Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4rn2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N VAL 105.A O no hydrogen 2.801 N/A TYR 4.A N ARG 41.A O no hydrogen 2.902 N/A TYR 4.A OH HIS 28.A ND1 no hydrogen 3.101 N/A ILE 5.A N ILE 107.A O no hydrogen 2.974 N/A TYR 6.A N VAL 43.A O no hydrogen 3.031 N/A GLU 9.A N GLU 9.A OE1 no hydrogen 2.723 N/A TYR 10.A N SER 7.A OG no hydrogen 2.959 N/A TYR 10.A OH ASN 108.A OD1 no hydrogen 2.807 N/A VAL 11.A N SER 7.A O no hydrogen 2.977 N/A SER 12.A N PRO 8.A O no hydrogen 3.127 N/A SER 12.A OG PRO 8.A O no hydrogen 2.992 N/A MET 13.A N GLU 9.A O no hydrogen 3.045 N/A CYS 14.A N TYR 10.A O no hydrogen 3.064 N/A CYS 14.A SG TYR 10.A O no hydrogen 3.214 N/A CYS 14.A SG SER 110.A OG.A no hydrogen 2.609 N/A ASP 15.A N VAL 11.A O no hydrogen 2.942 N/A SER 16.A N MET 13.A O no hydrogen 3.164 N/A SER 16.A OG MET 13.A O no hydrogen 2.474 N/A ILE 20.A N LEU 17.A O no hydrogen 3.292 N/A LYS 22.A N ASP 15.A O no hydrogen 3.373 N/A ARG 23.A N ILE 20.A O no hydrogen 3.335 N/A ARG 23.A NH1 GLY 275.A O no hydrogen 2.867 N/A ARG 23.A NH1 GLY 277.A O no hydrogen 2.985 N/A ARG 23.A NH2 GLY 275.A O no hydrogen 2.922 N/A ASP 25.A N ASP 15.A OD2 no hydrogen 2.963 N/A MET 26.A N LYS 22.A O no hydrogen 3.064 N/A VAL 27.A N ARG 23.A O no hydrogen 2.780 N/A HIS 28.A N ALA 24.A O no hydrogen 3.017 N/A HIS 28.A ND1 TYR 4.A OH no hydrogen 3.101 N/A SER 29.A N ASP 25.A O no hydrogen 2.794 N/A SER 29.A OG ASP 25.A O no hydrogen 2.676 N/A SER 29.A OG ASP 25.A OD1 no hydrogen 3.158 N/A LEU 30.A N MET 26.A O no hydrogen 3.118 N/A ILE 31.A N VAL 27.A O no hydrogen 3.255 N/A GLU 32.A N HIS 28.A O no hydrogen 2.754 N/A ALA 33.A N SER 29.A O no hydrogen 2.752 N/A TYR 34.A N LEU 30.A O no hydrogen 3.128 N/A TYR 34.A N ILE 31.A O no hydrogen 3.202 N/A TYR 34.A OH SER 300.A O no hydrogen 2.770 N/A ALA 35.A N GLU 32.A O no hydrogen 2.807 N/A LEU 36.A N ILE 31.A O no hydrogen 3.165 N/A LYS 38.A N ALA 35.A O no hydrogen 3.351 N/A GLN 39.A N LEU 36.A O no hydrogen 3.100 N/A MET 40.A N HIS 37.A O no hydrogen 3.439 N/A ARG 41.A N PRO 2.A O no hydrogen 2.863 N/A VAL 43.A N TYR 4.A O no hydrogen 3.054 N/A LYS 46.A N THR 93.A OG1 no hydrogen 3.133 N/A ALA 48.A N ALA 85.A O no hydrogen 3.095 N/A SER 49.A N GLU 52.A OE1 no hydrogen 2.851 N/A GLU 52.A N SER 49.A OG no hydrogen 3.275 N/A MET 53.A N SER 49.A O no hydrogen 3.102 N/A THR 55.A N