Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2jxr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N PHE 171.A O no hydrogen 3.041 N/A HIS 3.A ND1 PHE 171.A O no hydrogen 3.244 N/A VAL 5.A N ALA 169.A O no hydrogen 2.732 N/A LEU 7.A N GLY 167.A O no hydrogen 2.906 N/A THR 8.A N TYR 16.A O no hydrogen 2.551 N/A ASN 9.A ND2 ASN 12.A OD1 no hydrogen 2.874 N/A TYR 10.A N GLN 14.A O no hydrogen 2.615 N/A ASN 12.A N ASN 9.A OD1 no hydrogen 2.665 N/A ASN 12.A ND2 ASP 158.A OD1 no hydrogen 2.883 N/A ALA 13.A N TYR 10.A O no hydrogen 3.262 N/A GLN 14.A NE2 PHE 115.A O no hydrogen 3.613 N/A TYR 15.A OH GLY 157.A O no hydrogen 2.664 N/A TYR 16.A N THR 8.A O no hydrogen 2.904 N/A THR 17.A N VAL 30.A O no hydrogen 3.197 N/A ILE 19.A N PHE 28.A O no hydrogen 2.950 N/A THR 20.A N SER 91.A O no hydrogen 2.797 N/A LEU 21.A N GLN 26.A O no hydrogen 2.940 N/A THR 23.A N SER 62.A OG no hydrogen 2.877 N/A THR 23.A OG1 SER 64.A OG no hydrogen 2.497 N/A GLN 26.A NE2 ASP 58.A O no hydrogen 2.788 N/A PHE 28.A N ILE 19.A O no hydrogen 3.100 N/A LYS 29.A N ASP 119.A OD2 no hydrogen 2.542 N/A LYS 29.A NZ ASP 18.A OD2 no hydrogen 3.064 N/A VAL 30.A N THR 17.A O no hydrogen 2.958 N/A ILE 31.A N GLY 120.A O no hydrogen 2.846 N/A ASP 33.A N LEU 122.A O no hydrogen 3.255 N/A THR 34.A N THR 219.A OG1 no hydrogen 3.140 N/A THR 34.A OG1 ILE 217.A O no hydrogen 2.699 N/A GLY 35.A N ASP 33.A OD1 no hydrogen 2.765 N/A SER 37.A OG TYR 126.A O no hydrogen 2.534 N/A ASN 38.A ND2 VAL 131.A O no hydrogen 3.383 N/A TRP 40.A N ILE 121.A O no hydrogen 3.060 N/A TRP 40.A NE1 TYR 76.A OH no hydrogen 3.027 N/A SER 43.A N ALA 105.A O no hydrogen 2.878 N/A SER 43.A OG GLU 104.A OE1 no hydrogen 2.657 N/A ASN 44.A N TYR 57.A O no hydrogen 3.325 N/A CYS 46.A SG SER 48.A OG no hydrogen 3.374 N/A PHE 52.A N SER 48.A O no hydrogen 2.877 N/A LEU 53.A N LEU 49.A O no hydrogen 2.981 N/A LEU 53.A N ALA 50.A O no hydrogen 3.022 N/A HIS 54.A ND1 ALA 50.A O no hydrogen 2.632 N/A HIS 54.A NE2 GLY 116.A O no hydrogen 2.889 N/A SER 55.A N ASP 119.A OD1 no hydrogen 3.276 N/A LYS 56.A NZ CYS 51.A O no hydrogen 3.393 N/A LYS 56.A NZ HIS 54.A O no hydrogen 3.270 N/A TYR 57.A N PRO 42.A O no hydrogen 2.765 N/A TYR 57.A OH ASP 88.A OD2 no hydrogen 2.534 N/A ASP 58.A N GLN 26.A OE1 no hydrogen 2.759 N/A HIS 59.A ND1 GLU 104.A OE2 no hydrogen 2.978 N/A ALA 61.A N ASP 58.A O no hydrogen 3.259 N/A