Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4i0u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NE ARG 3.A O no hydrogen 2.459 N/A LYS 7.A NZ THR 14.A O no hydrogen 2.918 N/A LYS 7.A NZ GLU 86.A OE1 no hydrogen 3.230 N/A THR 14.A N PRO 11.A O no hydrogen 3.110 N/A THR 14.A OG1 PRO 11.A O no hydrogen 2.635 N/A TYR 17.A OH GLU 139.A OE1 no hydrogen 2.094 N/A THR 18.A N LEU 89.A O no hydrogen 3.432 N/A THR 18.A OG1 ASN 90.A OD1 no hydrogen 2.928 N/A LYS 20.A NZ GLU 121.A OE2 no hydrogen 3.188 N/A TYR 21.A N TYR 17.A OH no hydrogen 2.845 N/A GLU 26.A N THR 63.A O no hydrogen 2.915 N/A ILE 27.A N THR 42.A O no hydrogen 2.929 N/A GLU 28.A N ASN 61.A O no hydrogen 2.878 N/A VAL 29.A N PHE 40.A O no hydrogen 2.837 N/A MET 30.A N TRP 59.A O no hydrogen 2.982 N/A ASN 31.A N ARG 38.A O no hydrogen 2.866 N/A ASN 31.A ND2 THR 56.A OG1 no hydrogen 3.001 N/A ASN 31.A ND2 THR 58.A OG1 no hydrogen 2.936 N/A TYR 32.A N PRO 57.A O no hydrogen 3.310 N/A SER 33.A N GLU 36.A O no hydrogen 2.712 N/A SER 33.A OG GLU 36.A O no hydrogen 3.015 N/A GLU 36.A N SER 33.A OG no hydrogen 3.024 N/A ARG 38.A N ASN 31.A O no hydrogen 2.882 N/A PHE 40.A N VAL 29.A O no hydrogen 2.934 N/A LYS 41.A NZ GLU 26.A OE1 no hydrogen 3.272 N/A THR 42.A N ILE 27.A O no hydrogen 2.962 N/A ASP 44.A N THR 42.A OG1 no hydrogen 2.828 N/A GLU 46.A N ASP 44.A OD1 no hydrogen 3.000 N/A SER 47.A OG ASP 44.A O no hydrogen 2.717 N/A VAL 48.A N VAL 45.A O no hydrogen 2.863 N/A LEU 49.A N VAL 45.A O no hydrogen 3.012 N/A PHE 51.A N VAL 48.A O no hydrogen 2.995 N/A ARG 52.A N LEU 49.A O no hydrogen 3.357 N/A ARG 52.A NE ASP 53.A OD1 no hydrogen 2.969 N/A ARG 52.A NH1 PHE 77.A O no hydrogen 2.685 N/A ARG 52.A NH2 ASP 53.A OD1 no hydrogen 3.366 N/A ARG 52.A NH2 ASP 53.A OD2 no hydrogen 3.422 N/A ASP 53.A N PRO 50.A O no hydrogen 3.304 N/A SER 54.A N PHE 51.A O no hydrogen 2.818 N/A SER 54.A OG THR 56.A O no hydrogen 2.328 N/A SER 54.A OG THR 56.A OG1 no hydrogen 3.162 N/A THR 56.A N SER 54.A OG no hydrogen 2.538 N/A THR 56.A OG1 SER 54.A OG no hydrogen 3.162 N/A THR 58.A N ASN 132.A O no hydrogen 2.956 N/A THR 58.A OG1 THR 56.A O no hydrogen 3.108 N/A TRP 59.A N MET 30.A O no hydrogen 2.883 N/A ILE 60.A N VAL 134.A O no hydrogen 2.854 N/A ASN 61.A N GLU 28.A O no hydrogen 2.876 N/A ASN 61.A ND2 GLU 28.A OE1 no hydrogen 3.484 N/A ASN 61.A ND2 GLN 138.A OE1 no hydrogen 