==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-MAY-09 2KIJ . COMPND 2 MOLECULE: COPPER-TRANSPORTING ATPASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.BANCI,I.BERTINI,F.CANTINI,M.MIGLIARDI,F.NUSHI,G.NATILE, . 119 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7741.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 72 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 26.1 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 . 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-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 0.8 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 . 6 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 1 1 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 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 PARALLEL BRIDGES PER LADDER . 1 2 4 0 0 1 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 1 0 1 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 S 0 0 116 0, 0.0 4,-0.3 0, 0.0 115,-0.0 0.000 360.0 360.0 360.0 -25.2 16.5 -4.9 14.7 2 2 A E >> + 0 0 169 2,-0.2 4,-2.0 3,-0.1 3,-1.0 0.864 360.0 54.4 -82.8 -38.8 17.3 -2.1 12.2 3 3 A A H 3> S+ 0 0 44 1,-0.2 4,-2.8 2,-0.2 -1,-0.1 0.910 96.8 66.7 -58.4 -42.3 14.5 -3.3 9.8 4 4 A L H 34 S+ 0 0 43 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.760 109.3 37.2 -51.4 -34.2 12.0 -3.1 12.7 5 5 A A H X> S+ 0 0 69 -3,-1.0 4,-0.9 -4,-0.3 3,-0.8 0.867 114.3 55.0 -79.3 -44.9 12.4 0.7 12.7 6 6 A K H 3X S+ 0 0 110 -4,-2.0 4,-1.5 1,-0.2 3,-0.4 0.830 91.4 74.4 -61.4 -34.5 12.7 1.1 8.8 7 7 A L H 3< S+ 0 0 15 -4,-2.8 3,-0.3 1,-0.2 -1,-0.2 0.859 101.8 41.2 -43.3 -49.8 9.3 -0.8 8.3 8 8 A I H X4 S+ 0 0 68 -3,-0.8 3,-1.3 -4,-0.3 -1,-0.2 0.804 106.8 61.9 -74.4 -30.4 7.4 2.3 9.4 9 9 A S H 3< S+ 0 0 101 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.808 91.0 70.3 -67.3 -27.6 9.7 4.8 7.6 10 10 A L T 3< S+ 0 0 51 -4,-1.5 -1,-0.2 -3,-0.3 77,-0.2 0.584 71.1 116.5 -64.7 -14.6 8.7 3.2 4.2 11 11 A Q < - 0 0 43 -3,-1.3 42,-0.1 -4,-0.1 -3,-0.0 -0.410 66.5-126.3 -63.4 129.3 5.1 4.6 4.4 12 12 A A - 0 0 23 39,-0.8 -1,-0.1 -2,-0.2 39,-0.0 -0.263 10.4-135.7 -68.5 158.6 4.2 7.1 1.6 13 13 A T S S+ 0 0 99 20,-0.1 21,-2.6 21,-0.1 2,-0.3 0.720 74.3 38.3 -98.3 -24.5 2.9 10.6 2.5 14 14 A E E -A 33 0A 103 19,-0.3 2,-0.3 20,-0.1 19,-0.2 -0.878 56.4-165.6-131.3 159.5 -0.1 11.3 0.1 15 15 A A E -A 32 0A 7 17,-2.4 17,-2.9 -2,-0.3 2,-0.7 -0.988 23.5-119.7-141.9 149.4 -3.0 9.4 -1.5 16 16 A T E -AB 31 44A 16 28,-0.6 28,-1.3 -2,-0.3 2,-0.3 -0.828 24.3-164.2 -95.0 109.2 -5.5 10.0 -4.4 17 17 A I E -AB 30 43A 21 13,-2.8 13,-2.8 -2,-0.7 2,-0.4 -0.682 7.2-154.0 -81.1 140.2 -9.3 10.0 -3.4 18 18 A V E -A 29 0A 31 24,-1.0 2,-0.4 -2,-0.3 24,-0.3 -0.983 