==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-AUG-05 2ARF . COMPND 2 MOLECULE: WILSON DISEASE ATPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR O.DMITRIEV,R.TSIVKOVSKII,F.ABILDGAARD,C.T.MORGAN, . 165 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12337.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 100 60.6 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 . 36 21.8 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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-2), SAME NUMBER PER 100 RESIDUES . 2 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 . 11 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 1 0 0 1 0 0 1 2 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 . 0 0 0 1 1 1 2 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 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 1032 A A 0 0 167 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -60.6 -21.1 -23.0 17.8 2 1033 A G - 0 0 57 2,-0.1 2,-0.3 0, 0.0 0, 0.0 -0.803 360.0-129.8-142.5-177.6 -17.6 -22.1 18.9 3 1034 A H + 0 0 200 -2,-0.2 2,-0.3 2,-0.0 0, 0.0 -0.883 42.2 132.0-147.1 109.6 -14.8 -19.7 18.3 4 1035 A M - 0 0 158 -2,-0.3 -2,-0.1 0, 0.0 0, 0.0 -0.874 36.9-147.7-162.3 124.8 -11.2 -20.8 17.8 5 1036 A V - 0 0 100 -2,-0.3 -2,-0.0 1,-0.1 33,-0.0 -0.839 19.2-147.7 -98.6 128.3 -8.6 -19.9 15.2 6 1037 A P - 0 0 39 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.164 17.4-110.2 -75.1-162.8 -6.1 -22.6 14.2 7 1038 A R - 0 0 145 33,-0.1 157,-1.2 31,-0.1 2,-0.2 -0.951 26.9 -97.4-135.9 154.8 -2.5 -22.1 13.2 8 1039 A V E +A 163 0A 25 -2,-0.3 155,-0.3 155,-0.2 3,-0.1 -0.499 32.1 179.3 -72.5 136.9 -0.5 -22.4 10.0 9 1040 A M E - 0 0 115 153,-2.6 2,-0.3 1,-0.4 154,-0.2 0.789 61.8 -27.3-104.0 -44.1 1.4 -25.7 9.7 10 1041 A R E -A 162 0A 146 152,-2.4 152,-2.7 2,-0.0 -1,-0.4 -0.963 52.2-127.7-169.8 157.1 3.1 -25.4 6.3 11 1042 A V E -A 161 0A 98 -2,-0.3 2,-0.3 150,-0.2 150,-0.2 -0.935 19.1-160.0-117.9 139.0 2.7 -23.6 2.9 12 1043 A L E -A 160 0A 99 148,-2.5 148,-2.1 -2,-0.4 2,-0.3 -0.878 25.2-108.3-117.8 149.8 2.9 -25.3 -0.4 13 1044 A L E +A 159 0A 117 -2,-0.3 146,-0.3 146,-0.2 144,-0.0 -0.568 42.0 158.1 -77.5 136.1 3.6 -23.8 -3.8 14 1045 A L + 0 0 24 144,-1.8 145,-0.6 -2,-0.3 144,-0.5 0.050 54.6 70.2-144.7 22.5 0.6 -23.5 -6.2 15 1046 A G - 0 0 22 143,-1.0 143,-0.3 142,-0.3 2,-0.3 -0.231 58.3-157.1-119.5-151.9 1.8 -20.8 -8.5 16 1047 A D >> - 0 0 120 141,-0.3 4,-0.9 4,-0.2 3,-0.7 -0.918 34.7-108.2 175.9 162.8 4.4 -20.4 -11.2 17 1048 A V T 34 S+ 0 0 111 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 0.035 99.0 89.4 -94.0 24.8 6.5 -17.9 -13.1 18 1049 A A T 34 S+ 0 0 80 2,-0.1 -1,-0.2 1,-0.0 -3,-0.0 0.551 101.8 25.0 -94.7 -12.3 4.3 -18.5 -16.2 19 1050 A T T <4 S- 0 0 77 -3,-0.7 -2,-0.2 1,-0.5 -1,-0.0 0.645 135.2 -28.6-118.4 -35.2 1.9 -15.7 -15.1 20 1051 A L S < S- 0 0 78 -4,-0.9 -1,-0.5 4,-0.0 2,-0.3 -0.963 75.6 -69.4-173.6 168.3 4.2 -13.5 -12.9 21 1052 A P > - 0 0 50 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.543 28.8-147.2 -75.1 133.1 7.2 -13.5 -10.6 22 1053 A L H > S+ 0 0 61 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.769 99.2 61.7 -68.3 -26.0 6.8 -15.3 -7.3 23 1054 A R H > S+ 0 0 200 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.937 108.3 39.6 -64.6 -49.1 9.1 -12.7 -5.9 24 1055 A K H > S+ 0 0 118 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.935 117.4 49.0 -65.6 -48.1 6.9 -9.8 -6.7 25 1056 A V H X S+ 0 0 20 -4,-2.4 4,-3.4 1,-0.3 -2,-0.2 0.871 111.5 50.7 -58.6 -38.5 3.8 -11.8 -5.7 26 1057 A L H X S+ 0 0 82 -4,-2.5 4,-2.6 2,-0.2 -1,-0.3 0.841 106.1 56.5 -67.5 -34.3 5.5 -12.7 -2.5 27 1058 A A H X S+ 0 0 26 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.946 116.0 34.7 -61.6 -50.5 6.3 -9.0 -2.0 28 1059 A V H X S+ 0 0 8 -4,-2.3 4,-2.2 2,-0.2 5,-0.3 0.907 117.0 54.5 -70.1 -43.7 2.6 -8.1 -2.1 29 1060 A V H X S+ 0 0 32 -4,-3.4 4,-2.9 -5,-0.2 -2,-0.2 0.855 111.5 46.5 -57.5 -36.4 1.6 -11.3 -0.5 30 1061 A G H X S+ 0 0 2 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.850 106.5 57.6 -74.0 -36.6 4.0 -10.4 2.3 31 1062 A T H < S+ 0 0 5 -4,-1.8 4,-0.3 2,-0.2 -2,-0.2 0.879 119.2 31.3 -60.7 -40.0 2.7 -6.9 2.5 32 1063 A A H < S+ 0 0 14 -4,-2.2 4,-0.4 2,-0.2 -2,-0.2 0.868 117.0 56.9 -84.5 -42.2 -0.8 -8.2 3.2 33 1064 A E H >< S+ 0 0 42 -4,-2.9 3,-1.0 -5,-0.3 5,-0.3 0.904 113.7 40.2 -54.6 -45.5 0.3 -11.3 5.0 34 1065 A A T 3< S+ 0 0 27 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.717 99.3 76.8 -75.6 -22.2 2.2 -9.1 7.5 35 1066 A S T 3 S- 0 0 63 -4,-0.3 -1,-0.2 -5,-0.3 -2,-0.2 0.634 112.9-111.1 -62.1 -12.8 -0.7 -6.7 7.4 36 1067 A S S < S+ 0 0 68 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.1 0.090 70.5 133.2 94.6 152.0 -2.4 -9.3 9.6 37 1068 A E + 0 0 117 1,-0.3 -4,-0.1 -3,-0.1 -3,-0.1 0.053 66.2 61.6 159.2 -28.6 -5.3 -11.6 8.9 38 1069 A H S > S- 0 0 44 -5,-0.3 2,-1.9 -33,-0.0 4,-1.4 -0.973 77.8-125.8-127.1 140.1 -4.1 -15.0 10.2 39 1070 A P T 4 S+ 0 0 61 0, 0.0 -31,-0.1 0, 0.0 -34,-0.0 -0.155 113.3 8.2 -74.9 44.2 -3.1 -16.0 13.7 40 1071 A L T > S+ 0 0 57 -2,-1.9 4,-2.9 -33,-0.1 5,-0.1 0.057 112.0 80.2 174.1 -37.8 0.1 -17.2 12.3 41 1072 A G H > S+ 0 0 3 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.858 95.1 53.1 -56.9 -38.1 0.2 -16.1 8.7 42 1073 A V H X S+ 0 0 45 -4,-1.4 4,-3.3 2,-0.2 5,-0.2 0.933 112.7 42.4 -63.0 -47.9 1.3 -12.7 9.9 43 1074 A A H > S+ 0 0 49 -5,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.831 113.7 54.9 -67.1 -33.0 4.2 -14.1 11.9 44 1075 A V H X S+ 0 0 42 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.951 114.9 37.4 -64.4 -51.5 4.9 -16.4 8.9 45 1076 A T H X S+ 0 0 8 -4,-3.2 4,-2.9 2,-0.2 -2,-0.2 0.944 118.4 48.9 -65.3 -50.4 5.2 -13.6 6.5 46 1077 A K H X S+ 0 0 125 -4,-3.3 4,-2.1 -5,-0.2 -1,-0.2 0.861 113.6 49.9 -57.1 -37.4 6.9 -11.3 