3.460 N/A ILE 62.A N MET 136.A O no hydrogen 2.738 N/A THR 63.A N GLU 26.A O no hydrogen 2.880 N/A ILE 65.A N GLN 138.A O no hydrogen 3.135 N/A HIS 66.A NE2 ASP 24.A O no hydrogen 2.978 N/A ARG 67.A N GLY 64.A O no hydrogen 3.300 N/A ARG 67.A NE ASP 69.A OD2 no hydrogen 3.303 N/A ARG 67.A NH2 ASP 69.A OD2 no hydrogen 3.142 N/A GLN 72.A N THR 68.A O no hydrogen 2.911 N/A ARG 73.A N ASP 69.A O no hydrogen 2.951 N/A ARG 73.A NE GLU 46.A OE2 no hydrogen 3.230 N/A ARG 73.A NH2 GLU 46.A OE2 no hydrogen 3.026 N/A VAL 74.A N VAL 70.A O no hydrogen 2.984 N/A GLY 75.A N VAL 71.A O no hydrogen 2.881 N/A GLU 76.A N GLN 72.A O no hydrogen 2.909 N/A PHE 77.A N ARG 73.A O no hydrogen 3.066 N/A PHE 78.A N VAL 74.A O no hydrogen 2.922 N/A GLY 79.A N GLU 76.A O no hydrogen 2.985 N/A ILE 80.A N GLY 75.A O no hydrogen 2.599 N/A HIS 81.A N TYR 103.A OH no hydrogen 3.045 N/A LEU 85.A N HIS 81.A O no hydrogen 2.972 N/A GLU 86.A N PRO 82.A O no hydrogen 2.908 N/A ASP 87.A N LEU 83.A O no hydrogen 2.923 N/A ILE 88.A N VAL 84.A O no hydrogen 2.939 N/A LEU 89.A N LEU 85.A O no hydrogen 2.990 N/A ASN 90.A N GLU 86.A O no hydrogen 2.863 N/A VAL 91.A N THR 18.A OG1 no hydrogen 3.193 N/A HIS 92.A N ASN 90.A OD1 no hydrogen 3.280 N/A HIS 92.A NE2 THR 18.A O no hydrogen 2.878 N/A LYS 96.A N VAL 107.A O no hydrogen 3.199 N/A LYS 96.A NZ ASP 87.A OD2 no hydrogen 2.476 N/A LYS 96.A NZ GLU 98.A OE1 no hydrogen 3.130 N/A GLU 98.A N PHE 105.A O no hydrogen 2.950 N/A PHE 100.A N TYR 103.A O no hydrogen 2.716 N/A VAL 104.A N LEU 129.A O no hydrogen 2.872 N/A PHE 105.A N GLU 98.A O no hydrogen 2.945 N/A ILE 106.A N LEU 127.A O no hydrogen 2.874 N/A VAL 107.A N LYS 96.A O no hydrogen 2.974 N/A LEU 108.A N VAL 125.A O no hydrogen 2.865 N/A LYS 109.A NZ VAL 91.A O no hydrogen 2.856 N/A LYS 109.A NZ GLN 93.A O no hydrogen 3.068 N/A LYS 109.A NZ GLN 124.A OE1 no hydrogen 2.412 N/A MET 110.A N GLU 123.A O no hydrogen 2.927 N/A THR 112.A N GLU 121.A O no hydrogen 2.873 N/A ASP 114.A N GLU 119.A O no hydrogen 2.967 N/A LYS 115.A NZ ASP 188.A OD2 no hydrogen 3.153 N/A GLU 119.A N ASP 114.A O no hydrogen 3.025 N/A GLU 121.A N THR 112.A O no hydrogen 2.923 N/A GLU 123.A N MET 110.A O no hydrogen 2.890 N/A GLN 124.A N GLU 139.A OE2 no hydrogen 3.292 N/A GLN 124.A NE2 ASN 90.A O no hydrogen 3.508 N/A VAL 125.A N LEU 108.A O no hydrogen 2.970 N/A SER 126.A N PHE 137.A O no