Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8ugy_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N GLN 3.A OE1 no hydrogen 2.863 N/A LEU 8.A N GLU 4.A O no hydrogen 2.946 N/A LYS 9.A N ALA 5.A O no hydrogen 2.886 N/A ASN 10.A N GLU 6.A O no hydrogen 2.908 N/A GLN 11.A N GLN 7.A O no hydrogen 2.902 N/A ILE 12.A N LEU 8.A O no hydrogen 2.890 N/A ARG 13.A N LYS 9.A O no hydrogen 2.927 N/A ASP 14.A N ASN 10.A O no hydrogen 2.886 N/A ALA 15.A N GLN 11.A O no hydrogen 2.911 N/A ARG 16.A N ILE 12.A O no hydrogen 2.892 N/A ARG 16.A NH2 THR 215.A O no hydrogen 2.860 N/A ARG 16.A NH2 ASP 252.A OD1 no hydrogen 3.259 N/A LYS 17.A N ARG 13.A O no hydrogen 2.896 N/A ALA 18.A N ASP 14.A O no hydrogen 2.890 N/A CYS 19.A N ALA 15.A O no hydrogen 2.923 N/A CYS 19.A SG ALA 15.A O no hydrogen 3.329 N/A ALA 20.A N LYS 17.A O no hydrogen 3.136 N/A THR 23.A OG1 GLN 26.A OE1 no hydrogen 3.066 N/A GLN 26.A N THR 23.A OG1 no hydrogen 3.376 N/A ILE 27.A N THR 23.A O no hydrogen 3.244 N/A ILE 27.A N LEU 24.A O no hydrogen 3.196 N/A THR 28.A N LEU 24.A O no hydrogen 3.046 N/A THR 28.A OG1 LEU 24.A O no hydrogen 3.439 N/A THR 28.A OG1 LEU 294.A O no hydrogen 2.311 N/A VAL 34.A N ASP 292.A OD2 no hydrogen 3.512 N/A ILE 37.A N ALA 299.A O no hydrogen 2.630 N/A ARG 43.A N ILE 332.A O no hydrogen 2.969 N/A ARG 43.A NE TYR 79.A O no hydrogen 2.680 N/A ARG 43.A NH1 ARG 42.A O no hydrogen 3.255 N/A ARG 43.A NH2 TYR 79.A O no hydrogen 2.967 N/A LEU 45.A N LEU 330.A O no hydrogen 2.854 N/A HIS 48.A NE2 SER 66.A OG no hydrogen 2.347 N/A LEU 49.A N ASP 70.A OD2 no hydrogen 2.446 N/A LYS 51.A NZ TYR 53.A OH no hydrogen 3.476 N/A TYR 53.A N ALA 67.A O no hydrogen 2.947 N/A HIS 56.A N VAL 65.A O no hydrogen 3.028 N/A GLY 58.A N LEU 63.A O no hydrogen 2.763 N/A THR 59.A OG1 PRO 101.A O no hydrogen 2.697 N/A SER 61.A N GLY 58.A O no hydrogen 3.224 N/A SER 61.A OG SER 61.A O no hydrogen 2.525 N/A SER 61.A OG ASP 317.A OD1 no hydrogen 2.668 N/A SER 61.A OG ASP 317.A OD2 no hydrogen 3.153 N/A ARG 62.A N ASP 60.A OD1 no hydrogen 3.398 N/A ARG 62.A NE ASP 77.A OD1 no hydrogen 2.861 N/A ARG 62.A NE ASP 77.A OD2 no hydrogen 3.444 N/A ARG 62.A NH2 ASP 77.A OD2 no hydrogen 3.138 N/A LEU 64.A N TRP 76.A O no hydrogen 2.954 N/A VAL 65.A N HIS 56.A O no hydrogen 2.950 N/A SER 66.A N ILE 74.A O no hydrogen 2.919 N/A SER 66.A OG HIS 48.A NE2 no hydrogen 2.347 N/A ALA 67.A N ALA 54.A O no hydrogen 3.118 N/A SER 68.A OG HIS 48.A ND1 no hydrogen 2.743 N/A GLN 69.A N LYS 51.A O no hydrogen 2.944 N/A ASP 70.A N SER 68.A OG no hydrogen 3.197 N/A GLY 71.A N SER 68.A O no hydrogen 3.465 N/A LYS 72.A NZ ASP 70.A O no hydrogen 3.376 N/A LEU 73.A N ILE 87.A O no hydrogen 2.891 N/A ILE 74.A N SER 66.A O no hydrogen 2.920 N/A ILE 75.A N HIS 85.A O no hydrogen 2.866 N/A TRP 76.A N LEU 64.A O no hydrogen 2.861 N/A TRP 76.A NE1 SER 66.A OG no hydrogen 2.855 N/A ASP 77.A N ASN 82.A O no hydrogen 2.813 N/A SER 78.A N ARG 62.A O no hydrogen 3.066 N/A SER 78.A OG ARG 62.A O no hydrogen 2.472 N/A THR 80.A OG1 ASP 77.A OD2 no hydrogen 3.189 N/A THR 80.A OG1 ASN 82.A OD1 no hydrogen 2.373 N/A LYS 83.A NZ ARG 46.A O no hydrogen 2.735 N/A HIS 85.A N ILE 75.A O no hydrogen 2.966 N/A ILE 87.A N LEU 73.A O no hydrogen 2.877 N/A LEU 89.A N GLY 71.A O no hydrogen 2.652 N/A TRP 93.A N SER 91.A OG no hydrogen 3.422 N/A MET 95.A N GLY 109.A O no hydrogen 