==== 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 04-MAY-04 1T5K . COMPND 2 MOLECULE: AMICYANIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS DENITRIFICANS; . AUTHOR C.J.CARRELL,X.WANG,L.JONES,W.L.JARRETT,V.L.DAVIDSON, . 420 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19489.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 287 68.3 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 . 126 30.0 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 . 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 . 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 . 63 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.6 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 . 8 16 0 0 2 2 4 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 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 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 0 164 0, 0.0 62,-0.2 0, 0.0 61,-0.1 0.000 360.0 360.0 360.0 129.5 -15.7 23.7 21.2 2 2 A K + 0 0 51 60,-3.3 81,-2.8 80,-0.0 82,-0.5 0.241 360.0 50.8-102.9 11.8 -15.3 23.4 24.9 3 3 A A E -A 82 0A 15 59,-0.4 2,-0.3 79,-0.2 79,-0.2 -0.996 58.4-155.5-147.3 152.0 -16.8 26.7 26.0 4 4 A T E -A 81 0A 75 77,-2.2 77,-3.1 -2,-0.3 -2,-0.0 -0.896 18.9-134.6-121.0 159.9 -19.9 28.7 25.4 5 5 A I - 0 0 45 -2,-0.3 3,-0.2 75,-0.2 75,-0.2 -0.936 11.0-166.9-123.8 105.9 -20.2 32.4 25.8 6 6 A P S S+ 0 0 82 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.877 86.3 18.2 -55.8 -42.7 -23.1 34.0 27.6 7 7 A S - 0 0 43 72,-0.4 72,-0.3 1,-0.1 4,-0.1 -0.974 60.4-159.8-137.8 116.6 -22.3 37.5 26.3 8 8 A E S S+ 0 0 137 -2,-0.4 -1,-0.1 -3,-0.2 70,-0.0 0.796 84.8 50.7 -63.0 -29.7 -20.0 38.2 23.3 9 9 A S S S- 0 0 78 1,-0.1 63,-0.1 60,-0.1 68,-0.1 -0.810 97.9 -98.2-107.2 154.5 -19.5 41.7 24.5 10 10 A P - 0 0 33 0, 0.0 2,-0.3 0, 0.0 68,-0.2 -0.222 36.5-161.4 -65.8 162.7 -18.4 42.8 28.0 11 11 A F E -B 77 0A 37 66,-1.8 66,-2.7 -4,-0.1 5,-0.1 -0.895 32.0 -74.2-142.1 161.4 -21.0 44.0 30.6 12 12 A A E > -B 76 0A 35 -2,-0.3 3,-2.0 64,-0.2 64,-0.3 -0.246 36.7-121.2 -62.4 147.7 -20.8 46.1 33.8 13 13 A A G > S+ 0 0 2 62,-2.5 3,-1.9 1,-0.3 324,-0.2 0.886 114.3 59.4 -50.9 -40.9 -19.3 44.5 37.0 14 14 A A G 3 S+ 0 0 85 61,-0.3 -1,-0.3 1,-0.3 323,-0.1 0.652 98.5 59.7 -64.3 -18.5 -22.6 45.3 38.7 15 15 A E G < S+ 0 0 133 -3,-2.0 -1,-0.3 321,-0.1 -2,-0.2 0.359 74.1 124.4 -92.9 0.9 -24.4 43.1 36.1 16 16 A V S < S- 0 0 7 -3,-1.9 321,-0.6 -4,-0.2 