hydrogen 2.992 N/A LEU 127.A N ILE 106.A O no hydrogen 2.857 N/A ILE 128.A N LEU 135.A O no hydrogen 2.973 N/A LEU 129.A N VAL 104.A O no hydrogen 2.964 N/A THR 130.A N CYS 133.A O no hydrogen 2.991 N/A THR 130.A OG1 ASN 102.A O no hydrogen 2.874 N/A ASN 132.A ND2 SER 54.A O no hydrogen 2.815 N/A CYS 133.A N THR 130.A O no hydrogen 2.942 N/A CYS 133.A SG PHE 51.A O no hydrogen 3.360 N/A VAL 134.A N THR 58.A O no hydrogen 2.815 N/A LEU 135.A N ILE 128.A O no hydrogen 2.861 N/A MET 136.A N ILE 60.A O no hydrogen 2.645 N/A PHE 137.A N SER 126.A O no hydrogen 2.940 N/A GLN 138.A N ILE 62.A O no hydrogen 2.906 N/A GLN 138.A NE2 GLU 123.A OE1 no hydrogen 3.331 N/A GLN 138.A NE2 GLU 123.A OE2 no hydrogen 3.368 N/A GLN 138.A NE2 GLY 142.A O no hydrogen 2.648 N/A GLU 139.A N GLU 123.A OE1 no hydrogen 2.504 N/A LYS 140.A N GLU 123.A OE1 no hydrogen 3.198 N/A PHE 145.A N ASP 143.A OD1 no hydrogen 3.080 N/A VAL 148.A N PHE 145.A O no hydrogen 2.941 N/A ARG 149.A NH1 ASP 143.A OD1 no hydrogen 3.404 N/A ARG 149.A NH1 ASP 146.A OD1 no hydrogen 2.676 N/A ARG 149.A NH2 ASP 143.A OD2 no hydrogen 3.563 N/A GLU 150.A N ASP 146.A O no hydrogen 2.949 N/A ARG 151.A N PRO 147.A O no hydrogen 2.884 N/A ILE 152.A N VAL 148.A O no hydrogen 2.908 N/A ARG 153.A N ARG 149.A O no hydrogen 2.861 N/A ARG 153.A NE GLU 39.A OE1 no hydrogen 3.111 N/A ARG 153.A NE GLU 39.A OE2 no hydrogen 3.219 N/A ARG 153.A NH2 GLU 39.A OE1 no hydrogen 2.840 N/A TYR 154.A N GLU 150.A O no hydrogen 2.713 N/A ARG 156.A N ARG 151.A O no hydrogen 3.001 N/A ARG 156.A NH2 GLU 150.A OE1 no hydrogen 3.167 N/A ARG 160.A NE ILE 152.A O no hydrogen 2.779 N/A ARG 160.A NH1 SER 33.A O no hydrogen 3.451 N/A ARG 160.A NH2 ILE 152.A O no hydrogen 2.972 N/A LYS 161.A N ILE 158.A O no hydrogen 2.781 N/A LYS 162.A N ILE 159.A O no hydrogen 3.168 N/A LYS 162.A NZ GLU 244.A OE1 no hydrogen 3.330 N/A LEU 168.A N ALA 164.A O no hydrogen 2.931 N/A TYR 169.A N ASP 165.A O no hydrogen 2.875 N/A SER 170.A N TYR 166.A O no hydrogen 2.955 N/A SER 170.A OG TYR 166.A O no hydrogen 3.090 N/A LEU 171.A N LEU 167.A O no hydrogen 2.949 N/A ILE 172.A N LEU 168.A O no hydrogen 2.924 N/A ASP 173.A N TYR 169.A O no hydrogen 2.831 N/A ALA 174.A N SER 170.A O no hydrogen 3.041 N/A LEU 175.A N LEU 171.A O no hydrogen 3.047 N/A VAL 176.A N ILE 172.A O no hydrogen 2.872 N/A ASP 177.A N ASP 173.A O no hydrogen 2.889 