GLU 52.A O no hydrogen 3.383 N/A THR 55.A OG1 GLU 52.A O no hydrogen 2.635 N/A HIS 57.A N MET 53.A O no hydrogen 3.150 N/A THR 58.A N LYS 118.A O no hydrogen 2.724 N/A THR 58.A OG1 LYS 118.A O no hydrogen 3.441 N/A TYR 61.A N THR 58.A OG1 no hydrogen 3.213 N/A TYR 61.A OH TYR 126.A O no hydrogen 2.599 N/A LEU 62.A N THR 58.A O no hydrogen 3.096 N/A GLN 63.A N ASP 59.A O no hydrogen 2.867 N/A HIS 64.A N ALA 60.A O no hydrogen 2.994 N/A LEU 65.A N TYR 61.A O no hydrogen 2.723 N/A GLN 66.A N LEU 62.A O no hydrogen 3.016 N/A LYS 67.A N GLN 63.A O no hydrogen 3.169 N/A LYS 67.A N HIS 64.A O no hydrogen 3.186 N/A VAL 68.A N HIS 64.A O no hydrogen 3.129 N/A GLN 70.A N LYS 67.A O no hydrogen 3.216 N/A GLU 73.A N SER 71.A OG no hydrogen 3.185 N/A TYR 74.A N SER 71.A O no hydrogen 3.517 N/A GLY 75.A N ILE 72.A O no hydrogen 3.421 N/A GLY 79.A N SER 69.A O no hydrogen 3.028 N/A PHE 81.A N SER 69.A OG no hydrogen 3.122 N/A TYR 83.A N GLY 79.A O no hydrogen 3.267 N/A ALA 84.A N ILE 80.A O no hydrogen 3.023 N/A ALA 85.A N PHE 81.A O no hydrogen 2.969 N/A ALA 86.A N ASP 82.A O no hydrogen 3.057 N/A ILE 87.A N TYR 83.A O no hydrogen 3.209 N/A GLY 88.A N ALA 84.A O no hydrogen 2.867 N/A GLY 89.A N ALA 85.A O no hydrogen 2.872 N/A ALA 90.A N ALA 86.A O no hydrogen 2.975 N/A THR 91.A N ILE 87.A O no hydrogen 3.085 N/A THR 91.A OG1 ILE 87.A O no hydrogen 3.257 N/A THR 91.A OG1 ASP 129.A OD2 no hydrogen 2.835 N/A ILE 92.A N GLY 88.A O no hydrogen 3.208 N/A THR 93.A N GLY 89.A O no hydrogen 2.912 N/A THR 93.A OG1 GLY 89.A O no hydrogen 2.594 N/A ALA 94.A N ALA 90.A O no hydrogen 3.066 N/A ALA 95.A N THR 91.A O no hydrogen 2.892 N/A GLN 96.A N ILE 92.A O no hydrogen 2.646 N/A GLN 96.A NE2 ASP 100.A OD1 no hydrogen 2.640 N/A GLN 96.A NE2 ASP 100.A OD2 no hydrogen 3.523 N/A CYS 97.A N THR 93.A O no hydrogen 2.969 N/A CYS 97.A SG THR 93.A O no hydrogen 3.182 N/A LEU 98.A N ALA 94.A O no hydrogen 3.315 N/A ILE 99.A N ALA 95.A O no hydrogen 3.091 N/A ASP 100.A N GLN 96.A O no hydrogen 2.834 N/A GLY 101.A N LEU 98.A O no hydrogen 3.390 N/A MET 102.A N CYS 97.A O no hydrogen 3.052 N/A CYS 103.A SG VAL 105.A O no hydrogen 3.415 N/A ALA 106.A N THR 270.A O no hydrogen 3.030 N/A ILE 107.A N VAL 3.A O no hydrogen 2.751 N/A ASN 108.A N ILE 272.A O no hydrogen 2.867 N/A ASN 108.A ND2 THR 91.A OG1 no hydrogen 2.833 N/A TRP 109.A NE1 THR 291.A OG1 no hydrogen 2.952 N/A GLY 111.A N