3,-0.1 -0.412 72.3-100.8 -60.3 136.4 -22.3 40.0 37.1 17 17 A A > - 0 0 62 1,-0.1 3,-1.9 319,-0.1 -1,-0.1 -0.314 33.5-101.0 -67.6 143.6 -24.8 37.2 38.0 18 18 A D T 3 S+ 0 0 92 1,-0.3 320,-0.2 -3,-0.1 321,-0.2 -0.428 112.9 26.1 -56.6 137.9 -25.6 36.3 41.5 19 19 A G T 3 S+ 0 0 49 318,-2.3 -1,-0.3 1,-0.2 319,-0.1 0.464 89.5 159.6 83.6 3.6 -23.6 33.2 42.4 20 20 A A < - 0 0 26 -3,-1.9 2,-0.7 317,-0.4 -1,-0.2 -0.146 45.1-128.7 -58.9 152.3 -20.9 33.9 39.8 21 21 A I E -c 43 0A 48 21,-0.7 23,-3.1 2,-0.0 2,-0.4 -0.923 39.9-157.7 -99.7 109.2 -17.5 32.4 40.1 22 22 A V E -c 44 0A 34 -2,-0.7 2,-0.5 21,-0.2 23,-0.2 -0.765 27.1-173.0-107.8 133.7 -15.3 35.5 39.8 23 23 A V E -c 45 0A 0 21,-2.2 23,-2.3 -2,-0.4 2,-0.2 -0.979 22.6-148.6-114.9 113.8 -11.7 36.1 38.8 24 24 A D E -c 46 0A 13 -2,-0.5 7,-3.1 219,-0.5 2,-0.5 -0.556 0.8-148.7 -78.8 147.2 -10.7 39.7 39.4 25 25 A I E +cD 47 30A 0 21,-2.6 23,-3.0 5,-0.2 24,-0.5 -0.984 40.0 136.5-114.7 117.8 -8.1 41.4 37.1 26 26 A A E > + D 0 29A 4 3,-2.0 3,-1.2 -2,-0.5 210,-0.1 -0.981 53.6 23.5-157.4 154.6 -6.1 44.0 39.1 27 27 A K T 3 S- 0 0 77 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.860 128.7 -61.2 52.1 39.5 -2.5 45.1 39.5 28 28 A M T 3 S+ 0 0 26 1,-0.2 2,-0.3 23,-0.1 -1,-0.3 0.818 117.1 92.0 58.0 39.6 -1.7 43.7 36.1 29 29 A K E < S-D 26 0A 36 -3,-1.2 -3,-2.0 69,-0.1 2,-0.7 -0.993 83.7-107.3-156.6 156.4 -2.6 40.1 37.0 30 30 A Y E -D 25 0A 5 69,-0.3 -5,-0.2 -2,-0.3 69,-0.1 -0.829 36.0-148.9 -81.1 116.3 -5.3 37.6 37.2 31 31 A E S S+ 0 0 3 -7,-3.1 -1,-0.1 -2,-0.7 -6,-0.1 0.673 91.6 39.3 -75.7 -15.3 -6.0 37.6 40.9 32 32 A T S S+ 0 0 10 -8,-0.4 -1,-0.3 1,-0.1 69,-0.2 -0.832 72.8 173.6-122.2 85.0 -7.0 34.0 41.1 33 33 A P S S+ 0 0 53 0, 0.0 68,-2.2 0, 0.0 2,-0.4 0.694 72.4 42.6 -75.2 -12.5 -4.5 32.6 38.6 34 34 A E E S+f 101 0B 70 66,-0.2 2,-0.4 -3,-0.1 214,-0.2 -0.889 75.7 177.9-132.7 98.5 -5.5 28.9 39.4 35 35 A L E -f 102 0B 20 66,-2.2 68,-3.4 -2,-0.4 2,-0.5 -0.858 15.2-152.5-104.3 131.7 -9.3 28.6 39.6 36 36 A H E +f 103 0B 63 -2,-0.4 2,-0.2 66,-0.2 68,-0.2 -0.943 27.7 152.1-108.9 125.2 -11.0 25.2 40.1 37 37 A V E -f 104 0B 6 66,-2.5 68,-2.8 -2,-0.5 2,-0.3 -0.815 37.7-104.7-136.0 180.0 -14.5 24.7 38.8 38 38 A K > - 0 0 137 67,-0.3 3,-2.6 66,-0.3 44,-0.2 -0.742 47.1 -81.0-108.7 155.2 -16.8 21.8 37.6 39 39 A V T 3 S+ 0 0 72 -2,-0.3 44,-0.2 1,-0.3 3,-0.1 -0.295 120.4 26.3 -52.5 129.2 -17.9 20.8 34.1 40 40 A G T 3 S+ 0 0 45 42,-3.0 -1,-0.3 