Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3oxi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N ASN 1.A OD1 no hydrogen 3.150 N/A TYR 4.A N VAL 15.A O no hydrogen 3.001 N/A TYR 4.A OH TYR 19.A O no hydrogen 2.616 N/A SER 5.A OG THR 14.A OG1 no hydrogen 3.250 N/A VAL 6.A N PHE 13.A O no hydrogen 2.860 N/A VAL 8.A N SER 11.A O no hydrogen 2.775 N/A SER 11.A N VAL 8.A O no hydrogen 2.946 N/A PHE 13.A N VAL 6.A O no hydrogen 2.880 N/A THR 14.A N TYR 98.A OH no hydrogen 2.858 N/A THR 14.A OG1 SER 5.A OG no hydrogen 3.250 N/A THR 14.A OG1 THR 12.A OG1 no hydrogen 3.422 N/A VAL 15.A N TYR 4.A O no hydrogen 2.899 N/A LYS 17.A N GLN 2.A O no hydrogen 3.104 N/A ARG 18.A NE ASP 38.A OD1 no hydrogen 3.025 N/A ARG 18.A NH2 ASP 38.A OD1 no hydrogen 3.484 N/A ARG 18.A NH2 ASP 38.A OD2 no hydrogen 3.069 N/A TYR 19.A N LEU 16.A O no hydrogen 2.975 N/A GLN 20.A N TYR 37.A O no hydrogen 2.975 N/A GLN 20.A NE2 LYS 17.A O no hydrogen 3.594 N/A LYS 23.A N ALA 35.A O no hydrogen 2.812 N/A ILE 25.A N VAL 33.A O no hydrogen 2.833 N/A GLY 26.A N VAL 33.A O no hydrogen 3.136 N/A GLY 28.A N GLY 31.A O no hydrogen 3.276 N/A GLY 31.A N GLY 28.A O no hydrogen 2.331 N/A VAL 33.A N GLY 26.A O no hydrogen 2.935 N/A CYS 34.A N ILE 47.A O no hydrogen 2.847 N/A ALA 35.A N LYS 23.A O no hydrogen 2.808 N/A ALA 36.A N VAL 45.A O no hydrogen 2.851 N/A TYR 37.A N GLN 20.A O no hydrogen 2.885 N/A TYR 37.A OH ASP 42.A OD1 no hydrogen 2.535 N/A ASP 38.A N ARG 43.A O no hydrogen 2.587 N/A ALA 39.A N ARG 18.A O no hydrogen 2.779 N/A VAL 40.A N ASP 38.A OD1 no hydrogen 3.029 N/A LEU 41.A N ASP 38.A OD1 no hydrogen 3.382 N/A ARG 43.A N ASP 38.A O no hydrogen 3.213 N/A VAL 45.A N ALA 36.A O no hydrogen 2.819 N/A ALA 46.A N MET 101.A O no hydrogen 2.973 N/A ILE 47.A N CYS 34.A O no hydrogen 2.664 N/A LYS 48.A N LEU 99.A O no hydrogen 2.944 N/A LYS 48.A NZ GLU 66.A OE1 no hydrogen 2.847 N/A LYS 49.A NZ THR 12.A O no hydrogen 2.365 N/A LYS 49.A NZ TYR 98.A OH no hydrogen 2.893 N/A LEU 50.A N VAL 97.A O no hydrogen 3.077 N/A GLN 55.A N ARG 52.A O no hydrogen 3.174 N/A ASN 56.A ND2 HIS 59.A ND1 no hydrogen 3.364 N/A GLN 57.A NE2 HIS 307.A O no hydrogen 2.658 N/A HIS 59.A N ASN 56.A OD1 no hydrogen 2.834 N/A ALA 60.A N ASN 56.A O no hydrogen 2.842 N/A LYS 61.A N GLN 57.A O no hydrogen 2.790 N/A ARG 62.A N THR 58.A O no hydrogen 3.245 N/A ALA 63.A N HIS 59.A O no hydrogen 2.909 N/A TYR 64.A N ALA 60.A O no hydrogen 3.004 N/A ARG 65.A N LYS 61.A O no hydrogen 2.967 N/A GLU 66.A N ARG 62.A O no hydrogen 2.804 N/A LEU 67.A N ALA 63.A O no hydrogen 2.919 N/A VAL 68.A N TYR 64.A O no hydrogen 3.108 N/A LEU 69.A N ARG 65.A O no hydrogen 3.254 N/A MET 70.A N