.3 17.9 7 7 A S - 0 0 26 72,-0.4 72,-0.3 1,-0.1 4,-0.1 -0.913 63.6-166.3-139.2 107.7 23.5 20.3 21.6 8 8 A E S S+ 0 0 142 -2,-0.4 -1,-0.1 -3,-0.2 3,-0.1 0.883 80.7 43.0 -62.0 -39.2 26.6 19.0 23.3 9 9 A S S S- 0 0 72 1,-0.1 68,-0.1 60,-0.1 63,-0.1 -0.645 104.8 -86.1 -98.3 164.4 24.6 17.7 26.2 10 10 A P - 0 0 32 0, 0.0 2,-0.3 0, 0.0 68,-0.2 -0.360 49.3-161.4 -62.8 151.0 21.4 15.8 26.2 11 11 A F E -B 77 0A 40 66,-2.4 66,-2.8 -4,-0.1 2,-0.2 -0.841 28.3 -73.6-133.0 168.6 18.3 18.1 26.1 12 12 A A E > -B 76 0A 46 -2,-0.3 3,-2.1 64,-0.2 64,-0.2 -0.405 29.8-137.2 -66.6 135.8 14.6 17.7 26.9 13 13 A A G > S+ 0 0 13 62,-2.5 3,-2.0 1,-0.3 -1,-0.2 0.806 103.4 68.0 -57.5 -32.4 12.5 15.8 24.5 14 14 A A G 3 S+ 0 0 100 61,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.705 96.7 55.7 -62.9 -17.3 9.8 18.5 24.8 15 15 A E G < S+ 0 0 145 -3,-2.1 2,-0.3 2,-0.1 -1,-0.3 0.233 77.0 115.8-100.9 11.2 12.3 20.8 23.0 16 16 A V S < S- 0 0 21 -3,-2.0 6,-0.0 1,-0.1 -3,-0.0 -0.618 77.4-106.9 -73.4 133.3 12.7 18.6 20.0 17 17 A A > - 0 0 69 -2,-0.3 3,-1.4 1,-0.1 -1,-0.1 -0.329 17.2-123.6 -65.6 151.5 11.3 20.5 17.0 18 18 A D T 3 S+ 0 0 179 1,-0.3 -1,-0.1 -3,-0.0 -2,-0.0 0.817 111.9 49.9 -56.5 -35.4 8.0 19.3 15.6 19 19 A G T 3 S+ 0 0 75 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.618 87.0 129.4 -71.1 -23.1 9.6 18.9 12.2 20 20 A A < - 0 0 36 -3,-1.4 2,-0.6 1,-0.1 23,-0.1 0.018 64.1-122.9 -60.7 145.7 12.5 16.9 13.4 21 21 A I E -c 43 0A 56 21,-0.7 23,-2.7 2,-0.0 2,-0.4 -0.759 43.6-165.8 -77.4 108.1 13.7 13.6 12.0 22 22 A V E -c 44 0A 44 -2,-0.6 2,-0.5 21,-0.2 23,-0.2 -0.932 25.1-166.1-113.0 134.7 13.5 11.4 15.2 23 23 A V E -c 45 0A 0 21,-2.5 23,-2.3 -2,-0.4 2,-0.2 -0.979 21.6-147.9-113.0 117.0 14.9 8.0 16.1 24 24 A D E -c 46 0A 46 -2,-0.5 7,-3.3 21,-0.2 2,-0.5 -0.581 1.4-149.6 -81.2 147.4 13.3 6.6 19.2 25 25 A I E +cD 47 30A 0 21,-2.4 23,-2.9 5,-0.2 24,-0.3 -0.978 36.9 139.0-116.1 120.6 15.3 4.3 21.6 26 26 A A E > + D 0 29A 5 3,-2.4 3,-1.3 -2,-0.5 -2,-0.0 -0.982 54.2 17.6-159.7 149.8 13.1 1.8 23.4 27 27 A K T 3 S- 0 0 145 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.867 