Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k52_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 46.A O no hydrogen 3.131 N/A LEU 2.A N ASP 173.A OD2 no hydrogen 2.885 N/A THR 3.A N LYS 48.A O no hydrogen 2.603 N/A ILE 4.A N LEU 174.A O no hydrogen 3.057 N/A LEU 5.A N ILE 50.A O no hydrogen 2.808 N/A LYS 6.A N LEU 176.A O no hydrogen 2.679 N/A LEU 7.A N.A VAL 52.A O no hydrogen 2.866 N/A LEU 7.A N.B VAL 52.A O no hydrogen 2.830 N/A SER 10.A N.A ASP 180.A OD1 no hydrogen 3.110 N/A SER 10.A N.A ASP 180.A OD2 no hydrogen 2.904 N/A SER 10.A OG.A ASP 180.A OD2 no hydrogen 3.338 N/A SER 10.A OG.B ASP 180.A OD2 no hydrogen 3.484 N/A LEU 12.A N GLY 9.A O.B no hydrogen 2.571 N/A SER 13.A N SER 10.A O.B no hydrogen 2.869 N/A SER 13.A OG SER 20.A O no hydrogen 2.788 N/A ASP 14.A N SER 20.A OG no hydrogen 2.924 N/A ASN 16.A N ASP 14.A OD1 no hydrogen 3.249 N/A TYR 19.A N ALA 57.A O no hydrogen 2.697 N/A SER 20.A N VAL 17.A O no hydrogen 2.814 N/A LYS 22.A N LEU 12.A O no hydrogen 2.993 N/A LYS 22.A NZ SER 10.A O.A no hydrogen 2.421 N/A LYS 22.A NZ SER 10.A O.B no hydrogen 3.044 N/A LYS 22.A NZ SER 10.A OG.A no hydrogen 3.147 N/A TRP 23.A N ILE 21.A O no hydrogen 2.827 N/A LEU 26.A N LYS 22.A O no hydrogen 2.713 N/A GLU 27.A N TRP 23.A O no hydrogen 2.698 N/A ARG 28.A N ASP 24.A O no hydrogen 2.973 N/A ARG 28.A NH1 GLU 32.A OE2 no hydrogen 2.985 N/A ARG 28.A NH2 GLY 237.A O no hydrogen 3.006 N/A ILE 29.A N ASN 25.A O no hydrogen 3.141 N/A ALA 30.A N LEU 26.A O no hydrogen 3.285 N/A MET 31.A N GLU 27.A O no hydrogen 3.084 N/A GLU 32.A N ARG 28.A O no hydrogen 3.034 N/A ILE 33.A N ILE 29.A O no hydrogen 2.935 N/A LYS 34.A N ALA 30.A O no hydrogen 2.902 N/A LYS 34.A NZ ASP 38.A OD1 no hydrogen 3.232 N/A ASN 35.A N MET 31.A O no hydrogen 2.644 N/A ALA 36.A N GLU 32.A O no hydrogen 2.845 N/A LEU 37.A N ILE 33.A O no hydrogen 2.965 N/A ASP 38.A N LYS 34.A O no hydrogen 2.841 N/A TYR 39.A N ASN 35.A O no hydrogen 2.965 N/A TYR 40.A N ALA 36.A O no hydrogen 3.009 N/A TYR 40.A OH LEU 247.A O no hydrogen 2.411 N/A LYS 41.A N LEU 37.A O no hydrogen 3.309 N/A LYS 41.A N ASP 38.A O no hydrogen 3.197 N/A ASN 42.A N ASP 38.A O no hydrogen 3.077 N/A GLN 43.A N TYR 39.A O no hydrogen 3.016 N/A ASN 44.A N LYS 41.A O no hydrogen 2.850 N/A LYS 45.A N TYR 40.A O no hydrogen 2.768 N/A LYS 48.A N MET 1.A O no hydrogen 3.015 N/A ILE 50.A N THR 3.A O no hydrogen 2.872 N/A LEU 51.A N PRO 140.A O no hydrogen 3.167 N/A VAL 52.A N LEU 5.A O no hydrogen 2.972 N/A HIS 53.A N ILE 142.A O no hydrogen 3.028 N/A HIS 53.A ND1 GLY 54.A O no hydrogen 3.024 N/A HIS 53.A NE2 ASN 94.A OD1 no hydrogen 3.298 N/A ALA 57.A N SER 13.A OG no hydrogen 2.725 N/A PHE 58.A N GLY 55.A O no hydrogen 2.842 N/A GLY 59.A