GLU 66.A O no hydrogen 3.145 N/A LYS 71.A N LEU 67.A O no hydrogen 3.021 N/A LYS 71.A NZ GLU 319.A OE1 no hydrogen 3.361 N/A LYS 71.A NZ ASN 322.A OD1 no hydrogen 2.128 N/A CYS 72.A N LEU 69.A O no hydrogen 3.340 N/A CYS 72.A SG VAL 68.A O no hydrogen 3.381 N/A VAL 73.A N LEU 69.A O no hydrogen 2.761 N/A HIS 75.A NE2 GLU 303.A O no hydrogen 3.132 N/A LYS 76.A NZ GLU 303.A OE2 no hydrogen 2.684 N/A ASN 77.A N HIS 75.A ND1 no hydrogen 3.264 N/A ASN 77.A ND2 GLN 127.A OE1 no hydrogen 3.288 N/A ASN 77.A ND2 LEU 158.A O no hydrogen 2.889 N/A ILE 78.A N HIS 75.A O no hydrogen 3.323 N/A ILE 79.A N ILE 160.A O no hydrogen 2.998 N/A SER 80.A N GLU 102.A OE1 no hydrogen 2.991 N/A SER 80.A OG GLU 102.A OE1 no hydrogen 1.976 N/A LEU 82.A N VAL 100.A O no hydrogen 2.590 N/A ASN 83.A N VAL 100.A O no hydrogen 3.276 N/A ASN 83.A ND2 TYR 19.A OH no hydrogen 2.928 N/A VAL 84.A N ASN 83.A OD1 no hydrogen 2.936 N/A PHE 85.A N TYR 98.A O no hydrogen 2.974 N/A THR 86.A OG1 ASP 96.A O no hydrogen 2.737 N/A GLN 88.A N THR 86.A OG1 no hydrogen 3.370 N/A GLN 88.A NE2 ASP 96.A O no hydrogen 3.589 N/A LYS 89.A N GLU 93.A OE1 no hydrogen 3.243 N/A LYS 89.A NZ GLN 88.A O no hydrogen 3.510 N/A GLU 93.A N THR 90.A OG1 no hydrogen 3.397 N/A PHE 94.A N THR 90.A O no hydrogen 2.807 N/A TYR 98.A N PHE 85.A O no hydrogen 2.985 N/A TYR 98.A OH THR 12.A O no hydrogen 3.321 N/A LEU 99.A N LYS 48.A O no hydrogen 2.813 N/A VAL 100.A N ASN 83.A O no hydrogen 2.827 N/A MET 101.A N ALA 46.A O no hydrogen 2.734 N/A GLU 102.A N SER 80.A O no hydrogen 3.021 N/A ASP 105.A N VAL 152.A O no hydrogen 3.011 N/A ALA 106.A N VAL 152.A O no hydrogen 3.243 N/A LEU 108.A N PRO 147.A O no hydrogen 3.080 N/A LEU 108.A N ILE 150.A O no hydrogen 3.178 N/A ILE 112.A N LEU 108.A O no hydrogen 2.800 N/A GLN 113.A N GLN 110.A O no hydrogen 3.169 N/A MET 114.A N VAL 111.A O no hydrogen 3.136 N/A HIS 118.A ND1 TYR 294.A OH no hydrogen 2.911 N/A ARG 120.A N ASP 117.A OD2 no hydrogen 3.153 N/A ARG 120.A NH1 ASP 117.A OD1 no hydrogen 3.034 N/A ARG 120.A NH1 ASP 117.A OD2 no hydrogen 3.391 N/A MET 121.A N ASP 117.A O no hydrogen 2.863 N/A SER 122.A N HIS 118.A O no hydrogen 2.828 N/A SER 122.A OG HIS 118.A O no hydrogen 2.913 N/A TYR 123.A N GLU 119.A O no hydrogen 2.862 N/A LEU 124.A N ARG 120.A O no hydrogen 2.932 N/A LEU 125.A N MET 121.A O no hydrogen 3.132 N/A TYR 126.A N SER 122.A O no hydrogen 2.909 N/A TYR 126.A OH GLU 303.A OE1 no hydrogen 3.131 N/A GLN 127.A N TYR 123.A O no hydrogen 2.967 N/A GLN 127.A NE2 TYR 123.A O no hydrogen 3.502 N/A GLN 127.A NE2 CYS 156.A O no hydrogen 2.890 N/A MET 128.A N LEU 124.A O no hydrogen 3.038 N/A LEU 129.A N LEU 125.A O no hydrogen 