ASN 108.A O no hydrogen 3.034 N/A GLY 112.A N ASP 129.A OD1 no hydrogen 3.172 N/A GLY 112.A N ASP 129.A OD2 no hydrogen 2.681 N/A TRP 113.A N ASP 129.A OD1 no hydrogen 2.839 N/A TRP 113.A NE1 SER 110.A O no hydrogen 2.925 N/A HIS 114.A ND1 ASP 148.A OD2 no hydrogen 2.305 N/A HIS 114.A NE2 HIS 115.A NE2 no hydrogen 2.978 N/A HIS 115.A ND1 ASP 155.A OD2 no hydrogen 2.857 N/A LYS 117.A N GLU 120.A O no hydrogen 2.727 N/A LYS 117.A NZ ASP 155.A OD1 no hydrogen 3.074 N/A ALA 121.A N TYR 74.A O no hydrogen 2.735 N/A SER 122.A N CYS 125.A O no hydrogen 3.030 N/A CYS 125.A N SER 122.A O no hydrogen 2.928 N/A CYS 125.A SG GLY 123.A O no hydrogen 3.265 N/A ASN 128.A N HIS 57.A NE2 no hydrogen 2.977 N/A ASN 128.A ND2 ALA 116.A O no hydrogen 2.975 N/A VAL 131.A N ASN 128.A OD1 no hydrogen 3.176 N/A LEU 132.A N ASN 128.A O no hydrogen 3.256 N/A GLY 133.A N ASP 129.A O no hydrogen 2.944 N/A ILE 134.A N ALA 130.A O no hydrogen 3.016 N/A LEU 135.A N VAL 131.A O no hydrogen 2.784 N/A ARG 136.A N LEU 132.A O no hydrogen 3.254 N/A ARG 136.A NH2 GLN 96.A OE1 no hydrogen 2.583 N/A LEU 137.A N GLY 133.A O no hydrogen 3.082 N/A ARG 138.A NH1 PHE 141.A O no hydrogen 3.175 N/A ARG 139.A N ARG 136.A O no hydrogen 3.186 N/A LYS 140.A N LEU 137.A O no hydrogen 3.369 N/A LYS 140.A NZ ILE 99.A O no hydrogen 3.470 N/A PHE 141.A N LEU 137.A O no hydrogen 3.016 N/A ILE 144.A N LYS 166.A O no hydrogen 3.025 N/A LEU 145.A N ALA 231.A O no hydrogen 2.820 N/A TYR 146.A N MET 168.A O no hydrogen 2.799 N/A TYR 146.A OH ASP 148.A OD2 no hydrogen 2.643 N/A VAL 147.A N VAL 233.A O no hydrogen 2.905 N/A ASP 148.A N VAL 170.A O no hydrogen 2.724 N/A LEU 149.A N GLN 235.A O no hydrogen 2.868 N/A ASP 150.A N ASP 148.A OD1 no hydrogen 3.075 N/A LEU 151.A N ASP 239.A OD1 no hydrogen 3.184 N/A HIS 152.A N ASP 150.A OD2 no hydrogen 2.659 N/A HIS 152.A ND1 ASP 150.A OD2 no hydrogen 3.232 N/A HIS 153.A ND1 THR 183.A OG1 no hydrogen 2.797 N/A HIS 153.A NE2 GLU 158.A OE1 no hydrogen 2.846 N/A ASP 155.A N HIS 153.A O no hydrogen 2.662 N/A GLU 158.A N GLY 154.A O no hydrogen 3.224 N/A ASP 159.A N ASP 155.A O no hydrogen 3.016 N/A ALA 160.A N GLY 156.A O no hydrogen 3.217 N/A PHE 161.A N GLU 158.A O no hydrogen 3.074 N/A THR 164.A N PHE 161.A O no hydrogen 3.215 N/A LYS 166.A N THR 164.A OG1 no hydrogen 3.276 N/A LYS 166.A NZ GLU 142.A OE2 no hydrogen 2.955 N/A MET 168.A N ILE 144.A O no hydrogen 3.027 