11.2-171.5-124.7 127.0 -11.8 9.7 -6.2 19 19 A T E -A 28 0A 62 9,-2.9 9,-2.2 -2,-0.4 2,-0.3 -0.913 13.7-147.2-120.2 134.3 -15.3 11.0 -5.9 20 20 A L + 0 0 85 -2,-0.4 7,-0.2 7,-0.2 4,-0.1 -0.800 18.8 171.6-101.4 145.8 -18.4 10.7 -8.2 21 21 A D S S+ 0 0 135 2,-0.4 3,-0.1 5,-0.3 6,-0.1 0.330 72.2 24.3-144.1 5.1 -20.9 13.6 -8.5 22 22 A S S S- 0 0 92 1,-0.7 2,-0.2 4,-0.3 -2,-0.1 0.462 123.3 -52.6-133.3 -60.1 -23.5 13.0 -11.3 23 23 A D S > S- 0 0 113 3,-0.1 3,-2.2 0, 0.0 -1,-0.7 -0.857 78.3 -61.4-158.7-169.5 -23.7 9.2 -11.7 24 24 A N T 3 S+ 0 0 128 1,-0.3 0, 0.0 -2,-0.2 0, 0.0 0.650 126.9 77.3 -55.4 -14.0 -21.0 6.5 -12.3 25 25 A I T 3 S+ 0 0 141 1,-0.1 2,-0.5 -5,-0.0 -1,-0.3 0.653 87.4 64.6 -68.5 -22.6 -20.5 8.6 -15.5 26 26 A L < + 0 0 65 -3,-2.2 2,-0.4 2,-0.0 -5,-0.3 -0.945 58.5 178.2-116.3 128.5 -18.5 11.3 -13.6 27 27 A L + 0 0 117 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.996 1.8 175.8-130.2 127.7 -15.1 10.8 -11.9 28 28 A S E -A 19 0A 71 -9,-2.2 -9,-2.9 -2,-0.4 2,-0.3 -0.976 16.0-145.6-133.0 140.0 -13.2 13.6 -10.1 29 29 A E E -A 18 0A 117 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.788 12.7-171.5-116.1 149.2 -9.9 13.2 -8.1 30 30 A E E -A 17 0A 120 -13,-2.8 -13,-2.8 -2,-0.3 2,-0.5 -0.979 15.8-146.9-133.8 126.3 -8.2 14.8 -4.9 31 31 A Q E +A 16 0A 136 -2,-0.3 2,-0.3 -15,-0.3 -15,-0.2 -0.826 33.4 174.4 -87.0 126.8 -4.6 14.2 -3.7 32 32 A V E -A 15 0A 26 -17,-2.9 -17,-2.4 -2,-0.5 2,-0.1 -0.866 35.3 -91.2-130.5 162.2 -4.6 14.3 0.1 33 33 A D E >> -A 14 0A 99 -2,-0.3 3,-2.7 -19,-0.2 4,-0.6 -0.457 42.8-110.4 -74.0 147.5 -2.2 13.8 3.1 34 34 A V T 34 S+ 0 0 34 -21,-2.6 69,-0.5 1,-0.3 3,-0.3 0.720 116.9 59.2 -56.3 -23.9 -2.2 10.2 4.6 35 35 A E T 34 S+ 0 0 182 -22,-0.2 -1,-0.3 1,-0.2 -21,-0.1 0.623 102.9 54.1 -74.6 -13.7 -3.9 11.4 7.9 36 36 A L T <4 S+ 0 0 120 -3,-2.7 2,-0.3 2,-0.1 -2,-0.2 0.562 87.1 87.8-106.7 -13.4 -7.0 12.7 5.8 37 37 A V < - 0 0 12 -4,-0.6 2,-0.3 -3,-0.3 66,-0.2 -0.674 66.1-149.0 -83.0 142.4 -7.9 9.4 3.9 38 38 A Q > - 0 0 145 -2,-0.3 3,-2.3 64,-0.1 2,-0.9 -0.783 27.6-104.3-114.7 161.2 -10.3 7.0 5.7 39 39 A R T 3 S+ 0 0 151 1,-0.3 63,-0.1 -2,-0.3 59,-0.0 0.004 117.3 58.9 -76.3 31.3 -10.8 3.1 5.7 40 40 A G T 3 S+ 0 0 70 -2,-0.9 -1,-0.3 61,-0.0 2,-0.2 0.236 86.9 97.2-131.7 0.2 -14.0 3.6 3.5 41 41 A D < - 0 0 44 -3,-2.3 58,-2.1 58,-0.1 2,-0.4 -0.503 65.1-135.6 -89.7 160.4 -12.2 5.4 0.5 42 42 A I E - C 0 98A 79 -24,-0.3 -24,-1.0 56,-0.2 2,-0.4 -0.987 26.7-157.0-118.8 128.6 -11.0 3.8 -2.9 43 43 A I E -BC 17 97A 18 54,-3.1 54,-2.7 -2,-0.4 2,-0.2 -0.883 11.0-132.9-120.3 136.5 -7.5 5.0 -4.0 44 44 A K E -BC 16 96A 70 -28,-1.3 -28,-0.6 -2,-0.4 2,-0.4 -0.573 15.0-163.8 -78.1 143.8 -5.5 5.3 -7.3 45 45 A V - 0 0 15 50,-1.7 