SER 62.A N HIS 59.A O no hydrogen 3.272 N/A SER 62.A OG THR 23.A O no hydrogen 3.520 N/A SER 62.A OG ASP 88.A OD1 no hydrogen 3.158 N/A SER 62.A OG ASP 88.A OD2 no hydrogen 2.724 N/A SER 63.A N THR 23.A O no hydrogen 2.582 N/A SER 63.A OG THR 23.A O no hydrogen 3.251 N/A SER 64.A OG THR 23.A OG1 no hydrogen 2.497 N/A LYS 66.A N GLN 87.A O no hydrogen 3.393 N/A THR 70.A N ASN 68.A OD1 no hydrogen 2.664 N/A THR 70.A OG1 ASN 68.A OD1 no hydrogen 2.619 N/A PHE 72.A N GLY 83.A O no hydrogen 2.881 N/A TYR 76.A N GLY 79.A O no hydrogen 2.652 N/A THR 78.A OG1 THR 78.A O no hydrogen 2.202 N/A LEU 81.A N ILE 74.A O no hydrogen 2.871 N/A GLU 82.A N SER 107.A O no hydrogen 3.231 N/A GLY 83.A N PHE 72.A O no hydrogen 3.208 N/A TYR 84.A N GLU 104.A O no hydrogen 2.982 N/A TYR 84.A OH GLU 45.A OE2 no hydrogen 2.681 N/A ILE 85.A N THR 70.A O no hydrogen 2.830 N/A SER 86.A N PHE 102.A O no hydrogen 3.129 N/A SER 86.A OG GLU 104.A OE2 no hydrogen 2.587 N/A GLN 87.A N LYS 66.A O no hydrogen 2.840 N/A THR 89.A N ASP 88.A OD1 no hydrogen 2.504 N/A LEU 90.A N ILE 97.A O no hydrogen 2.621 N/A SER 91.A N THR 20.A O no hydrogen 2.794 N/A ILE 92.A N LEU 95.A O no hydrogen 2.897 N/A ILE 97.A N LEU 90.A O no hydrogen 2.649 N/A GLN 100.A N ASP 88.A O no hydrogen 2.871 N/A GLN 100.A NE2 ASP 101.A O no hydrogen 2.813 N/A GLN 100.A NE2 VAL 135.A O no hydrogen 2.690 N/A PHE 102.A N SER 86.A O no hydrogen 3.220 N/A ALA 103.A N LEU 39.A O no hydrogen 2.997 N/A GLU 104.A N TYR 84.A O no hydrogen 2.963 N/A ALA 105.A N VAL 41.A O no hydrogen 2.841 N/A THR 106.A N GLU 82.A O no hydrogen 2.846 N/A THR 106.A OG1 GLU 82.A O no hydrogen 3.084 N/A SER 107.A N GLU 82.A O no hydrogen 2.819 N/A GLU 108.A N SER 48.A OG no hydrogen 3.081 N/A PHE 115.A N LEU 111.A O no hydrogen 2.792 N/A LYS 117.A N GLN 14.A OE1 no hydrogen 3.095 N/A ASP 119.A N LYS 29.A O no hydrogen 2.669 N/A GLY 120.A N LYS 29.A O no hydrogen 3.166 N/A ILE 121.A N TRP 40.A O no hydrogen 3.311 N/A LEU 122.A N ILE 31.A O no hydrogen 2.631 N/A GLY 123.A N ASN 38.A O no hydrogen 2.908 N/A LEU 124.A N ASP 33.A O no hydrogen 2.834 N/A GLY 125.A N SER 36.A O no hydrogen 2.759 N/A TYR 126.A N ALA 192.A O no hydrogen 3.265 N/A TYR 126.A OH ASN 321.A OD1 no hydrogen 2.975 N/A ASP 127.A N TYR 139.A OH no hydrogen 3.203 N/A THR 128.A OG1 ASP 127.A OD1 no hydrogen 3.432 N/A THR 128.A OG1 LYS 191.A O no hydrogen 3.340 N/A ILE 