N/A THR 169.A N TYR 197.A O no hydrogen 3.361 N/A VAL 170.A N TYR 146.A O no hydrogen 2.638 N/A SER 171.A N VAL 199.A O no hydrogen 2.941 N/A SER 171.A OG HIS 173.A ND1 no hydrogen 2.963 N/A LEU 172.A N ASP 148.A O no hydrogen 3.030 N/A HIS 173.A N VAL 201.A O no hydrogen 3.257 N/A HIS 173.A ND1 SER 171.A OG no hydrogen 2.963 N/A HIS 173.A NE2 GLY 184.A O no hydrogen 2.698 N/A LYS 174.A N LEU 151.A O no hydrogen 2.824 N/A LYS 174.A NZ ASP 205.A OD1 no hydrogen 2.905 N/A LYS 174.A NZ ASP 205.A OD2 no hydrogen 3.323 N/A PHE 175.A N ILE 203.A O no hydrogen 3.375 N/A PHE 179.A N SER 176.A O no hydrogen 2.820 N/A THR 183.A OG1 HIS 153.A ND1 no hydrogen 2.797 N/A VAL 186.A N ASP 185.A OD2 no hydrogen 2.518 N/A ASP 188.A N ASP 185.A O no hydrogen 2.971 N/A GLY 190.A N ASP 188.A OD1 no hydrogen 3.390 N/A LEU 191.A N SER 162.A O no hydrogen 3.036 N/A GLY 194.A N LEU 191.A O no hydrogen 3.377 N/A ARG 195.A N GLY 192.A O no hydrogen 3.098 N/A TYR 196.A N VAL 189.A O no hydrogen 2.557 N/A TYR 197.A N GLY 194.A O no hydrogen 3.108 N/A VAL 199.A N THR 169.A O no hydrogen 2.806 N/A ASN 200.A ND2 GLU 158.A OE1 no hydrogen 3.342 N/A ASN 200.A ND2 ASP 188.A O no hydrogen 2.794 N/A VAL 201.A N SER 171.A O no hydrogen 2.885 N/A ILE 203.A N HIS 173.A O no hydrogen 2.857 N/A GLN 204.A N ASN 329.A OD1 no hydrogen 2.752 N/A GLN 204.A NE2 PHE 175.A O no hydrogen 3.376 N/A GLY 206.A N SER 248.A O no hydrogen 2.790 N/A TYR 212.A N GLN 208.A O no hydrogen 3.044 N/A TYR 213.A N ASP 209.A O no hydrogen 2.955 N/A GLN 214.A N GLU 210.A O no hydrogen 3.156 N/A ILE 215.A N LYS 211.A O no hydrogen 3.120 N/A CYS 216.A N TYR 212.A O no hydrogen 2.866 N/A GLU 217.A N TYR 213.A O no hydrogen 2.746 N/A SER 218.A N GLN 214.A O no hydrogen 3.387 N/A VAL 219.A N ILE 215.A O no hydrogen 3.039 N/A LEU 220.A N CYS 216.A O no hydrogen 2.906 N/A LYS 221.A N GLU 217.A O no hydrogen 2.983 N/A VAL 223.A N VAL 219.A O no hydrogen 2.976 N/A TYR 224.A N LEU 220.A O no hydrogen 2.924 N/A GLN 225.A N LYS 221.A O no hydrogen 3.124 N/A ALA 226.A N GLU 222.A O no hydrogen 3.111 N/A PHE 227.A N VAL 223.A O no hydrogen 2.776 N/A LYS 230.A N ARG 143.A O no hydrogen 2.650 N/A ALA 231.A N ARG 143.A O no hydrogen 3.266 N/A VAL 232.A N ALA 269.A O no hydrogen 2.815 N/A VAL 233.A N LEU 145.A O no hydrogen 2.824 N/A LEU 234.A N LEU 271.A O no hydrogen 2.688 N/A GLN 235.A N VAL 147.A O no hydrogen 2.844 N/A GLN 