50,-0.4 -2,-0.2 6,-0.1 -0.999 11.1-155.5-130.1 132.7 -1.9 4.1 -7.7 46 46 A V > - 0 0 82 -2,-0.4 3,-1.8 48,-0.1 2,-0.4 -0.468 36.1 -71.9-102.5 167.0 0.2 5.2 -10.7 47 47 A P T 3 S+ 0 0 77 0, 0.0 44,-0.2 0, 0.0 -1,-0.1 -0.497 124.4 11.1 -61.1 120.8 3.3 3.8 -12.6 48 48 A G T 3 S+ 0 0 39 42,-2.3 43,-0.2 -2,-0.4 2,-0.1 0.271 99.7 134.7 90.6 -6.2 6.2 4.3 -10.2 49 49 A G < - 0 0 18 -3,-1.8 41,-2.9 40,-0.1 -1,-0.3 -0.341 46.7-134.3 -75.2 154.4 4.1 5.2 -7.2 50 50 A K B -F 89 0B 135 39,-0.2 39,-0.2 -2,-0.1 -4,-0.1 -0.772 19.5-111.6-109.1 152.9 4.5 3.9 -3.6 51 51 A F - 0 0 9 37,-1.8 36,-2.7 -2,-0.3 -39,-0.8 -0.717 19.4-172.1 -89.1 126.8 1.8 2.6 -1.2 52 52 A P S S+ 0 0 13 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.716 76.6 9.9 -84.2 -22.2 0.9 4.6 2.1 53 53 A V S S- 0 0 15 32,-0.1 2,-0.2 -42,-0.1 34,-0.1 -0.836 83.3 -97.7-143.6 170.5 -1.4 1.8 3.5 54 54 A D + 0 0 12 -2,-0.2 46,-0.5 31,-0.2 47,-0.5 -0.515 52.5 136.6 -84.3 166.6 -2.3 -1.9 2.9 55 55 A G E -DE 84 99A 5 29,-2.1 29,-2.7 -2,-0.2 2,-0.3 -0.985 47.6 -74.0 175.0-175.5 -5.4 -2.9 0.9 56 56 A R E -DE 83 98A 124 42,-1.5 42,-2.4 -2,-0.3 2,-0.4 -0.800 38.5-132.5-105.3 142.3 -7.4 -5.0 -1.6 57 57 A V E +DE 82 97A 0 25,-3.1 24,-2.8 -2,-0.3 25,-1.2 -0.821 28.1 167.0-103.1 131.2 -7.1 -4.5 -5.4 58 58 A I + 0 0 67 38,-2.5 2,-0.2 -2,-0.4 39,-0.1 0.025 65.3 33.7-141.1 30.4 -10.2 -4.3 -7.7 59 59 A E S S+ 0 0 120 37,-0.4 37,-1.3 20,-0.2 -1,-0.2 -0.831 94.0 18.0-170.6 145.0 -8.9 -3.0 -11.1 60 60 A G - 0 0 12 -2,-0.2 34,-0.2 35,-0.2 35,-0.2 -0.080 59.7-108.9 88.5 179.6 -5.6 -3.5 -13.1 61 61 A H + 0 0 131 32,-1.9 33,-0.2 18,-0.2 -1,-0.1 -0.166 44.5 156.9-152.1 41.8 -2.6 -5.8 -13.3 62 62 A S - 0 0 0 31,-0.2 16,-2.0 15,-0.1 2,-0.5 -0.352 41.2-122.3 -75.9 156.5 0.7 -4.1 -12.0 63 63 A M E -GH 77 91B 96 28,-1.6 28,-0.7 29,-0.4 2,-0.4 -0.884 31.0-153.5 -96.7 127.2 3.8 -5.9 -10.8 64 64 A V E -GH 76 90B 0 12,-3.0 12,-2.1 -2,-0.5 2,-0.8 -0.882 10.4-139.3-112.9 129.0 4.6 -4.8 -7.2 65 65 A D E + H 0 89B 64 24,-2.2 24,-1.6 -2,-0.4 3,-0.1 -0.789 37.0 152.8 -91.7 105.6 8.1 -4.8 -5.6 66 66 A E >> + 0 0 19 -2,-0.8 4,-2.4 6,-0.3 5,-1.1 -0.034 21.6 133.2-117.8 23.6 7.7 -6.0 -1.9 67 67 A S T 45S+ 0 0 57 1,-0.2 -1,-0.1 4,-0.2 6,-0.1 0.618 78.5 36.8 -63.8 -18.6 11.3 -7.4 -1.5 68 68 A L T 45S+ 0 0 74 -3,-0.1 -1,-0.2 19,-0.1 -2,-0.1 0.845 119.8 47.5 -88.8 -48.9 11.9 -5.7 1.9 69 69 A I T 45S+ 0 0 27 1,-0.2 -2,-0.2 -4,-0.1 -3,-0.0 0.938 135.7 8.1 -61.9 -58.1 8.3 -6.1 3.3 70 70 A T T <5S- 0 0 70 -4,-2.4 -3,-0.2 2,-0.1 -1,-0.2 0.563 99.3-119.2-103.9 -12.4 7.6 -9.8 2.4 71 71 A G < + 0 0 50 -5,-1.1 2,-0.7 1,-0.2 -4,-0.2 0.356 59.1 150.5 88.6 -3.0 11.2 -10.8 1.3 72 72 A E - 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