129.A N TYR 126.A O no hydrogen 3.332 N/A SER 130.A N ASP 127.A O no hydrogen 2.689 N/A SER 130.A OG SER 37.A O no hydrogen 3.510 N/A SER 130.A OG VAL 134.A O no hydrogen 2.625 N/A VAL 131.A N ASN 38.A OD1 no hydrogen 2.640 N/A LYS 133.A N SER 130.A O no hydrogen 3.277 N/A VAL 134.A N VAL 131.A O no hydrogen 3.267 N/A ASN 140.A N PRO 136.A O no hydrogen 3.116 N/A ASN 140.A ND2 LYS 99.A O no hydrogen 3.321 N/A ALA 141.A N PRO 137.A O no hydrogen 3.274 N/A ILE 142.A N TYR 139.A O no hydrogen 3.080 N/A GLN 143.A N TYR 139.A O no hydrogen 2.974 N/A GLN 144.A N ASN 140.A O no hydrogen 2.695 N/A ASP 145.A N ILE 142.A O no hydrogen 2.873 N/A LEU 146.A N ALA 141.A O no hydrogen 3.047 N/A ARG 151.A N GLU 149.A O no hydrogen 2.813 N/A PHE 152.A N TYR 316.A O no hydrogen 3.172 N/A PHE 154.A N SER 314.A O no hydrogen 2.664 N/A TYR 155.A N GLU 168.A O no hydrogen 2.823 N/A TYR 155.A OH ILE 329.A OXT no hydrogen 3.040 N/A GLY 157.A N GLY 166.A O no hydrogen 2.998 N/A THR 159.A N ASN 12.A OD1 no hydrogen 2.942 N/A THR 159.A OG1 ASN 12.A OD1 no hydrogen 3.067 N/A THR 159.A OG1 ASP 158.A OD1 no hydrogen 3.560 N/A SER 160.A N ASP 158.A OD1 no hydrogen 3.308 N/A SER 160.A OG ASP 158.A OD1 no hydrogen 2.910 N/A GLU 168.A N TYR 155.A O no hydrogen 3.085 N/A ALA 169.A N VAL 5.A O no hydrogen 2.973 N/A THR 170.A N ALA 153.A O no hydrogen 3.206 N/A THR 170.A OG1 ASP 4.A OD1 no hydrogen 2.718 N/A PHE 171.A N HIS 3.A O no hydrogen 2.820 N/A GLY 172.A N ARG 151.A O no hydrogen 2.727 N/A ASP 175.A N TYR 313.A OH no hydrogen 3.085 N/A SER 177.A N ASP 175.A OD1 no hydrogen 3.454 N/A SER 177.A OG ASP 175.A OD1 no hydrogen 3.140 N/A LYS 178.A NZ SER 177.A OG no hydrogen 3.072 N/A LYS 180.A N LYS 327.A O no hydrogen 3.198 N/A THR 184.A N LEU 325.A O no hydrogen 2.658 N/A LEU 186.A N VAL 323.A O no hydrogen 2.886 N/A VAL 188.A N ASN 321.A O no hydrogen 2.973 N/A ARG 189.A N GLU 195.A O no hydrogen 2.659 N/A ARG 189.A NE GLU 195.A OE2 no hydrogen 3.249 N/A ARG 190.A NH2 VAL 298.A O no hydrogen 2.895 N/A ALA 192.A N TYR 193.A O no hydrogen 3.430 N/A TRP 194.A NE1 LEU 124.A O no hydrogen 2.870 N/A VAL 196.A N ALA 215.A O no hydrogen 2.950 N/A PHE 198.A N HIS 213.A O no hydrogen 3.005 N/A GLU 199.A N ASN 264.A O no hydrogen 3.044 N/A ILE 201.A N ALA 208.A O no hydrogen 2.896 N/A GLY 202.A N ILE 262.A O no hydrogen 3.099 N/A LEU 203.A N GLU 206.A O no hydrogen 2.901 N/A