==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-JAN-02 1KQK . COMPND 2 MOLECULE: POTENTIAL COPPER-TRANSPORTING ATPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR L.BANCI,I.BERTINI,S.CIOFI-BAFFONI,M.D'ONOFRIO,L.GONNELLI, . 80 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5479.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 54 67.5 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 . 21 26.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.2 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 . 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 1.2 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 . 6 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 26.2 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 1 0 0 0 1 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 . 0 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 M 0 0 234 0, 0.0 47,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -94.5 3.4 16.9 8.6 2 2 A T - 0 0 75 1,-0.1 2,-0.3 44,-0.1 46,-0.2 0.061 360.0-116.9 54.4-177.1 3.2 13.3 7.2 3 3 A E E -A 47 0A 68 44,-2.4 44,-2.4 2,-0.0 2,-0.4 -0.962 8.3-133.8-146.9 152.4 3.1 12.8 3.4 4 4 A K E -A 46 0A 83 69,-0.4 2,-0.3 -2,-0.3 42,-0.2 -0.852 23.8-175.8 -98.8 142.7 0.5 11.3 1.0 5 5 A A E -A 45 0A 7 40,-2.8 40,-2.3 -2,-0.4 2,-0.4 -0.983 11.3-151.9-143.1 139.3 1.8 8.8 -1.6 6 6 A E E -AB 44 72A 3 66,-3.2 65,-2.9 -2,-0.3 66,-2.5 -0.974 16.6-178.4-126.3 129.1 -0.4 7.3 -4.3 7 7 A F E -AB 43 70A 5 36,-2.7 36,-2.7 -2,-0.4 2,-0.4 -0.950 24.7-128.8-134.7 150.0 0.5 3.9 -5.8 8 8 A D E -AB 42 69A 26 61,-2.2 61,-1.4 -2,-0.3 2,-0.4 -0.858 24.5-154.5-103.7 127.0 -1.0 1.6 -8.5 9 9 A I E - B 0 68A 0 32,-2.9 2,-0.5 -2,-0.4 59,-0.2 -0.931 7.8-168.1-111.0 131.0 -1.7 -2.0 -7.5 10 10 A E E + B 0 67A 100 57,-2.4 57,-2.5 -2,-0.4 3,-0.1 -0.968 66.0 25.0-121.4 123.8 -1.8 -4.9 -9.9 11 11 A G S S+ 0 0 46 -2,-0.5 2,-2.3 55,-0.2 3,-0.1 0.073 71.1 124.1 121.8 -19.5 -3.1 -8.4 -9.0 12 12 A M + 0 0 9 1,-0.2 6,-0.2 55,-0.2 -1,-0.1 -0.412 26.2 163.6 -73.1 74.3 -5.6 -7.8 -6.1 13 13 A T + 0 0 128 -2,-2.3 2,-0.3 4,-0.1 -1,-0.2 0.675 59.9 50.8 -73.2 -18.9 -8.6 -9.5 -7.9 14 14 A C S >> S- 0 0 56 -3,-0.1 4,-1.4 1,-0.1 3,-0.8 -0.885 83.9-123.0-119.0 153.1 -10.5 -9.7 -4.6 15 15 A A H 3> S+ 0 0 66 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.842 113.4 62.8 -59.4 -30.6 -11.4 -7.1 -1.9 16 16 A A H 3> S+ 0 0 39 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.853 98.2 55.2 -63.9 -35.3 -9.6 -9.5 0.6 17 17 A C H <> S+ 0 0 22 -3,-0.8 4,-1.7 2,-0.2 -2,-0.2 0.975 110.6 45.0 -55.7 -58.4 -6.3 -9.0 -1.3 18 18 A A H >X S+ 0 0 4 -4,-1.4 4,-2.1 1,-0.2 3,-0.6 0.939 112.4 50.7 -49.9 -54.8 -6.7 -5.2 -0.9 19 19 A N H 3X S+ 0 0 99 -4,-2.9 4,-2.6 1,-0.3 -1,-0.2 0.864 105.3 57.7 -55.3 -38.4 -7.6 -5.6 2.8 20 20 A R H 3X S+ 0 0 140 -4,-2.2 4,-2.5 2,-0.2 -1,-0.3 0.894 105.3 50.8 -60.1 -40.0 -4.5 -7.8 3.3 21 21 A I H < S+ 0 0 2 -4,-3.3 3,-2.1 1,-0.3 -2,-0.2 0.932 107.6 51.5 -54.5 -50.7 0.6 -1.4 5.7 26 26 A N H 3< S+ 0 0 112 -4,-3.1 -1,-0.3 1,-0.3 5,-0.2 0.825 103.6 60.5 -52.6 -37.4 -0.9 -0.9 9.2 27 27 A K H 3< S+ 0 0 159 -4,-1.4 2,-0.3 -3,-0.4 -1,-0.3 0.600 85.9 95.1 -70.2 -14.0 1.8 -3.3 10.5 28 28 A I S X< S- 0 0 28 -3,-2.1 3,-1.0 -4,-0.5 2,-0.3 -0.637 85.1-113.5 -80.3 140.3 4.5 -0.8 9.2 29 29 A E T 3 S+ 0 0 152 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.579 95.6 17.9 -81.7 126.4 5.8 1.6 11.9 30 30 A G T 3 S+ 0 0 25 -2,-0.3 18,-1.9 1,-0.3 2,-0.3 0.679 85.2 141.8 82.0 23.8 4.9 5.3 11.3 31 31 A V E < -C 47 0A 35 -3,-1.0 -1,-0.3 16,-0.2 16,-0.3 -0.682 33.5-169.1 -80.7 145.2 2.1 4.7 8.9 32 32 A A E - 0 0 52 14,-2.8 2,-0.3 1,-0.5 15,-0.2 0.802 62.7 -43.4 -97.1 -51.0 -0.9 7.0 9.2 33 33 A N E -C 46 0A 65 13,-2.4 13,-3.2 2,-0.0 -1,-0.5 -0.945 43.6-172.9-170.4 173.0 -3.3 5.2 6.9 34 34 A A - 0 0 4 11,-0.3 2,-0.3 -2,-0.3 11,-0.2 -0.080 9.8-176.4-179.2 61.1 -3.5 3.5 3.5 35 35 A P - 0 0 72 0, 0.0 9,-1.1 0, 0.0 2,-0.4 -0.576 25.6-132.4 -74.6 128.0 -7.0 2.4 2.2 36 36 A V E -D 43 0A 16 -2,-0.3 2,-1.0 7,-0.2 7,-0.3 -0.693 15.9-139.6 -84.4 127.5 -6.8 0.5 -1.1 37 37 A N E >> -D 42 0A 71 5,-2.6 2,-2.4 -2,-0.4 4,-1.2 -0.733 6.6-156.8-100.6 98.2 -9.4 1.8 -3.6 38 38 A F T 45S+ 0 0 121 -2,-1.0 -1,-0.1 1,-0.2 5,-0.1 -0.410 82.3 48.8 -72.7 71.8 -11.0 -1.1 -5.6 39 39 A A T 45S+ 0 0 88 -2,-2.4 -1,-0.2 3,-0.1 -2,-0.0 0.029 113.0 35.5-159.6 -57.4 -12.1 1.0 -8.7 40 40 A L T 45S- 0 0 92 -3,-0.4 -2,-0.1 2,-0.2 3,-0.1 0.517 104.0-122.5 -83.4 -10.2 -9.1 3.1 -9.9 41 41 A E T <5S+ 0 0 108 -4,-1.2 -32,-2.9 1,-0.3 2,-0.3 0.706 74.0 115.7 76.6 27.4 -6.8 0.2 -9.0 42 42 A T E < -AD 8 37A 2 -5,-0.9 -5,-2.6 -34,-0.3 2,-0.4 -0.809 54.4-147.8-126.6 156.0 -4.8 2.6 -6.7 43 43 A V E -AD 7 36A 0 -36,-2.7 -36,-2.7 -2,-0.3 2,-0.7 -0.979 9.9-147.1-121.6 142.5 -4.0 3.1 -3.0 44 44 A T E -A 6 0A 40 -9,-1.1 2,-0.4 -2,-0.4 -38,-0.2 -0.914 22.3-164.4-106.5 96.1 -3.4 6.4 -1.3 45 45 A V E -A 5 0A 0 -40,-2.3 -40,-2.8 -2,-0.7 2,-0.4 -0.713 4.3-165.4 -83.5 133.5 -0.8 5.7 1.4 46 46 A E E +AC 4 33A 55 -13,-3.2 -14,-2.8 -2,-0.4 -13,-2.4 -0.989 31.1 122.1-121.6 124.6 -0.4 8.3 4.2 47 47 A Y E -AC 3 31A 7 -44,-2.4 -44,-2.4 -2,-0.4 -16,-0.2 -0.872 58.5 -90.2-158.7-175.5 2.7 8.0 6.4 48 48 A N >> - 0 0 50 -18,-1.9 2,-2.5 -46,-0.2 4,-1.3 -0.987 27.4-133.6-114.5 129.6 5.9 9.8 7.6 49 49 A P T 34 S+ 0 0 79 0, 0.0 4,-0.1 0, 0.0 -19,-0.1 -0.430 94.4 68.2 -77.4 66.2 9.2 9.4 5.7 50 50 A K T 34 S+ 0 0 164 -2,-2.5 -20,-0.1 2,-0.2 3,-0.0 0.365 107.8 22.0-144.9 -60.1 11.1 8.8 8.9 51 51 A E T <4 S+ 0 0 108 -3,-0.5 -22,-0.2 -21,-0.2 2,-0.2 0.749 132.8 27.1 -88.0 -27.9 10.1 5.4 10.5 52 52 A A < - 0 0 2 -4,-1.3 2,-0.3 -22,-0.3 -2,-0.2 -0.683 67.9-156.6-123.5 174.9 8.8 4.0 7.1 53 53 A S > - 0 0 53 -2,-0.2 4,-2.5 -4,-0.1 5,-0.3 -0.984 30.7-117.9-153.4 155.2 9.5 4.5 3.4 54 54 A V H > S+ 0 0 62 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.919 117.8 50.9 -55.6 -47.7 7.7 4.0 0.1 55 55 A S H > S+ 0 0 88 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.851 110.4 50.1 -59.0 -39.3 10.4 1.5 -1.0 56 56 A D H > S+ 0 0 87 2,-0.2 4,-2.0 1,-0.2 3,-0.5 0.992 113.6 42.2 -65.7 -59.0 10.0 -0.5 2.3 57 57 A L H X S+ 0 0 3 -4,-2.5 4,-2.6 1,-0.3 5,-0.2 0.845 107.6 63.6 -62.2 -32.5 6.2 -0.8 2.1 58 58 A K H X S+ 0 0 73 -4,-2.5 4,-2.9 -5,-0.3 -1,-0.3 0.953 105.9 44.5 -49.6 -54.1 6.6 -1.6 -1.6 59 59 A E H X S+ 0 0 111 -4,-1.7 4,-3.0 -3,-0.5 -2,-0.2 0.886 110.2 56.0 -59.0 -39.9 8.5 -4.7 -0.6 60 60 