N GLY 55.A O no hydrogen 2.958 N/A ALA 63.A N GLY 59.A O no hydrogen 2.894 N/A LYS 64.A N HIS 60.A O no hydrogen 2.877 N/A LYS 65.A N VAL 62.A O no hydrogen 3.169 N/A TYR 66.A N ALA 63.A O no hydrogen 2.890 N/A LEU 67.A N LYS 64.A O no hydrogen 3.098 N/A LYS 68.A N ILE 75.A O no hydrogen 2.914 N/A GLU 70.A N LYS 73.A O no hydrogen 2.748 N/A ILE 75.A N LYS 68.A O no hydrogen 2.872 N/A ILE 77.A N TYR 66.A O no hydrogen 2.974 N/A LYS 81.A N ASN 78.A O no hydrogen 2.840 N/A GLY 82.A N ASN 78.A O no hydrogen 2.851 N/A PHE 83.A N MET 79.A O no hydrogen 3.090 N/A GLU 85.A N LYS 81.A O no hydrogen 2.999 N/A ILE 86.A N GLY 82.A O no hydrogen 3.033 N/A GLN 87.A N PHE 83.A O no hydrogen 3.002 N/A GLN 87.A NE2 SER 114.A OG no hydrogen 2.598 N/A ARG 88.A N TRP 84.A O no hydrogen 2.613 N/A ALA 89.A N GLU 85.A O no hydrogen 3.137 N/A MET 90.A N ILE 86.A O no hydrogen 3.015 N/A ARG 91.A N GLN 87.A O no hydrogen 2.772 N/A ARG 91.A NH1 GLN 112.A OE1 no hydrogen 3.134 N/A ARG 92.A N ARG 88.A O no hydrogen 3.124 N/A PHE 93.A N ALA 89.A O no hydrogen 3.211 N/A ASN 94.A N MET 90.A O no hydrogen 2.864 N/A ASN 95.A N ARG 91.A O no hydrogen 2.972 N/A ASN 95.A ND2 ARG 91.A O no hydrogen 2.769 N/A ILE 96.A N ARG 92.A O no hydrogen 2.951 N/A ILE 97.A N PHE 93.A O no hydrogen 2.928 N/A ILE 98.A N ASN 94.A O no hydrogen 2.841 N/A ASP 99.A N ASN 95.A O no hydrogen 2.703 N/A THR 100.A N ILE 96.A O no hydrogen 3.174 N/A THR 100.A OG1 ILE 96.A O no hydrogen 2.682 N/A LEU 101.A N ILE 97.A O no hydrogen 2.945 N/A GLN 102.A N ILE 98.A O no hydrogen 2.812 N/A GLN 102.A NE2 ALA 108.A O no hydrogen 2.925 N/A SER 103.A N ASP 99.A O no hydrogen 2.830 N/A SER 103.A OG THR 100.A O no hydrogen 2.519 N/A TYR 104.A N LEU 101.A O no hydrogen 3.301 N/A ASP 105.A N GLN 102.A O no hydrogen 2.489 N/A ILE 106.A N LEU 101.A O no hydrogen 3.040 N/A ALA 108.A N ILE 106.A O no hydrogen 2.615 N/A VAL 109.A N VAL 139.A O no hydrogen 2.855 N/A ILE 111.A N VAL 141.A O no hydrogen 2.925 N/A SER 114.A N ASP 145.A OD2 no hydrogen 2.768 N/A SER 114.A OG ASP 145.A OD2 no hydrogen 2.772 N/A SER 115.A N GLN 112.A O no hydrogen 3.125 N/A SER 115.A OG GLN 112.A OE1 no hydrogen 3.216 N/A PHE 116.A N PRO 113.A O no hydrogen 3.160 N/A VAL 117.A N PRO 113.A O no hydrogen 2.949 N/A VAL 118.A N ILE 124.A O no hydrogen 2.899 N/A PHE 119.A N ILE 148.A O no hydrogen 2.997 N/A GLY 120.A N LYS 122.A O no hydrogen 3.227 N/A ILE 124.A N VAL 118.A O no hydrogen 2.893 N/A THR 127.A OG1 GLU 169.A OE2 no hydrogen 3.560 N/A SER 128.A N ASP 126.A OD1 no hydrogen 2.701 N/A SER 128.A OG ASP 126.A OD1 no hydrogen 2.375 N/A SER 128.A OG ASP 126.A OD2 no hydrogen 3.317 N/A LYS 131.A N THR 127.A O no hydrogen 3.118 N/A LYS 131.A NZ THR 127.A OG1 no hydrogen 