N/A ASP 178.A N ALA 174.A O no hydrogen 3.104 N/A TYR 179.A N VAL 176.A O no hydrogen 2.993 N/A TYR 179.A OH LYS 109.A O no hydrogen 2.284 N/A PHE 180.A N ASP 177.A O no hydrogen 2.709 N/A LEU 182.A N ASP 178.A O no hydrogen 3.029 N/A LEU 183.A N TYR 179.A O no hydrogen 2.811 N/A GLU 184.A N PHE 180.A O no hydrogen 2.857 N/A LYS 185.A N VAL 181.A O no hydrogen 3.032 N/A ILE 186.A N LEU 182.A O no hydrogen 2.956 N/A ASP 187.A N LEU 183.A O no hydrogen 2.941 N/A ASP 188.A N GLU 184.A O no hydrogen 3.048 N/A GLU 189.A N LYS 185.A O no hydrogen 3.008 N/A ILE 190.A N ILE 186.A O no hydrogen 2.862 N/A ASP 191.A N ASP 187.A O no hydrogen 2.908 N/A VAL 192.A N ASP 188.A O no hydrogen 3.024 N/A LEU 193.A N GLU 189.A O no hydrogen 2.955 N/A GLU 194.A N ILE 190.A O no hydrogen 2.907 N/A GLU 195.A N ASP 191.A O no hydrogen 3.013 N/A GLU 196.A N VAL 192.A O no hydrogen 2.950 N/A VAL 197.A N GLU 194.A O no hydrogen 3.111 N/A LEU 198.A N GLU 194.A O no hydrogen 3.015 N/A GLU 199.A N GLU 195.A O no hydrogen 2.988 N/A ARG 200.A N GLU 196.A O no hydrogen 3.040 N/A GLU 202.A N ARG 200.A O no hydrogen 3.049 N/A THR 205.A OG1 ARG 200.A O no hydrogen 3.283 N/A THR 205.A OG1 GLU 202.A O no hydrogen 3.255 N/A GLN 207.A N LYS 203.A O no hydrogen 3.015 N/A ARG 208.A N GLU 204.A O no hydrogen 2.948 N/A ARG 208.A NH2 GLU 189.A OE1 no hydrogen 2.785 N/A THR 209.A N THR 205.A O no hydrogen 2.926 N/A THR 209.A OG1 THR 205.A O no hydrogen 2.873 N/A HIS 210.A N VAL 206.A O no hydrogen 2.923 N/A GLN 211.A N GLN 207.A O no hydrogen 2.962 N/A LEU 212.A N ARG 208.A O no hydrogen 2.926 N/A LYS 213.A N THR 209.A O no hydrogen 2.970 N/A ARG 214.A N HIS 210.A O no hydrogen 2.987 N/A ASN 215.A N GLN 211.A O no hydrogen 3.002 N/A ASN 215.A ND2 HIS 118.A O no hydrogen 3.574 N/A LEU 216.A N LEU 212.A O no hydrogen 2.923 N/A VAL 217.A N LYS 213.A O no hydrogen 2.969 N/A GLU 218.A N ARG 214.A O no hydrogen 2.987 N/A LEU 219.A N ASN 215.A O no hydrogen 3.008 N/A ARG 220.A N LEU 216.A O no hydrogen 2.948 N/A LYS 221.A N VAL 217.A O no hydrogen 2.872 N/A THR 222.A N GLU 218.A O no hydrogen 3.129 N/A THR 222.A OG1 GLU 218.A O no hydrogen 3.454 N/A ILE 223.A N LEU 219.A O no hydrogen 2.939 N/A TRP 224.A N ARG 220.A O no hydrogen 2.984 N/A LEU 226.A N THR 222.A O no hydrogen 3.428 N/A ARG 227.A N ILE 223.A O no hydrogen 2.936 N/A GLU 228.A N TRP 224.A O no hydrogen 3.114 