9.0 47 1078 A Y H X S+ 0 0 140 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.942 111.1 45.6 -66.6 -50.2 9.2 -14.2 9.7 48 1079 A C H X S+ 0 0 39 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.847 111.0 56.8 -61.3 -34.4 10.0 -14.9 6.1 49 1080 A K H X>S+ 0 0 18 -4,-2.9 5,-1.8 2,-0.2 4,-1.6 0.925 106.6 47.4 -62.2 -46.5 10.5 -11.1 5.7 50 1081 A E H <5S+ 0 0 155 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.852 115.1 46.2 -62.8 -35.9 13.1 -11.1 8.5 51 1082 A E H <5S+ 0 0 136 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.703 111.2 52.8 -78.5 -21.5 14.8 -14.1 6.8 52 1083 A L H <5S- 0 0 99 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.714 105.5-131.6 -84.0 -23.8 14.5 -12.3 3.5 53 1084 A G T <5 + 0 0 69 -4,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.783 69.6 115.1 76.2 29.4 16.1 -9.2 4.8 54 1085 A T < - 0 0 55 -5,-1.8 -1,-0.2 -6,-0.1 -2,-0.2 -0.979 48.5-168.8-136.7 121.3 13.4 -7.0 3.4 55 1086 A E + 0 0 184 -2,-0.4 -5,-0.1 -3,-0.1 -6,-0.0 0.024 32.0 170.2 -93.8 25.7 11.0 -4.9 5.4 56 1087 A T + 0 0 64 -7,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.070 6.7 145.8 -36.4 146.5 9.0 -4.3 2.2 57 1088 A L + 0 0 117 1,-0.0 -29,-0.1 -23,-0.0 -2,-0.1 -0.472 17.4 107.1 169.1 114.9 5.7 -2.6 2.9 58 1089 A G + 0 0 37 -2,-0.1 2,-0.3 -30,-0.1 23,-0.2 0.208 46.6 121.6 171.7 36.4 3.7 -0.1 0.9 59 1090 A Y - 0 0 34 18,-0.1 2,-0.6 -31,-0.1 18,-0.2 -0.826 53.6-132.4-115.3 154.2 0.7 -1.9 -0.6 60 1091 A C E -B 76 0A 61 16,-1.3 16,-2.4 -2,-0.3 2,-0.2 -0.926 25.7-165.3-109.4 114.2 -3.0 -1.2 -0.3 61 1092 A T E -B 75 0A 29 -2,-0.6 14,-0.3 14,-0.2 2,-0.1 -0.494 12.5-172.4 -94.0 165.7 -5.1 -4.3 0.4 62 1093 A D E -B 74 0A 104 12,-1.6 12,-0.9 -2,-0.2 13,-0.1 -0.514 10.5-172.1-160.9 81.7 -8.8 -4.7 0.1 63 1094 A F E +B 73 0A 156 10,-0.3 10,-0.3 -2,-0.1 2,-0.3 -0.219 9.9 167.0 -73.2 166.8 -10.2 -8.0 1.4 64 1095 A Q E -B 72 0A 84 8,-2.5 8,-2.4 2,-0.0 2,-0.5 -0.879 31.2-124.7-178.6 146.7 -13.8 -9.1 0.9 65 1096 A A E -B 71 0A 85 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.889 22.1-162.1-105.7 129.6 -16.1 -12.1 1.3 66 1097 A V E >> -B 70 0A 57 4,-2.2 4,-2.2 -2,-0.5 3,-0.9 -0.943 16.7-127.8-114.7 131.0 -18.1 -13.3 -1.7 67 1098 A P T 34 S+ 0 0 115 0, 0.0 4,-0.0 0, 0.0 0, 0.0 -0.420 91.0 14.7 -75.1 149.7 -21.1 -15.6 -1.3 68 1099 A G T 34 S+ 0 0 70 1,-0.2 0, 0.0 -2,-0.1 0, 0.0 0.813 130.8 54.1 56.3 32.2 -21.4 -18.7 -3.5 69 1100 A C T <4 S- 0 0 43 -3,-0.9 2,-0.3 1,-0.1 -1,-0.2 0.243 96.1-124.1-150.6 -68.8 -17.7 -18.2 -4.3 70 1101 A G E < -B 66 0A 23 -4,-2.2 -4,-2.2 48,-0.1 2,-0.3 -0.971 50.7 -21.7 150.7-131.6 -15.4 -17.9 -1.2 71 1102 A I E +BC 65 117A 74 46,-2.4 46,-1.8 -2,-0.3 2,-0.3 -0.823 53.9 172.2-116.8 156.4 -13.0 -15.3 -0.1 72 1103 A G E +BC 64 116A 1 -8,-2.4 -8,-2.5 -2,-0.3 2,-0.3 -0.979 7.8 179.3-157.5 162.5 -11.2 -12.6 -2.1 73 1104 A C E -BC 63 115A 22 42,-2.0 42,-3.3 -2,-0.3 2,-0.3 -0.972 