ALA 208.A N ILE 201.A O no hydrogen 2.772 N/A LEU 210.A N GLU 199.A O no hydrogen 2.867 N/A HIS 213.A ND1 GLU 211.A O no hydrogen 2.827 N/A GLY 214.A N PRO 300.A O no hydrogen 3.140 N/A ALA 215.A N VAL 196.A O no hydrogen 2.793 N/A ALA 216.A N ALA 302.A O no hydrogen 2.778 N/A ILE 217.A N TRP 194.A O no hydrogen 3.007 N/A ASP 218.A N VAL 304.A O no hydrogen 3.142 N/A THR 219.A N THR 34.A OG1 no hydrogen 3.113 N/A THR 219.A OG1 LEU 32.A O no hydrogen 2.644 N/A GLY 220.A N ASP 218.A OD1 no hydrogen 3.224 N/A THR 221.A OG1 ASP 218.A OD2 no hydrogen 2.802 N/A SER 222.A OG ALA 13.A O no hydrogen 2.725 N/A ILE 224.A N ALA 288.A O no hydrogen 3.115 N/A THR 225.A N ILE 303.A O no hydrogen 2.771 N/A LEU 226.A N THR 290.A O no hydrogen 2.682 N/A SER 228.A N ASP 293.A OD1 no hydrogen 3.178 N/A SER 228.A OG ASP 293.A OD2 no hydrogen 3.123 N/A ALA 231.A N PRO 227.A O no hydrogen 3.305 N/A ALA 231.A N SER 228.A O no hydrogen 3.207 N/A GLU 232.A N SER 228.A O no hydrogen 3.004 N/A MET 233.A N GLY 229.A O no hydrogen 3.003 N/A ILE 234.A N LEU 230.A O no hydrogen 3.163 N/A ASN 235.A N ALA 231.A O no hydrogen 3.192 N/A ASN 235.A ND2 SER 287.A OG no hydrogen 2.594 N/A ALA 236.A N GLU 232.A O no hydrogen 2.959 N/A ALA 236.A N MET 233.A O no hydrogen 2.889 N/A GLU 237.A N MET 233.A O no hydrogen 3.178 N/A GLY 239.A N ALA 236.A O no hydrogen 2.987 N/A ALA 240.A N ASN 235.A O no hydrogen 2.860 N/A LYS 241.A N THR 249.A O no hydrogen 2.695 N/A GLY 243.A N GLN 247.A O no hydrogen 3.073 N/A GLY 246.A N GLY 243.A O no hydrogen 3.161 N/A THR 249.A N LYS 241.A O no hydrogen 2.970 N/A THR 249.A OG1 LYS 241.A O no hydrogen 3.322 N/A LEU 250.A N CYS 285.A O no hydrogen 3.030 N/A ASN 253.A N ASP 251.A OD1 no hydrogen 3.273 N/A THR 254.A N ASP 251.A O no hydrogen 3.261 N/A THR 254.A OG1 ASP 251.A O no hydrogen 2.671 N/A ARG 255.A NH1 THR 278.A OG1 no hydrogen 3.302 N/A ARG 255.A NH2 GLU 280.A OE1 no hydrogen 2.846 N/A ASN 257.A N THR 254.A O no hydrogen 2.840 N/A LEU 258.A N ARG 255.A O no hydrogen 3.415 N/A LEU 261.A N ILE 272.A O no hydrogen 2.965 N/A ILE 262.A N GLY 202.A O no hydrogen 2.825 N/A PHE 263.A N PHE 270.A O no hydrogen 2.632 N/A ASN 264.A N GLY 200.A O no hydrogen 2.825 N/A PHE 265.A N TYR 268.A O no hydrogen 2.733 N/A ASN 266.A N LYS 197.A O no hydrogen 2.781 N/A TYR 268.A N PHE 265.A O no hydrogen 3.119 N/A PHE 270.A N PHE 263.A O no hydrogen 3.049 