235.A NE2 GLY 112.A O no hydrogen 2.885 N/A GLN 235.A NE2 ASP 150.A OD1 no hydrogen 3.342 N/A LEU 236.A N LEU 273.A O no hydrogen 3.000 N/A GLY 237.A N GLN 235.A OE1 no hydrogen 3.080 N/A ALA 238.A N GLY 276.A O no hydrogen 2.809 N/A ILE 241.A N ALA 238.A O no hydrogen 3.329 N/A ALA 242.A N MET 251.A O no hydrogen 2.788 N/A ASP 244.A N ILE 241.A O no hydrogen 3.235 N/A MET 246.A N ASP 244.A OD2 no hydrogen 3.076 N/A CYS 247.A N ASP 244.A O no hydrogen 2.771 N/A SER 248.A OG MET 246.A O no hydrogen 3.373 N/A ASN 250.A N ILE 207.A O no hydrogen 2.856 N/A ASN 250.A ND2 SER 323.A O no hydrogen 2.805 N/A MET 251.A N THR 240.A O no hydrogen 3.213 N/A THR 252.A N ASP 209.A OD1 no hydrogen 2.973 N/A THR 252.A OG1 ASP 209.A OD1 no hydrogen 3.153 N/A THR 252.A OG1 ASP 209.A OD2 no hydrogen 2.212 N/A GLY 255.A N THR 252.A O no hydrogen 3.063 N/A ILE 256.A N THR 252.A O no hydrogen 3.476 N/A GLY 257.A N PRO 253.A O no hydrogen 2.843 N/A LYS 258.A N VAL 254.A O no hydrogen 3.127 N/A CYS 259.A N GLY 255.A O no hydrogen 3.459 N/A CYS 259.A SG GLY 255.A O no hydrogen 3.429 N/A LEU 260.A N ILE 256.A O no hydrogen 3.027 N/A LYS 261.A N GLY 257.A O no hydrogen 2.894 N/A TYR 262.A N LYS 258.A O no hydrogen 3.145 N/A ILE 263.A N CYS 259.A O no hydrogen 3.266 N/A ILE 263.A N LEU 260.A O no hydrogen 3.145 N/A LEU 264.A N LEU 260.A O no hydrogen 2.901 N/A GLN 265.A N LYS 261.A O no hydrogen 3.072 N/A GLN 265.A NE2 TYR 262.A O no hydrogen 2.759 N/A TRP 266.A N ILE 263.A O no hydrogen 3.153 N/A GLN 267.A N LEU 264.A O no hydrogen 2.891 N/A THR 270.A N LYS 104.A O no hydrogen 2.868 N/A THR 270.A OG1 LEU 268.A O no hydrogen 3.061 N/A LEU 271.A N VAL 232.A O no hydrogen 2.668 N/A ILE 272.A N ALA 106.A O no hydrogen 2.803 N/A LEU 273.A N LEU 234.A O no hydrogen 2.752 N/A GLY 274.A N ASN 108.A O no hydrogen 3.409 N/A GLY 276.A N ASP 150.A OD1 no hydrogen 3.204 N/A TYR 278.A N ASP 244.A OD1 no hydrogen 2.869 N/A ASN 279.A N ASP 244.A OD1 no hydrogen 3.427 N/A ASN 279.A ND2 GLY 243.A O no hydrogen 2.851 N/A ASN 282.A N ASN 279.A OD1 no hydrogen 3.276 N/A ASN 282.A ND2 ALA 242.A O no hydrogen 2.757 N/A THR 283.A N ASN 279.A O no hydrogen 2.730 N/A THR 283.A OG1 ASN 279.A O no hydrogen 2.696 N/A ALA 284.A N LEU 280.A O no hydrogen 2.903 N/A ARG 285.A N ALA 281.A O no hydrogen 2.916 N/A ARG 285.A NE VAL 317.A O no hydrogen 2.656 N/A ARG 285.A NH1 TYR 312.A O no hydrogen 2.919 N/A