14.4-142.4-163.2 158.3 -9.0 -9.5 -1.7 74 1105 A K E -BC 62 114A 85 -12,-0.9 -12,-1.6 -2,-0.3 2,-0.4 -0.928 8.4-166.8-129.4 153.2 -7.2 -7.0 -3.8 75 1106 A V E +BC 61 113A 5 38,-3.1 38,-2.6 -2,-0.3 2,-0.3 -0.978 15.8 157.5-144.4 126.7 -3.8 -5.2 -3.5 76 1107 A S E +BC 60 112A 29 -16,-2.4 -16,-1.3 -2,-0.4 36,-0.2 -0.992 33.3 90.8-150.7 142.5 -2.6 -2.2 -5.4 77 1108 A N >> + 0 0 58 34,-0.5 4,-2.2 -2,-0.3 3,-1.1 0.020 55.4 101.3 162.9 -32.8 0.1 0.5 -4.8 78 1109 A V H 3> S+ 0 0 31 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.771 86.5 57.8 -45.0 -27.6 3.2 -0.9 -6.3 79 1110 A E H 3> S+ 0 0 70 32,-0.4 4,-2.2 2,-0.2 -1,-0.3 0.922 103.7 48.1 -70.1 -46.6 2.2 1.5 -9.1 80 1111 A G H <4 S+ 0 0 39 -3,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.852 113.8 48.0 -61.9 -36.6 2.3 4.5 -6.8 81 1112 A I H < S+ 0 0 116 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.863 108.6 54.1 -71.5 -37.6 5.7 3.4 -5.5 82 1113 A L H < S+ 0 0 127 -4,-1.9 2,-0.6 -5,-0.3 -2,-0.2 0.879 116.4 40.6 -63.1 -39.2 6.9 2.9 -9.0 83 1114 A A S < S- 0 0 56 -4,-2.2 -1,-0.3 -5,-0.1 -4,-0.0 -0.926 91.9-135.2-117.0 106.1 5.9 6.4 -9.9 84 1115 A H - 0 0 167 -2,-0.6 2,-0.1 -3,-0.2 -3,-0.1 0.129 26.4-107.8 -47.2 172.0 6.7 9.0 -7.1 85 1116 A S - 0 0 85 -4,-0.1 -1,-0.1 3,-0.0 -4,-0.0 -0.349 10.8-139.6 -98.6-178.6 4.0 11.5 -6.3 86 1117 A E - 0 0 173 -2,-0.1 3,-0.3 0, 0.0 -2,-0.0 -0.451 69.4 -60.4-143.8 64.2 3.8 15.2 -6.9 87 1118 A R - 0 0 218 1,-0.2 2,-2.5 3,-0.0 0, 0.0 0.988 55.5-148.0 55.2 76.1 2.3 16.9 -3.8 88 1119 A P + 0 0 107 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.456 58.6 117.0 -75.0 72.3 -1.0 15.2 -3.6 89 1120 A L + 0 0 155 -2,-2.5 2,-0.1 -3,-0.3 0, 0.0 -0.746 37.4 173.0-144.1 90.3 -2.8 18.1 -2.1 90 1121 A S - 0 0 117 -2,-0.3 -3,-0.0 2,-0.0 0, 0.0 -0.429 25.4-145.5 -93.1 170.3 -5.6 19.6 -4.2 91 1122 A A - 0 0 81 -2,-0.1 2,-0.6 2,-0.1 -2,-0.0 -0.621 16.9-172.8-139.1 75.2 -8.1 22.3 -3.3 92 1123 A P + 0 0 108 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.610 36.8 108.3 -75.0 115.1 -11.4 21.6 -5.0 93 1124 A A + 0 0 59 -2,-0.6 -2,-0.1 1,-0.3 9,-0.0 -0.965 32.0 66.5-173.1 170.0 -13.7 24.6 -4.4 94 1125 A S + 0 0 80 -2,-0.3 -1,-0.3 6,-0.0 7,-0.2 0.902 40.0 150.1 67.7 101.3 -15.4 27.5 -6.1 95 1126 A H + 0 0 154 5,-0.1 5,-0.3 -3,-0.1 6,-0.1 0.602 63.9 66.0-126.7 -42.8 -18.0 26.4 -8.6 96 1127 A L S S+ 0 0 178 3,-0.1 -2,-0.0 4,-0.1 0, 0.0 0.676 77.0 131.1 -57.7 -16.0 -20.6 29.1 -8.7 97 1128 A N S S- 0 0 85 1,-0.1 3,-0.5 2,-0.1 4,-0.1 0.016 72.4-117.4 -38.5 144.0 -17.7 31.2 -10.1 98 1129 A E S S- 0 0 201 1,-0.2 -1,-0.1 2,-0.1 2,-0.0 0.954 98.6 -11.6 -51.4 -59.3 -18.7 33.1 -13.2 99 1130 A A S S+ 0 0 95 2,-0.0 -1,-0.2 1,-0.0 -3,-0.1 -0.513 95.6 125.1-146.3 70.0 -16.3 31.2 -15.4 100 1131 A G + 0 0 36 -3,-0.5 -5,-0.1 -5,-0.3 -2,-0.1 0.880 26.8 174.1 -90.1 -85.9 -13.9 29.3 -13.2 101 1132 A S - 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