3.333 N/A GLU 132.A N SER 128.A O no hydrogen 3.115 N/A MET 133.A N ALA 129.A O no hydrogen 2.825 N/A LEU 134.A N ILE 130.A O no hydrogen 2.871 N/A LYS 135.A N LYS 131.A O no hydrogen 2.833 N/A ARG 136.A N GLU 132.A O no hydrogen 3.058 N/A ARG 136.A N MET 133.A O no hydrogen 3.025 N/A ARG 136.A NH1 GLU 132.A O no hydrogen 2.786 N/A ARG 136.A NH1 GLU 132.A OE1 no hydrogen 2.848 N/A ARG 136.A NH2 GLU 132.A OE1 no hydrogen 3.193 N/A ASN 137.A N LEU 134.A O no hydrogen 2.842 N/A LEU 138.A N MET 133.A O no hydrogen 3.005 N/A VAL 139.A N PRO 107.A O no hydrogen 2.718 N/A VAL 141.A N VAL 109.A O no hydrogen 2.734 N/A ILE 142.A N LEU 51.A O no hydrogen 2.925 N/A HIS 143.A ND1 GLY 144.A O no hydrogen 2.599 N/A GLY 144.A N HIS 53.A O no hydrogen 2.890 N/A ASP 145.A N ILE 157.A O no hydrogen 2.879 N/A ILE 146.A N ASP 145.A OD1 no hydrogen 2.804 N/A VAL 147.A N ARG 155.A O no hydrogen 2.936 N/A ASP 149.A N GLY 153.A O no hydrogen 2.956 N/A LYS 151.A N ASP 149.A OD1 no hydrogen 2.628 N/A GLY 153.A N ASP 149.A OD1 no hydrogen 2.708 N/A ARG 155.A N VAL 147.A O no hydrogen 2.782 N/A ILE 157.A N ASP 145.A O no hydrogen 2.877 N/A SER 158.A N ASP 161.A OD2 no hydrogen 3.121 N/A SER 158.A OG ASP 161.A OD2 no hydrogen 3.533 N/A ILE 162.A N SER 158.A O no hydrogen 2.894 N/A VAL 163.A N GLY 159.A O no hydrogen 2.743 N/A TYR 165.A OH PHE 125.A O no hydrogen 2.664 N/A LEU 166.A N ILE 162.A O no hydrogen 3.007 N/A ALA 167.A N VAL 163.A O no hydrogen 2.762 N/A ASN 168.A N PRO 164.A O no hydrogen 3.102 N/A GLU 169.A N TYR 165.A O no hydrogen 2.895 N/A LEU 170.A N LEU 166.A O no hydrogen 2.748 N/A LYS 171.A N ASN 168.A O no hydrogen 2.802 N/A LYS 171.A NZ ASN 168.A O no hydrogen 3.065 N/A ALA 172.A N ALA 167.A O no hydrogen 2.912 N/A ASP 173.A N LEU 2.A O no hydrogen 2.969 N/A ILE 175.A N ARG 231.A O no hydrogen 2.740 N/A LEU 176.A N ILE 4.A O no hydrogen 2.799 N/A TYR 177.A N PHE 233.A O no hydrogen 2.759 N/A ALA 178.A N LYS 6.A O no hydrogen 2.958 N/A THR 179.A N PHE 235.A O no hydrogen 2.815 N/A THR 179.A OG1 VAL 181.A O no hydrogen 3.092 N/A THR 179.A OG1 PHE 235.A O no hydrogen 3.105 N/A VAL 181.A N THR 179.A OG1 no hydrogen 3.111 N/A VAL 184.A N THR 254.A OG1 no hydrogen 3.085 N/A ILE 186.A N LYS 189.A O no hydrogen 2.825 N/A LYS 189.A NZ ASN 188.A O no hydrogen 2.579 N/A ILE 191.A N VAL 184.A O no hydrogen 3.119 N/A ARG 193.A NE ASP 195.A OD2 no hydrogen 3.069 N/A ARG 193.A NH2 ASP 257.A OD2 no hydrogen 3.089 N/A ILE 194.A N GLU 255.A O no hydrogen 2.729 N/A ASP 195.A N ASN 198.A OD1 no hydrogen 2.706 N/A ASN 197.A N ASP 195.A OD1 no hydrogen 2.818 N/A ASN 198.A N ASP 195.A O no hydrogen 2.873 N/A ASN 198.A ND2 ARG 193.A O no hydrogen 3.175 N/A ILE 199.A N ASP 195.A O no hydrogen 2.905 