ARG 285.A NH1 VAL 317.A O no hydrogen 3.071 N/A ARG 285.A NH2 ASN 282.A OD1 no hydrogen 2.969 N/A CYS 286.A N ASN 282.A O no hydrogen 2.987 N/A TRP 287.A N THR 283.A O no hydrogen 3.159 N/A TRP 287.A NE1 LEU 236.A O no hydrogen 2.867 N/A THR 288.A N ALA 284.A O no hydrogen 3.058 N/A THR 288.A OG1 ALA 284.A O no hydrogen 2.750 N/A TYR 289.A N ARG 285.A O no hydrogen 3.055 N/A LEU 290.A N CYS 286.A O no hydrogen 2.826 N/A THR 291.A N TRP 287.A O no hydrogen 2.931 N/A THR 291.A OG1 TRP 287.A O no hydrogen 2.560 N/A GLY 292.A N THR 288.A O no hydrogen 3.104 N/A VAL 293.A N TYR 289.A O no hydrogen 3.009 N/A ILE 294.A N LEU 290.A O no hydrogen 2.936 N/A LEU 295.A N THR 291.A O no hydrogen 2.969 N/A GLY 296.A N VAL 293.A O no hydrogen 3.007 N/A LYS 297.A N GLY 292.A O no hydrogen 2.695 N/A SER 301.A OG GLU 319.A OE1 no hydrogen 3.206 N/A SER 301.A OG GLU 319.A OE2 no hydrogen 3.551 N/A ILE 303.A N TYR 316.A O no hydrogen 3.188 N/A HIS 306.A ND1 PRO 304.A O no hydrogen 2.829 N/A PHE 309.A N HIS 306.A O no hydrogen 3.426 N/A ALA 311.A N PHE 308.A O no hydrogen 3.105 N/A TYR 312.A N PHE 309.A O no hydrogen 3.157 N/A ASP 315.A N ASP 315.A OD2 no hydrogen 2.484 N/A TYR 316.A N TYR 312.A O no hydrogen 2.782 N/A LEU 318.A N SER 301.A O no hydrogen 2.625 N/A SER 323.A N ASN 250.A OD1 no hydrogen 2.631 N/A ARG 325.A NH1 SER 248.A O no hydrogen 3.032 N/A ARG 325.A NH2 SER 248.A O no hydrogen 3.538 N/A ARG 325.A NH2 PHE 249.A O no hydrogen 2.782 N/A ARG 328.A N ASP 205.A O no hydrogen 2.904 N/A ASN 329.A N ASP 327.A OD1 no hydrogen 2.887 N/A ASN 329.A ND2 GLN 204.A O no hydrogen 2.879 N/A ASN 329.A ND2 ASP 327.A OD1 no hydrogen 3.026 N/A ARG 333.A NE GLN 336.A OE1 no hydrogen 3.320 N/A ILE 334.A N GLU 330.A O no hydrogen 3.348 N/A GLN 335.A N PRO 331.A O no hydrogen 3.201 N/A GLN 336.A N HIS 332.A O no hydrogen 2.893 N/A ILE 337.A N ARG 333.A O no hydrogen 2.923 N/A LEU 338.A N ILE 334.A O no hydrogen 2.766 N/A ASN 339.A N GLN 335.A O no hydrogen 2.874 N/A TYR 340.A N GLN 336.A O no hydrogen 3.340 N/A ILE 341.A N ILE 337.A O no hydrogen 2.947 N/A LYS 342.A N LEU 338.A O no hydrogen 2.865 N/A GLY 343.A N ASN 339.A O no hydrogen 3.052 N/A ASN 344.A N TYR 340.A O no hydrogen 3.144 N/A LEU 345.A N ILE 341.A O no hydrogen 2.988 N/A HIS 347.A N ASN 344.A O no hydrogen 3.197 N/A HIS 347.A ND1 GLY 343.A O no hydrogen 2.815 N/A VAL 348.A N LEU 345.A O no hydrogen 2.971 N/A