A A H < S+ 0 0 7 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.875 110.6 44.1 -61.9 -39.5 5.8 -5.4 2.1 61 61 A V H >X S+ 0 0 0 -4,-2.6 3,-2.1 2,-0.2 4,-0.9 0.956 112.3 51.4 -66.8 -50.8 3.1 -5.3 -0.6 62 62 A D H >< S+ 0 0 61 -4,-2.9 3,-1.2 1,-0.3 -2,-0.2 0.904 100.3 65.6 -54.1 -39.3 5.2 -7.4 -3.0 63 63 A K T 3< S+ 0 0 131 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.745 98.9 52.6 -50.8 -31.9 5.6 -9.9 -0.0 64 64 A L T <4 S- 0 0 60 -3,-2.1 -1,-0.3 -4,-0.5 -2,-0.2 0.759 120.4-111.0 -80.1 -27.6 1.8 -10.5 -0.3 65 65 A G S << S+ 0 0 51 -3,-1.2 -3,-0.1 -4,-0.9 -2,-0.1 -0.372 82.5 99.4 135.0 -54.8 2.1 -11.3 -4.1 66 66 A Y S S- 0 0 20 -5,-0.2 -1,-0.5 1,-0.1 -55,-0.2 -0.239 72.1-112.4 -63.6 155.3 0.4 -8.5 -6.1 67 67 A K E -B 10 0A 124 -57,-2.5 -57,-2.4 -3,-0.1 2,-0.3 -0.530 28.5-168.8 -91.3 156.4 2.6 -5.8 -7.6 68 68 A L E +B 9 0A 6 -59,-0.2 2,-0.3 -2,-0.2 -59,-0.2 -0.971 9.0 168.5-143.8 151.8 2.7 -2.1 -6.7 69 69 A K E -B 8 0A 107 -61,-1.4 -61,-2.2 -2,-0.3 2,-0.0 -0.932 42.5 -70.7-154.8 166.5 4.3 1.0 -8.3 70 70 A L E +B 7 0A 124 -2,-0.3 -63,-0.3 -63,-0.2 3,-0.1 -0.306 42.5 162.6 -64.4 149.1 4.2 4.8 -8.0 71 71 A K E - 0 0 61 -65,-2.9 -64,-0.3 1,-0.5 2,-0.3 0.518 59.0 -58.0-129.6 -45.9 1.1 6.8 -9.0 72 72 A G E -B 6 0A 21 -66,-2.5 -66,-3.2 4,-0.0 -1,-0.5 -0.919 29.1-130.6-179.6-164.7 1.4 10.2 -7.3 73 73 A E S S+ 0 0 143 -68,-0.3 -69,-0.4 -2,-0.3 -29,-0.0 0.063 84.2 66.8-166.2 31.9 1.7 12.0 -4.0 74 74 A Q S S- 0 0 142 -71,-0.1 -69,-0.1 0, 0.0 -71,-0.0 -0.202 110.5 -88.1-159.1 54.4 -0.9 14.8 -3.8 75 75 A D S S+ 0 0 99 1,-0.1 -31,-0.0 2,-0.1 -70,-0.0 0.849 97.5 113.9 42.1 56.1 -4.4 13.3 -3.6 76 76 A S - 0 0 56 1,-0.1 2,-2.5 2,-0.0 -1,-0.1 0.691 41.6-179.0-127.7 -43.6 -4.6 13.3 -7.4 77 77 A I - 0 0 50 -34,-0.1 -1,-0.1 1,-0.0 -2,-0.1 -0.404 24.9-161.7 71.1 -68.2 -4.7 9.7 -8.7 78 78 A E + 0 0 135 -2,-2.5 2,-0.3 1,-0.1 -1,-0.0 0.397 28.4 124.0 65.4 155.7 -4.7 10.5 -12.4 79 79 A G 0 0 69 1,-0.1 -1,-0.1 0, 0.0 -39,-0.0 -0.979 360.0 360.0 160.9-159.1 -5.8 8.3 -15.3 80 80 A R 0 0 317 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.0 0.410 360.0 360.0-122.3 360.0 -8.2 8.1 -18.2