N/A VAL 229.A N PRO 225.A O no hydrogen 2.877 N/A LEU 230.A N LEU 226.A O no hydrogen 3.301 N/A SER 231.A N ARG 227.A O no hydrogen 2.837 N/A SER 231.A OG TYR 253.A OH no hydrogen 3.294 N/A SER 232.A N GLU 228.A O no hydrogen 2.782 N/A LEU 233.A N VAL 229.A O no hydrogen 3.262 N/A TYR 234.A N LEU 230.A O no hydrogen 3.154 N/A ARG 235.A N SER 232.A O no hydrogen 3.182 N/A ILE 241.A N ASP 165.A OD2 no hydrogen 2.995 N/A GLU 242.A N GLU 242.A OE1 no hydrogen 2.929 N/A THR 245.A N ILE 241.A O no hydrogen 3.171 N/A THR 245.A OG1 ASP 165.A OD2 no hydrogen 2.712 N/A VAL 246.A N GLU 242.A O no hydrogen 2.967 N/A TYR 248.A N THR 245.A O no hydrogen 3.075 N/A PHE 249.A N THR 245.A O no hydrogen 3.450 N/A ARG 250.A N VAL 246.A O no hydrogen 3.112 N/A ASP 251.A N PRO 247.A O no hydrogen 3.217 N/A ASP 251.A N TYR 248.A O no hydrogen 3.169 N/A VAL 252.A N TYR 248.A O no hydrogen 3.426 N/A TYR 253.A N ARG 250.A O no hydrogen 3.099 N/A ASP 254.A N ARG 250.A O no hydrogen 3.065 N/A HIS 255.A N ASP 251.A O no hydrogen 3.117 N/A THR 256.A N VAL 252.A O no hydrogen 3.058 N/A ILE 257.A N TYR 253.A O no hydrogen 3.003 N/A ILE 257.A N ASP 254.A O no hydrogen 3.213 N/A GLN 258.A N ASP 254.A O no hydrogen 2.843 N/A ILE 259.A N HIS 255.A O no hydrogen 2.793 N/A ALA 260.A N THR 256.A O no hydrogen 3.045 N/A ASP 261.A N ILE 257.A O no hydrogen 2.812 N/A THR 262.A N GLN 258.A O no hydrogen 3.194 N/A THR 262.A OG1 GLN 258.A O no hydrogen 2.902 N/A VAL 263.A N ILE 259.A O no hydrogen 3.140 N/A THR 265.A N ASP 261.A O no hydrogen 2.916 N/A PHE 266.A N THR 262.A O no hydrogen 2.912 N/A ARG 267.A N VAL 263.A O no hydrogen 2.929 N/A ASP 268.A N GLU 264.A O no hydrogen 2.962 N/A ILE 269.A N THR 265.A O no hydrogen 3.211 N/A ILE 269.A N PHE 266.A O no hydrogen 3.098 N/A VAL 270.A N PHE 266.A O no hydrogen 2.977 N/A SER 271.A N ARG 267.A O no hydrogen 3.082 N/A SER 271.A OG ARG 267.A O no hydrogen 3.491 N/A SER 271.A OG ASP 268.A O no hydrogen 2.867 N/A GLY 272.A N ILE 269.A O no hydrogen 3.141 N/A LEU 273.A N VAL 270.A O no hydrogen 3.213 N/A VAL 276.A N GLY 272.A O no hydrogen 3.116 N/A TYR 277.A N LEU 273.A O no hydrogen 2.938 N/A TYR 277.A OH GLU 202.A O no hydrogen 2.968 N/A LEU 278.A N LEU 274.A O no hydrogen 2.948 N/A SER 279.A N ASP 275.A O no hydrogen 2.909 N/A SER 279.A OG ASP 275.A O no hydrogen 3.184 N/A SER 280.A N VAL 276.A O no hydrogen 2.856 