128.5 -59.1 52.9 41.8 13.2 -1.8 24.5 28 28 A M T 3 S+ 0 0 53 1,-0.2 2,-0.3 23,-0.1 -1,-0.3 0.764 118.4 98.2 62.2 29.7 16.9 -1.9 24.1 29 29 A K E < S-D 26 0A 136 -3,-1.3 -3,-2.4 69,-0.1 2,-0.5 -0.989 77.7-118.9-143.3 149.5 16.7 -1.0 20.4 30 30 A Y E -D 25 0A 7 69,-0.4 -5,-0.2 -2,-0.3 69,-0.1 -0.800 30.4-146.4 -79.1 126.5 17.0 1.9 18.1 31 31 A E S S+ 0 0 103 -7,-3.3 -6,-0.1 -2,-0.5 -1,-0.1 0.505 93.5 38.5 -86.3 -2.2 13.5 2.0 16.5 32 32 A T S S+ 0 0 54 -8,-0.4 3,-0.3 1,-0.1 -1,-0.3 -0.641 72.4 167.6-130.0 78.5 14.7 3.2 13.1 33 33 A P S S+ 0 0 70 0, 0.0 68,-1.7 0, 0.0 2,-0.3 0.618 73.2 42.4 -76.7 -10.1 17.9 1.2 12.8 34 34 A E E S+f 101 0B 100 66,-0.2 2,-0.4 -3,-0.1 68,-0.2 -0.743 80.8 179.4-128.5 84.4 18.4 1.9 9.1 35 35 A L E -f 102 0B 18 66,-2.2 68,-3.3 -3,-0.3 2,-0.5 -0.734 14.7-154.3 -93.8 128.2 17.5 5.6 8.7 36 36 A H E +f 103 0B 91 -2,-0.4 2,-0.2 66,-0.2 68,-0.2 -0.919 27.1 151.3-104.9 126.2 17.8 7.3 5.4 37 37 A V E -f 104 0B 5 66,-2.7 68,-2.8 -2,-0.5 2,-0.3 -0.746 36.3-114.3-133.8-179.4 18.4 11.1 5.3 38 38 A K > - 0 0 135 66,-0.3 3,-2.5 67,-0.3 44,-0.2 -0.821 46.2 -74.4-117.6 160.0 20.0 13.5 2.9 39 39 A V T 3 S+ 0 0 74 -2,-0.3 44,-0.2 1,-0.3 3,-0.1 -0.297 120.9 29.7 -50.6 130.5 23.1 15.7 3.2 40 40 A G T 3 S+ 0 0 48 42,-3.1 -1,-0.3 1,-0.3 2,-0.2 0.193 89.6 130.9 100.2 -15.7 22.3 18.6 5.5 41 41 A D < - 0 0 59 -3,-2.5 41,-2.5 41,-0.3 2,-0.4 -0.449 49.6-139.6 -73.7 148.2 19.7 16.8 7.6 42 42 A T E - E 0 81A 53 39,-0.3 -21,-0.7 -2,-0.2 2,-0.4 -0.888 13.8-159.1-101.7 131.9 19.7 16.8 11.4 43 43 A V E -cE 21 80A 0 37,-2.9 37,-2.5 -2,-0.4 2,-0.5 -0.942 3.5-161.7-107.9 136.8 18.8 13.5 13.2 44 44 A T E -cE 22 79A 6 -23,-2.7 -21,-2.5 -2,-0.4 2,-0.4 -0.979 2.7-157.1-122.9 122.1 17.6 13.6 16.8 45 45 A W E -cE 23 78A 0 33,-3.0 33,-2.0 -2,-0.5 2,-0.4 -0.777 8.3-165.7 -90.3 140.6 17.6 10.5 19.0 46 46 A I E -cE 24 77A 5 -23,-2.3 -21,-2.4 -2,-0.4 2,-0.6 -0.985 16.1-139.8-129.2 121.3 15.2 10.4 21.9 47 47 A N E -cE 25 76A 0 29,-2.5 28,-2.9 -2,-0.4 29,-0.5 -0.721 18.4-175.6 -76.9 118.9 15.6 7.8 24.7 48 48 A R + 0 0 89 -23,-2.9 2,-0.2 -2,-0.6 -1,-0.1 0.434 57.8 60.1 -93.2 -1.5 12.0 6.7 25.6 49 49 A E S S- 0 0 27 -24,-0.3 4,-0.1 2,-0.3 26,-0.1 -0.771 84.0-111.1-133.6 166.7 12.9 4.5 28.5 50 50 A A S S+ 0 0 67 -2,-0.2 24,-0.3 23,-0.1 -1,-0.1 0.843 90.4 91.1 -66.0 -38.2 14.5 4.5 32.0 51 51 A M S S- 0 0 38 22,-0.1 -2,-0.3 1,-0.1 -23,-0.1 -0.450 86.5-117.8 -58.3 127.5 17.5 2.5 30.9 52 52 A P + 0 0 12 0, 0.0 2,-0.3 0, 0.0 21,-0.2 -0.369 41.0 169.9 -69.7 150.1 20.2 4.9 29.9 53 53 A H B -J 72 0C 0 19,-1.7 19,-2.9 -4,-0.1 2,-0.2 -0.923 11.1-178.2-143.5 168.7 21.5 4.8 26.3 54 54 A N - 0 0 3 -2,-0.3 2,-0.4 17,-0.2 17,-0.1 -0.833 29.3-108.5-146.2-170.9 23.6 6.9 23.9 55 55 A V - 0 0 0 -2,-0.2 14,-2.8 15,-0.2 2,-0.4 -0.986 31.9-173.3-123.8 141.7 24.8 6.9 20.3 56 56 A H E -GH 68 91B 24 35,-1.6 35,-2.1 -2,-0.4 2,-0.5 -0.979 11.6-167.4-144.2 120.2 28.5 6.1 19.6 57 57 A F E -G 67 0B 1 10,-2.6 10,-2.5 -2,-0.4 33,-0.1 -0.928 29.4-125.0-108.5 124.1 30.3 6.3 16.2 58 58 A V > - 0 0 74 -2,-0.5 3,-2.1 31,-0.3 4,-0.5 -0.159 43.8 -65.3 -72.2 166.7 33.7 4.6 16.3 59 59 A A T 3 S+ 0 0 65 1,-0.3 7,-0.2 2,-0.1 6,-0.2 -0.228 121.9 20.6 -51.9 138.2 37.0 6.3 15.3 60 60 A G T 3 S+ 0 0 52 3,-1.8 -1,-0.3 5,-0.3 4,-0.1 0.235 99.4 93.8 87.4 -10.2 37.1 7.2 11.7 61 61 A V S < S+ 0 0 34 -3,-2.1 -2,-0.1 1,-0.1 3,-0.1 0.975 108.6 1.5 -79.7 -56.9 33.4 7.2 11.0 62 62 A L S S- 0 0 5 -4,-0.5 -60,-2.9 3,-0.3 -59,-0.5 0.443 138.6 -13.9-105.9 -5.0 32.4 10.9 11.6 63 63 A G S S- 0 0 13 -5,-0.3 -3,-1.8 -62,-0.2 -1,-0.2 -0.942 87.1 -71.0-179.3 178.5 36.0 12.2 12.4 64 64 A E S S+ 0 0 186 -2,-0.3 2,-0.2 -5,-0.2 -1,-0.0 0.797 117.5 39.3 -62.2 -31.7 39.5 11.1 13.2 65 65 A A S S- 0 0 68 -6,-0.2 -5,-0.3 1,-0.1 -3,-0.3 -0.686 102.0 -83.0-112.9 167.6 38.4 10.1 16.7 66 66 A A - 0 0 47 -2,-0.2 2,-0.6 -7,-0.2 -8,-0.2 -0.337 30.5-138.4 -62.0 149.9 35.3 8.4 17.9 67 67 A L E -G 57 0B 28 -10,-2.5 -10,-2.6 -4,-0.1 2,-0.8 -0.939 23.0-175.6-109.8 103.3 32.1 10.4 18.6 68 68 A K E -G 56 0B 95 -2,-0.6 -12,-0.2 -12,-0.2 3,-0.1 -0.895 18.3-142.6-100.2 108.7 30.8 9.0 21.9 69 69 A G - 0 0 5 -14,-2.8 24,-0.1 -2,-0.8 3,-0.1 -0.229 26.7 -89.3 -67.5 162.3 