2.957 N/A CYS 130.A N TYR 126.A O no hydrogen 2.946 N/A CYS 130.A SG TYR 126.A O no hydrogen 3.393 N/A GLY 131.A N GLN 127.A O no hydrogen 2.925 N/A ILE 132.A N MET 128.A O no hydrogen 2.866 N/A LYS 133.A N LEU 129.A O no hydrogen 2.837 N/A LYS 133.A NZ ASP 287.A OD1 no hydrogen 2.735 N/A LYS 133.A NZ ASP 287.A OD2 no hydrogen 3.536 N/A HIS 134.A N CYS 130.A O no hydrogen 3.108 N/A LEU 135.A N GLY 131.A O no hydrogen 3.062 N/A HIS 136.A N ILE 132.A O no hydrogen 3.039 N/A HIS 136.A NE2 ASP 185.A OD2 no hydrogen 2.794 N/A SER 137.A N LYS 133.A O no hydrogen 2.845 N/A SER 137.A OG LYS 133.A O no hydrogen 2.915 N/A ALA 138.A N HIS 134.A O no hydrogen 2.992 N/A GLY 139.A N HIS 136.A O no hydrogen 2.714 N/A ILE 140.A N LEU 135.A O no hydrogen 2.787 N/A HIS 142.A N ASP 185.A OD2 no hydrogen 3.014 N/A ARG 143.A N ASP 185.A OD1 no hydrogen 2.826 N/A ARG 143.A NE ILE 141.A O no hydrogen 3.383 N/A ARG 143.A NH2 ILE 141.A O no hydrogen 3.558 N/A ASP 144.A N HIS 142.A ND1 no hydrogen 3.081 N/A LYS 146.A NZ ASP 144.A OD1 no hydrogen 3.140 N/A LYS 146.A NZ ASP 144.A OD2 no hydrogen 2.932 N/A LYS 146.A NZ THR 166.A O no hydrogen 3.071 N/A ASN 149.A N LYS 146.A O no hydrogen 3.084 N/A ASN 149.A ND2 ASP 144.A O no hydrogen 2.460 N/A ILE 150.A N PRO 147.A O no hydrogen 3.447 N/A VAL 151.A N LYS 159.A O no hydrogen 2.904 N/A VAL 152.A N ALA 106.A O no hydrogen 2.916 N/A LYS 153.A N THR 157.A O no hydrogen 2.920 N/A SER 154.A N ASP 105.A OD2 no hydrogen 2.806 N/A CYS 156.A N LYS 153.A O no hydrogen 2.993 N/A THR 157.A N ASP 155.A OD1 no hydrogen 3.360 N/A THR 157.A OG1 ASP 155.A OD1 no hydrogen 2.605 N/A LEU 158.A N GLN 127.A OE1 no hydrogen 3.050 N/A LYS 159.A N VAL 151.A O no hydrogen 2.802 N/A LYS 159.A NZ GLU 102.A OE1 no hydrogen 2.867 N/A LYS 159.A NZ GLU 102.A OE2 no hydrogen 2.895 N/A ILE 160.A N ASN 77.A O no hydrogen 3.029 N/A LEU 161.A N ASN 149.A O no hydrogen 2.912 N/A ARG 167.A NH2 GLY 205.A O no hydrogen 3.156 N/A TYR 169.A OH GLU 195.A OE1 no hydrogen 2.409 N/A TYR 169.A OH GLU 195.A OE2 no hydrogen 3.171 N/A ARG 170.A N ARG 167.A O no hydrogen 3.509 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 2.660 N/A VAL 174.A N ALA 171.A O no hydrogen 3.067 N/A ILE 175.A N ALA 171.A O no hydrogen 3.199 N/A LEU 176.A N PRO 172.A O no hydrogen 2.783 N/A GLY 177.A N VAL 174.A O no hydrogen 2.625 N/A MET 178.A N GLU 173.A O no hydrogen 2.814 N/A GLU 182.A N GLU 182.A OE2 no hydrogen 2.706 N/A ASN 183.A ND2 PRO 280.A O no hydrogen 2.881 N/A ASN 183.A ND2 ARG 283.A O no hydrogen 3.398 N/A VAL 184.A N LYS 181.A O no hydrogen 2.979 N/A ASP 185.A N GLU 182.A O no hydrogen 3.136 N/A ILE 186.A N ASN 183.A O no hydrogen 3.097 N/A SER 