N/A SER 280.A N TYR 277.A O no hydrogen 3.030 N/A SER 280.A OG VAL 197.A O no hydrogen 3.478 N/A SER 280.A OG LEU 198.A O no hydrogen 3.020 N/A VAL 281.A N TYR 277.A O no hydrogen 2.933 N/A SER 282.A N LEU 278.A O no hydrogen 2.917 N/A LYS 284.A N SER 280.A O no hydrogen 3.082 N/A THR 285.A N VAL 281.A O no hydrogen 2.853 N/A ASN 286.A N SER 282.A O no hydrogen 3.271 N/A GLU 287.A N ASN 283.A O no hydrogen 3.433 N/A VAL 288.A N LYS 284.A O no hydrogen 3.303 N/A MET 289.A N THR 285.A O no hydrogen 2.853 N/A LYS 290.A N ASN 286.A O no hydrogen 3.042 N/A VAL 291.A N GLU 287.A O no hydrogen 3.204 N/A LEU 292.A N VAL 288.A O no hydrogen 3.035 N/A THR 293.A OG1 MET 289.A O no hydrogen 2.684 N/A ILE 294.A N LYS 290.A O no hydrogen 3.256 N/A ILE 295.A N VAL 291.A O no hydrogen 3.007 N/A ALA 296.A N LEU 292.A O no hydrogen 2.872 N/A THR 297.A N THR 293.A O no hydrogen 2.423 N/A ILE 298.A N ILE 294.A O no hydrogen 3.068 N/A PHE 299.A N ILE 295.A O no hydrogen 3.323 N/A MET 300.A N ALA 296.A O no hydrogen 2.902 N/A THR 303.A N PHE 299.A O no hydrogen 3.008 N/A THR 303.A OG1 PHE 299.A O no hydrogen 2.846 N/A THR 303.A OG1 MET 300.A O no hydrogen 3.354 N/A ILE 305.A N PRO 301.A O no hydrogen 3.436 N/A ALA 306.A N LEU 302.A O no hydrogen 3.103 N/A GLY 307.A N PHE 304.A O no hydrogen 3.004 N/A ILE 308.A N PHE 304.A O no hydrogen 3.129 N/A ILE 308.A N ILE 305.A O no hydrogen 2.778 N/A TYR 309.A N ILE 305.A O no hydrogen 3.029 N/A VAL 328.A N GLY 324.A O no hydrogen 2.868 N/A LEU 329.A N TYR 325.A O no hydrogen 2.959 N/A ALA 330.A N PRO 326.A O no hydrogen 2.911 N/A VAL 331.A N VAL 327.A O no hydrogen 2.900 N/A MET 332.A N VAL 328.A O no hydrogen 2.936 N/A GLY 333.A N LEU 329.A O no hydrogen 2.983 N/A VAL 334.A N ALA 330.A O no hydrogen 2.918 N/A ILE 335.A N VAL 331.A O no hydrogen 2.919 N/A ALA 336.A N MET 332.A O no hydrogen 2.960 N/A VAL 337.A N GLY 333.A O no hydrogen 2.994 N/A ILE 338.A N VAL 334.A O no hydrogen 2.910 N/A MET 339.A N ILE 335.A O no hydrogen 2.965 N/A VAL 340.A N ALA 336.A O no hydrogen 3.010 N/A VAL 341.A N VAL 337.A O no hydrogen 2.949 N/A TYR 342.A N ILE 338.A O no hydrogen 2.914 N/A PHE 343.A N MET 339.A O no hydrogen 2.962 N/A PHE 343.A N VAL 340.A O no hydrogen 3.319 N/A LYS 344.A N VAL 341.A O no hydrogen 3.180 N/A LYS 345.A NZ TYR 342.A OH no hydrogen 3.188 N/A LYS 346.A N PHE 343.A O no hydrogen 3.264 N/A