N/A THR 271.A N TYR 312.A OH no hydrogen 3.159 N/A ILE 272.A N LEU 261.A O no hydrogen 3.064 N/A GLY 273.A N ASP 276.A OD2 no hydrogen 3.269 N/A TYR 275.A OH ASP 256.A OD1 no hydrogen 3.243 N/A ASP 276.A N GLY 273.A O no hydrogen 2.927 N/A TYR 277.A N GLY 273.A O no hydrogen 2.813 N/A TYR 277.A OH PRO 259.A O no hydrogen 2.610 N/A THR 278.A OG1 PRO 274.A O no hydrogen 2.638 N/A LEU 279.A N ILE 286.A O no hydrogen 2.691 N/A VAL 281.A N SER 284.A O no hydrogen 2.767 N/A SER 284.A N VAL 281.A O no hydrogen 3.177 N/A ILE 286.A N LEU 279.A O no hydrogen 2.658 N/A SER 287.A N TYR 248.A O no hydrogen 2.873 N/A ALA 288.A N TYR 277.A O no hydrogen 2.823 N/A ILE 289.A N SER 287.A OG no hydrogen 3.027 N/A THR 290.A N ILE 224.A O no hydrogen 2.858 N/A MET 292.A N LEU 226.A O no hydrogen 2.868 N/A GLY 299.A N PRO 295.A O no hydrogen 2.845 N/A ALA 302.A N GLY 214.A O no hydrogen 2.787 N/A ILE 303.A N THR 225.A O no hydrogen 2.975 N/A VAL 304.A N ALA 216.A O no hydrogen 3.121 N/A GLY 305.A N LEU 223.A O no hydrogen 3.010 N/A ASP 306.A N THR 221.A O no hydrogen 3.033 N/A PHE 308.A N GLY 305.A O no hydrogen 3.072 N/A LEU 309.A N GLY 305.A O no hydrogen 2.997 N/A ARG 310.A N ASP 306.A O no hydrogen 2.902 N/A ARG 310.A NH1 ASN 12.A O no hydrogen 3.126 N/A ARG 310.A NH1 TYR 15.A OH no hydrogen 2.655 N/A LYS 311.A N PHE 308.A O no hydrogen 3.145 N/A LYS 311.A NZ ASP 276.A OD2 no hydrogen 3.193 N/A TYR 312.A N LEU 309.A O no hydrogen 3.206 N/A TYR 312.A OH THR 271.A O no hydrogen 3.056 N/A SER 314.A N PHE 154.A O no hydrogen 3.198 N/A SER 314.A OG TYR 316.A OH no hydrogen 2.811 N/A ILE 315.A N GLY 324.A O no hydrogen 3.021 N/A TYR 316.A N PHE 152.A O no hydrogen 2.978 N/A TYR 316.A OH SER 314.A OG no hydrogen 2.811 N/A ASP 317.A N ALA 322.A O no hydrogen 2.933 N/A GLY 319.A N LYS 150.A O no hydrogen 3.219 N/A ASN 320.A N ASP 317.A O no hydrogen 3.210 N/A ASN 320.A N ASP 317.A OD1 no hydrogen 2.984 N/A ASN 321.A N ASP 317.A O no hydrogen 2.776 N/A ALA 322.A N ASP 317.A O no hydrogen 3.388 N/A VAL 323.A N LEU 186.A O no hydrogen 2.924 N/A GLY 324.A N ILE 315.A O no hydrogen 3.030 N/A LEU 325.A N THR 184.A O no hydrogen 2.707 N/A ALA 326.A N TYR 313.A O no hydrogen 3.084 N/A LYS 327.A NZ TYR 312.A OH no hydrogen 3.512 N/A ALA 328.A N LYS 311.A O no hydrogen 2.868 N/A ILE 329.A N LYS 178.A O no hydrogen 2.966 N/A ASP 162B.A N ASP 158.A O no hydrogen 3.241 N/A