188.A OG TYR 169.A O no hydrogen 2.679 N/A VAL 189.A N ASP 185.A O no hydrogen 3.178 N/A GLY 190.A N ILE 186.A O no hydrogen 2.893 N/A CYS 191.A N TRP 187.A O no hydrogen 2.850 N/A CYS 191.A SG TYR 168.A O no hydrogen 3.957 N/A CYS 191.A SG TRP 187.A O no hydrogen 3.743 N/A ILE 192.A N SER 188.A O no hydrogen 3.031 N/A ILE 192.A N VAL 189.A O no hydrogen 3.247 N/A MET 193.A N VAL 189.A O no hydrogen 2.946 N/A GLY 194.A N GLY 190.A O no hydrogen 2.748 N/A GLU 195.A N CYS 191.A O no hydrogen 3.048 N/A MET 196.A N ILE 192.A O no hydrogen 2.831 N/A VAL 197.A N MET 193.A O no hydrogen 3.188 N/A VAL 197.A N GLY 194.A O no hydrogen 3.154 N/A ARG 198.A N GLY 194.A O no hydrogen 2.830 N/A ARG 198.A NH1 LEU 252.A O no hydrogen 3.293 N/A HIS 199.A N GLU 195.A O no hydrogen 2.636 N/A HIS 199.A ND1 ILE 112.A O no hydrogen 2.896 N/A ARG 206.A N ASP 210.A OD2 no hydrogen 3.045 N/A ASP 210.A N ASP 207.A OD2 no hydrogen 3.486 N/A GLN 211.A N ASP 207.A O no hydrogen 2.805 N/A TRP 212.A N TYR 208.A O no hydrogen 2.930 N/A ASN 213.A N ILE 209.A O no hydrogen 3.342 N/A LYS 214.A N ASP 210.A O no hydrogen 3.248 N/A LYS 214.A NZ ASP 210.A OD1 no hydrogen 2.559 N/A LYS 214.A NZ ASP 210.A OD2 no hydrogen 3.084 N/A VAL 215.A N GLN 211.A O no hydrogen 3.127 N/A ILE 216.A N TRP 212.A O no hydrogen 2.872 N/A GLU 217.A N ASN 213.A O no hydrogen 2.659 N/A GLN 218.A N LYS 214.A O no hydrogen 3.198 N/A GLN 218.A N VAL 215.A O no hydrogen 3.297 N/A GLN 218.A NE2 LEU 202.A O no hydrogen 2.682 N/A GLN 218.A NE2 LYS 214.A O no hydrogen 3.589 N/A LEU 219.A N VAL 215.A O no hydrogen 2.807 N/A GLY 220.A N ILE 216.A O no hydrogen 2.802 N/A THR 221.A N TYR 244.A O no hydrogen 2.906 N/A THR 221.A OG1 TYR 244.A O no hydrogen 3.131 N/A PHE 226.A N CYS 223.A O no hydrogen 2.840 N/A MET 227.A N CYS 223.A O no hydrogen 3.202 N/A LYS 228.A N PRO 224.A O no hydrogen 2.767 N/A LEU 230.A N MET 227.A O no hydrogen 2.600 N/A ARG 235.A N GLN 231.A O no hydrogen 2.857 N/A ASN 236.A N PRO 232.A O no hydrogen 2.918 N/A ASN 236.A N THR 233.A O no hydrogen 3.275 N/A TYR 237.A N THR 233.A O no hydrogen 3.444 N/A VAL 238.A N VAL 234.A O no hydrogen 3.033 N/A GLU 239.A N ARG 235.A O no hydrogen 3.122 N/A ASN 240.A N TYR 237.A O no hydrogen 3.009 N/A TYR 244.A N PRO 242.A O no hydrogen 3.105 N/A LEU 247.A N GLN 218.A O no hydrogen 2.994 N/A THR 248.A OG1 LEU 247.A O no hydrogen 2.323 N/A LEU 252.A N THR 248.A O no hydrogen 2.968 N/A PHE 253.A N PHE 249.A O no hydrogen 2.879 N/A LEU 257.A N PRO 254.A O no hydrogen 2.963 N/A PHE 258.A N ASP 255.A O no hydrogen 3.030 N/A LYS 264.A NZ GLN 267.A OE1 no hydrogen 3.285 N/A ALA 265.A N ASN 261.A O no hydrogen 2.884 N/A SER 266.A N