N/A ILE 202.A N ASN 198.A O no hydrogen 2.757 N/A ILE 202.A N ILE 199.A O no hydrogen 2.597 N/A LEU 203.A N ILE 199.A O no hydrogen 2.648 N/A ASN 204.A N TYR 200.A O no hydrogen 2.965 N/A LEU 206.A N ILE 202.A O no hydrogen 2.871 N/A SER 207.A N LEU 203.A O no hydrogen 2.941 N/A SER 207.A N ASN 204.A O no hydrogen 2.999 N/A SER 207.A OG LEU 203.A O no hydrogen 3.028 N/A GLY 208.A N TYR 205.A O no hydrogen 2.852 N/A SER 211.A OG LEU 206.A O no hydrogen 3.123 N/A SER 211.A OG ASP 213.A O no hydrogen 3.033 N/A THR 215.A N ASP 213.A OD1 no hydrogen 3.173 N/A THR 215.A OG1 ASP 213.A OD1 no hydrogen 2.530 N/A GLY 217.A N THR 215.A OG1 no hydrogen 3.199 N/A MET 218.A N ASP 213.A OD2 no hydrogen 2.868 N/A LYS 219.A NZ SER 207.A OG no hydrogen 2.717 N/A TYR 220.A N GLY 216.A O no hydrogen 3.286 N/A LYS 221.A N GLY 217.A O no hydrogen 3.246 N/A LYS 221.A NZ ASP 160.A OD2 no hydrogen 3.147 N/A ILE 222.A N MET 218.A O no hydrogen 2.864 N/A GLU 223.A N LYS 219.A O no hydrogen 3.049 N/A MET 224.A N TYR 220.A O no hydrogen 3.237 N/A ILE 225.A N LYS 221.A O no hydrogen 3.210 N/A ARG 226.A N ILE 222.A O no hydrogen 2.991 N/A ARG 226.A NH2 TYR 200.A OH no hydrogen 3.257 N/A LYS 227.A N GLU 223.A O no hydrogen 2.689 N/A ASN 228.A N MET 224.A O no hydrogen 2.739 N/A ASN 228.A N ILE 225.A O no hydrogen 3.073 N/A ASN 228.A ND2 ASN 168.A OD1 no hydrogen 3.207 N/A LYS 229.A N ARG 226.A O no hydrogen 3.359 N/A CYS 230.A N ILE 225.A O no hydrogen 3.372 N/A CYS 230.A SG ILE 225.A O no hydrogen 3.897 N/A CYS 230.A SG ARG 231.A O no hydrogen 3.941 N/A ARG 231.A NE GLU 255.A OE2 no hydrogen 3.013 N/A GLY 232.A N ILE 256.A O no hydrogen 2.998 N/A PHE 233.A N ILE 175.A O no hydrogen 2.774 N/A VAL 234.A N THR 254.A O no hydrogen 3.077 N/A PHE 235.A N TYR 177.A O no hydrogen 3.138 N/A ASN 236.A ND2 ASP 182.A OD1 no hydrogen 3.208 N/A GLY 237.A N THR 179.A O no hydrogen 2.967 N/A ASN 238.A N ASN 236.A OD1 no hydrogen 2.722 N/A ASN 241.A N GLU 32.A OE2 no hydrogen 2.526 N/A ASN 242.A N LYS 239.A O no hydrogen 3.213 N/A TYR 244.A N GLU 32.A OE1 no hydrogen 2.930 N/A LYS 245.A N ASN 241.A O no hydrogen 2.750 N/A ALA 246.A N ASN 242.A O no hydrogen 2.733 N/A LEU 247.A N ILE 243.A O no hydrogen 3.092 N/A LEU 248.A N TYR 244.A O no hydrogen 3.200 N/A GLY 249.A N LYS 245.A O no hydrogen 2.809 N/A GLU 250.A N LYS 245.A O no hydrogen 3.157 N/A THR 254.A N VAL 234.A O no hydrogen 3.139 N/A THR 254.A OG1 ILE 191.A O no hydrogen 2.616 N/A GLU 255.A N LYS 192.A O no hydrogen 2.664 N/A ILE 256.A N GLY 232.A O no hydrogen 2.990 N/A ASP 257.A N ILE 194.A O no hydrogen 2.988 N/A PHE 258.A N CYS 230.A O no hydrogen 2.819 N/A SER 259.A N ASP 257.A OD1 no hydrogen 3.289 N/A SER 259.A OG ASP 257.A OD1 no hydrogen 2.777 N/A