27.5 10.8 22.6 70 70 A P - 0 0 34 0, 0.0 -15,-0.2 0, 0.0 2,-0.2 -0.349 49.3 -89.2 -70.7 154.3 26.5 11.8 26.1 71 71 A M - 0 0 39 -17,-0.1 2,-0.5 -3,-0.1 -17,-0.2 -0.429 45.8-150.7 -60.7 129.3 24.5 9.4 28.3 72 72 A M B -J 53 0C 0 -19,-2.9 -19,-1.7 -2,-0.2 2,-0.1 -0.939 8.0-160.6-111.6 124.3 20.8 10.0 27.7 73 73 A K > - 0 0 111 -2,-0.5 3,-1.8 1,-0.2 -26,-0.3 -0.292 49.4 -50.8 -88.4-179.5 18.1 9.4 30.4 74 74 A K T 3 S+ 0 0 128 -24,-0.3 -26,-0.2 1,-0.3 -1,-0.2 -0.255 127.5 7.0 -56.7 133.3 14.4 8.9 29.9 75 75 A E T 3 S+ 0 0 81 -28,-2.9 -62,-2.5 1,-0.3 2,-0.3 0.766 98.8 131.5 59.5 32.6 12.9 11.6 27.6 76 76 A Q E < -BE 12 47A 51 -3,-1.8 -29,-2.5 -29,-0.5 2,-0.3 -0.868 40.2-156.4-108.7 149.7 16.3 13.1 26.8 77 77 A A E -BE 11 46A 0 -66,-2.8 -66,-2.4 -2,-0.3 2,-0.3 -0.822 12.8-172.6-125.1 158.6 17.4 13.9 23.2 78 78 A Y E - E 0 45A 6 -33,-2.0 -33,-3.0 -2,-0.3 2,-0.3 -0.968 12.1-157.0-154.7 138.6 20.6 14.3 21.3 79 79 A S E - E 0 44A 6 -72,-0.3 -72,-0.4 -2,-0.3 2,-0.3 -0.861 11.6-171.3-124.6 152.6 21.2 15.5 17.7 80 80 A L E - E 0 43A 0 -37,-2.5 -37,-2.9 -2,-0.3 2,-0.5 -0.998 15.5-146.6-136.5 140.6 23.7 15.3 14.9 81 81 A T E -AE 4 42A 24 -77,-2.7 -77,-1.8 -2,-0.3 2,-0.5 -0.936 18.3-145.5-107.2 118.3 23.7 17.2 11.6 82 82 A F E +A 3 0A 0 -41,-2.5 -42,-3.1 -2,-0.5 -41,-0.3 -0.767 23.3 172.2 -93.1 123.8 25.1 15.1 8.8 83 83 A T + 0 0 68 -81,-2.0 2,-0.4 -2,-0.5 -80,-0.1 0.341 57.6 56.4-113.5 4.4 27.1 17.0 6.1 84 84 A E S S- 0 0 87 -82,-0.6 20,-0.1 -46,-0.1 -1,-0.1 -0.997 81.3-112.6-143.6 132.1 28.7 14.4 3.9 85 85 A A + 0 0 53 -2,-0.4 2,-0.3 20,-0.1 20,-0.2 -0.353 68.5 86.3 -62.7 140.5 27.1 11.5 1.9 86 86 A G E S- I 0 104B 29 18,-1.9 18,-3.0 2,-0.0 2,-0.4 -0.932 77.5 -76.1 158.3-173.1 27.9 8.0 3.1 87 87 A T E - I 0 103B 72 -2,-0.3 2,-0.6 16,-0.2 16,-0.2 -0.988 38.1-166.9-120.2 128.2 26.7 5.4 5.6 88 88 A Y E - I 0 102B 8 14,-2.7 14,-2.3 -2,-0.4 2,-0.2 -0.942 3.9-159.4-123.6 107.1 27.5 5.9 9.2 89 89 A D E + I 0 101B 101 -2,-0.6 -31,-0.3 12,-0.2 2,-0.3 -0.523 15.1 175.7 -81.4 154.0 27.0 3.0 11.7 90 90 A Y E - 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