LYS 262.A O no hydrogen 2.926 N/A ALA 268.A N LYS 264.A O no hydrogen 2.930 N/A ARG 269.A N ALA 265.A O no hydrogen 2.979 N/A ARG 269.A NE PHE 253.A O no hydrogen 2.967 N/A ARG 269.A NH2 PHE 253.A O no hydrogen 3.014 N/A ARG 269.A NH2 ASP 255.A OD1 no hydrogen 3.011 N/A ASP 270.A N SER 266.A O no hydrogen 3.000 N/A LEU 271.A N GLN 267.A O no hydrogen 2.828 N/A LEU 272.A N ALA 268.A O no hydrogen 2.846 N/A SER 273.A N ARG 269.A O no hydrogen 2.836 N/A SER 273.A OG ASP 270.A O no hydrogen 2.996 N/A LYS 274.A N ASP 270.A O no hydrogen 3.163 N/A LYS 274.A N LEU 271.A O no hydrogen 3.029 N/A LYS 274.A NZ ASP 270.A OD1 no hydrogen 3.344 N/A LYS 274.A NZ ASP 270.A OD2 no hydrogen 2.578 N/A MET 275.A N LEU 271.A O no hydrogen 3.136 N/A LEU 276.A N LEU 272.A O no hydrogen 2.880 N/A ALA 281.A N ASP 279.A OD1 no hydrogen 3.352 N/A LYS 282.A N ASP 279.A O no hydrogen 2.944 N/A LYS 282.A NZ ASP 279.A OD2 no hydrogen 2.679 N/A ARG 283.A N PRO 280.A O no hydrogen 3.343 N/A ARG 283.A NE VAL 277.A O no hydrogen 2.988 N/A ARG 283.A NH1 GLU 173.A OE2 no hydrogen 2.925 N/A ARG 283.A NH1 ASN 183.A O no hydrogen 2.782 N/A ARG 283.A NH2 GLU 173.A OE1 no hydrogen 3.090 N/A ARG 283.A NH2 GLU 173.A OE2 no hydrogen 3.541 N/A ARG 283.A NH2 VAL 277.A O no hydrogen 3.080 N/A ILE 284.A N LYS 274.A O no hydrogen 2.822 N/A ASP 288.A N SER 285.A OG no hydrogen 3.177 N/A ALA 289.A N SER 285.A O no hydrogen 2.779 N/A LEU 290.A N VAL 286.A O no hydrogen 2.880 N/A GLN 291.A N ASP 287.A O no hydrogen 3.021 N/A HIS 292.A N ALA 289.A O no hydrogen 3.172 N/A TYR 294.A OH HIS 118.A ND1 no hydrogen 2.911 N/A ILE 295.A N HIS 292.A O no hydrogen 2.883 N/A ASN 296.A N HIS 292.A O no hydrogen 2.569 N/A TRP 298.A N ILE 295.A O no hydrogen 3.212 N/A TRP 298.A NE1 SER 122.A OG no hydrogen 2.935 N/A TYR 299.A N ASN 296.A O no hydrogen 3.018 N/A ASP 300.A N TYR 126.A OH no hydrogen 3.104 N/A ALA 302.A N ASP 300.A OD1 no hydrogen 3.236 N/A GLU 303.A N ASP 300.A O no hydrogen 2.767 N/A VAL 304.A N ASP 300.A O no hydrogen 3.390 N/A THR 308.A N GLU 311.A OE1 no hydrogen 3.173 N/A GLU 311.A N THR 308.A OG1 no hydrogen 3.023 N/A TRP 312.A N THR 308.A O no hydrogen 2.831 N/A LYS 313.A N ILE 309.A O no hydrogen 2.849 N/A LYS 313.A NZ PHE 94.A O no hydrogen 3.349 N/A GLU 314.A N GLU 310.A O no hydrogen 3.146 N/A LEU 315.A N GLU 311.A O no hydrogen 3.186 N/A ILE 316.A N TRP 312.A O no hydrogen 2.911 N/A TYR 317.A N LYS 313.A O no hydrogen 2.871 N/A LYS 318.A N GLU 314.A O no hydrogen 3.086 N/A GLU 319.A N LEU 315.A O no hydrogen 3.326 N/A VAL 320.A N ILE 316.A O no hydrogen 2.959 N/A VAL 320.A N TYR 317.A O no hydrogen 2.906 N/A MET 321.A N TYR 317.A O no hydrogen 3.280 N/A