1,-0.3 43,-0.1 0.231 91.7 131.5 99.4 -14.8 -20.8 23.1 33.1 41 41 A D < - 0 0 34 -3,-2.6 41,-2.4 41,-0.2 2,-0.4 -0.392 51.4-134.1 -70.7 147.3 -19.7 26.0 35.4 42 42 A T E - E 0 81A 50 39,-0.3 -21,-0.7 -2,-0.1 2,-0.4 -0.898 14.8-158.1 -99.5 130.8 -19.5 29.6 34.2 43 43 A V E -cE 21 80A 0 37,-2.8 37,-2.2 -2,-0.4 2,-0.5 -0.904 4.9-159.1-106.0 139.4 -16.4 31.7 35.1 44 44 A T E -cE 22 79A 5 -23,-3.1 -21,-2.2 -2,-0.4 2,-0.3 -0.975 1.7-157.4-124.2 119.3 -16.7 35.5 35.1 45 45 A W E -cE 23 78A 0 33,-2.8 33,-1.9 -2,-0.5 2,-0.4 -0.704 8.4-165.3 -87.2 143.6 -13.6 37.8 34.8 46 46 A I E -cE 24 77A 0 -23,-2.3 -21,-2.6 -2,-0.3 2,-0.5 -0.966 12.5-142.6-130.8 124.8 -14.0 41.3 36.1 47 47 A N E +cE 25 76A 0 29,-2.8 28,-2.3 -2,-0.4 29,-0.6 -0.700 17.8 179.8 -87.5 120.4 -11.5 44.0 35.3 48 48 A R + 0 0 26 -23,-3.0 2,-0.2 -2,-0.5 -22,-0.2 0.536 54.9 73.8 -94.6 -8.7 -10.9 46.4 38.2 49 49 A E S S- 0 0 40 -24,-0.5 4,-0.1 2,-0.3 26,-0.1 -0.618 81.9-117.4-117.0 163.1 -8.4 48.7 36.7 50 50 A A S S+ 0 0 78 -2,-0.2 24,-0.3 24,-0.1 -1,-0.1 0.817 94.3 84.8 -61.8 -34.2 -8.2 51.5 34.2 51 51 A M S S- 0 0 89 22,-0.1 -2,-0.3 1,-0.1 -23,-0.1 -0.613 86.4-126.5 -67.5 119.7 -6.0 49.5 31.9 52 52 A P + 0 0 42 0, 0.0 2,-0.3 0, 0.0 21,-0.2 -0.361 34.1 176.6 -65.7 153.0 -8.3 47.3 29.7 53 53 A H B -J 72 0C 0 19,-1.6 19,-3.1 -4,-0.1 2,-0.2 -0.971 10.9-169.0-148.4 161.3 -7.5 43.5 29.6 54 54 A N - 0 0 3 -2,-0.3 2,-0.4 17,-0.2 17,-0.1 -0.645 26.0-110.9-132.8-172.3 -9.1 40.4 28.0 55 55 A V - 0 0 0 -2,-0.2 14,-2.6 15,-0.2 2,-0.4 -0.975 30.3-170.5-124.6 143.5 -8.7 36.7 28.3 56 56 A H E -GH 68 91B 25 35,-1.6 35,-1.9 -2,-0.4 2,-0.5 -0.989 9.6-166.7-143.6 120.1 -7.2 34.7 25.3 57 57 A F E -G 67 0B 0 10,-2.6 10,-2.5 -2,-0.4 33,-0.1 -0.945 26.5-129.0-107.1 125.3 -7.1 30.9 24.9 58 58 A V >> - 0 0 71 -2,-0.5 3,-1.4 31,-0.3 4,-0.6 -0.168 40.3 -71.3 -75.4 168.7 -4.7 29.8 22.1 59 59 A A T 34 S+ 0 0 62 1,-0.2 5,-0.2 2,-0.1 6,-0.2 -0.336 122.4 33.1 -55.5 134.7 -5.7 27.4 19.3 60 60 A G T 34 S+ 0 0 58 3,-2.5 -1,-0.2 5,-0.3 4,-0.2 0.469 102.8 80.3 94.7 5.2 -6.1 23.9 20.8 61 61 A V T <4 S+ 0 0 25 -3,-1.4 -2,-0.1 2,-0.4 3,-0.1 0.842 108.5 10.5-107.6 -62.5 -7.3 24.9 24.2 62 62 A L S < S- 0 0 6 -4,-0.6 -60,-3.3 3,-0.3 -59,-0.4 0.408 136.2 -45.7 -96.2 -2.4 -11.1 25.7 23.9 63 63 A G S S- 0 0 12 -5,-0.3 -3,-2.5 -62,-0.2 -2,-0.4 -0.967 83.1 -53.8 164.9-166.0 -11.3 24.3 20.5 64 64 A E S S+ 0 0 185 -2,-0.3 2,-0.2 -5,-0.2 -1,-0.1 0.887 117.6 57.1 -68.4 -41.1 -9.5 24.3 17.1 65 65 A A S S- 0 0 72 -6,-0.2 -3,-0.3 1,-0.1 -5,-0.3 -0.617 93.2-106.6 -91.3 152.9 -9.5 28.1 16.9 66 66 A A - 0 0 51 -2,-0.2 2,-0.5 -7,-0.2 -8,-0.2 -0.380 26.2-138.5 -64.0 152.8 -8.1 30.5 19.5 67 67 A L E -G 57 0B 32 -10,-2.5 -10,-2.6 -4,-0.1 2,-0.8 -0.961 19.6-174.2-117.3 105.9 -10.7 32.4 21.5 68 68 A K E -G 56 0B 137 -2,-0.5 -12,-0.2 -12,-0.2 24,-0.1 -0.899 17.9-146.8-100.9 104.6 -9.6 36.0 21.9 69 69 A G - 0 0 6 -14,-2.6 24,-0.1 -2,-0.8 2,-0.1 -0.214 22.6 -93.0 -69.4 165.2 -12.0 37.6 24.3 70 70 A P - 0 0 37 0, 0.0 2,-0.3 0, 0.0 -15,-0.2 -0.425 46.8 -93.6 -76.3 154.6 -13.1 41.2 24.1 71 71 A M - 0 0 63 -17,-0.1 2,-0.6 -2,-0.1 -17,-0.2 -0.517 34.6-146.7 -69.8 127.6 -11.3 43.9 26.0 72 72 A M B -J 53 0C 0 -19,-3.1 -19,-1.6 -2,-0.3 3,-0.1 -0.856 12.2-152.7 -92.9 120.5 -12.9 44.6 29.4 73 73 A K > - 0 0 120 -2,-0.6 3,-1.5 -21,-0.2 -26,-0.3 -0.245 50.1 -50.0 -76.6-178.2 -12.6 48.3 30.3 74 74 A K T 3 S+ 0 0 113 -24,-0.3 -26,-0.2 1,-0.3 -1,-0.2 -0.281 131.0 8.9 -57.2 134.9 -12.6 49.3 34.0 75 75 A E T 3 S+ 0 0 70 -28,-2.3 -62,-2.5 1,-0.2 2,-0.3 0.819 102.2 125.7 57.8 36.5 -15.5 47.7 35.9 76 76 A Q E < -BE 12 47A 57 -3,-1.5 -29,-2.8 -29,-0.6 2,-0.3 -0.895 40.6-160.7-120.4 157.7 -16.4 45.5 33.0 77 77 A A E -BE 11 46A 0 -66,-2.7 -66,-1.8 -2,-0.3 2,-0.3 -0.858 9.8-165.4-136.1 164.2 -16.8 41.7 33.0 78 78 A Y E - E 0 45A 4 -33,-1.9 -33,-2.8 -2,-0.3 2,-0.3 -0.981 11.2-152.5-156.4 138.4 -16.9 38.7 30.6 79 79 A S E - E 0 44A 8 -72,-0.3 -72,-0.4 -2,-0.3 2,-0.4 -0.877 10.0-174.0-120.2 150.4 -18.0 35.1 31.1 80 80 A L E - E 0 43A 0 -37,-2.2 -37,-2.8 -2,-0.3 2,-0.6 -1.000 16.4-145.5-137.3 136.8 -17.2 31.7 29.6 81 81 A T E -AE 4 42A 20 -77,-3.1 -77,-2.2 -2,-0.4 2,-0.5 -0.924 16.6-143.4-103.1 120.4 -19.0 28.4 30.4 82 82 A F E -A 3 0A 0 -41,-2.4 -42,-3.0 -2,-0.6 -79,-0.2 -0.736 18.9-179.5 -89.2 121.7 -16.7 25.4 30.3 83 83 A T + 0 0 59 -81,-2.8 2,-0.3 -2,-0.5 -80,-0.2 0.353 61.7 44.9-108.2 9.0 -18.3 22.3 28.9 84 84 A E S S- 0 0 100 -82,-0.5 20,-0.1 -46,-0.1 -1,-0.1 -0.990 84.4-103.3-152.0 143.1 -15.5 19.8 29.2 85 85 A A + 0 0 51 -2,-0.3 2,-0.2 20,-0.1 20,-0.2 -0.172 65.9 95.9 -62.2 152.7 -13.0 18.8 31.8 86 86 A G E S- I 0 104B 30 18,-2.3 18,-3.3 2,-0.0 2,-0.6 -0.828 74.2 -80.1 151.4 176.3 -9.4 19.9 31.5 87 87 A T E - I 0 103B 80 -2,-0.2 2,-0.7 16,-0.2 16,-0.2 -0.962 42.8-162.7-112.4 118.2 -6.8 22.6 32.4 88 88 A Y E - 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