2.854 N/A THR 96.A N GLY 109.A O no hydrogen 2.934 N/A CYS 97.A SG VAL 65.A O no hydrogen 3.986 N/A ALA 98.A N ALA 107.A O no hydrogen 2.872 N/A TYR 99.A N HIS 56.A ND1 no hydrogen 3.147 N/A ALA 100.A N TYR 105.A O no hydrogen 3.063 N/A SER 102.A OG ASP 148.A OD1 no hydrogen 2.677 N/A SER 102.A OG ASP 148.A OD2 no hydrogen 2.790 N/A GLY 103.A N ALA 100.A O no hydrogen 2.946 N/A ASN 104.A ND2 ASP 148.A OD2 no hydrogen 3.076 N/A VAL 106.A N TYR 118.A O no hydrogen 2.939 N/A ALA 107.A N ALA 98.A O no hydrogen 2.918 N/A CYS 108.A N SER 116.A O no hydrogen 2.934 N/A CYS 108.A SG TYR 118.A OH no hydrogen 3.689 N/A GLY 109.A N THR 96.A O no hydrogen 2.896 N/A GLY 110.A N ASP 112.A OD1 no hydrogen 3.247 N/A LEU 111.A N TRP 93.A O no hydrogen 3.143 N/A ASN 113.A N GLY 110.A O no hydrogen 3.217 N/A CYS 115.A SG CYS 108.A O no hydrogen 3.923 N/A SER 116.A OG GLU 132.A OE2 no hydrogen 2.948 N/A ILE 117.A N ARG 131.A O no hydrogen 2.887 N/A TYR 118.A N VAL 106.A O no hydrogen 2.856 N/A ASN 119.A N ARG 128.A O no hydrogen 3.144 N/A LEU 120.A N ASN 104.A O no hydrogen 2.694 N/A LYS 121.A N ASN 119.A OD1 no hydrogen 3.158 N/A LYS 121.A NZ ASN 104.A OD1 no hydrogen 3.398 N/A GLY 125.A N THR 122.A O no hydrogen 3.331 N/A ARG 131.A N ILE 117.A O no hydrogen 2.939 N/A LEU 140.A N GLY 110.A O no hydrogen 2.929 N/A SER 141.A N SER 154.A O no hydrogen 2.915 N/A SER 141.A OG SER 154.A O no hydrogen 3.080 N/A SER 141.A OG SER 154.A OG no hydrogen 2.850 N/A SER 141.A OG VAL 181.A O no hydrogen 2.382 N/A CYS 142.A N SER 154.A O no hydrogen 3.262 N/A CYS 143.A N THR 96.A OG1 no hydrogen 3.335 N/A ARG 144.A N VAL 152.A O no hydrogen 2.915 N/A ARG 144.A NH1 CYS 97.A O no hydrogen 2.570 N/A LEU 146.A N GLN 150.A O no hydrogen 3.389 N/A ASN 149.A N ASP 147.A OD1 no hydrogen 2.986 N/A GLN 150.A N ASP 147.A OD1 no hydrogen 2.580 N/A ILE 151.A N TRP 163.A O no hydrogen 2.953 N/A VAL 152.A N ARG 144.A O no hydrogen 3.035 N/A THR 153.A N ALA 161.A O no hydrogen 2.888 N/A SER 154.A N CYS 142.A O no hydrogen 2.683 N/A SER 154.A OG SER 141.A OG no hydrogen 2.850 N/A SER 154.A OG CYS 142.A O no hydrogen 2.811 N/A SER 155.A OG HIS 136.A ND1 no hydrogen 2.677 N/A GLY 156.A N TYR 139.A O no hydrogen 2.676 N/A ASP 157.A N SER 155.A OG no hydrogen 3.309 N/A THR 158.A OG1 ASP 157.A O no hydrogen 2.459 N/A THR 158.A OG1 HIS 177.A O no hydrogen 3.501 N/A CYS 160.A N PHE 174.A O no hydrogen 2.920 N/A ALA 161.A N THR 153.A O no hydrogen 2.884 N/A LEU 162.A N THR 172.A O no hydrogen 2.894 N/A TRP 163.A N ILE 151.A O no hydrogen 2.832 N/A ASP 164.A N GLN 169.A O no hydrogen 3.387 N/A ILE 165.A N ASN 149.A O no hydrogen 2.881 N/A THR 167.A N ASP 164.A OD2 no hydrogen 3.057 N/A THR 167.A OG1 ASP 164.A OD2 no hydrogen 3.137 N/A GLY 168.A N ASP 164.A O no hydrogen 2.575 N/A THR 171.A N LEU 162.A O no hydrogen 2.711 N/A THR 171.A OG1 LEU 162.A O no hydrogen 3.116 N/A THR 173.A OG1 GLN 170.A OE1 no hydrogen 2.882 N/A PHE 174.A N CYS 160.A O no hydrogen 2.862 N/A HIS 177.A NE2 SER 195.A O no hydrogen 2.983 N/A HIS 177.A NE2 SER 195.A OG no hydrogen 2.990 N/A MET 182.A N GLY 196.A O no hydrogen 2.935 N/A SER 183.A OG GLY 196.A O no hydrogen 3.340 N/A SER 185.A N VAL 194.A O no hydrogen 3.159 N/A ALA 187.A N LEU 192.A O no hydrogen 2.990 N/A THR 190.A N ALA 187.A O no hydrogen 2.815 N/A THR 190.A OG1 ALA 187.A O no hydrogen 3.511 N/A PHE 193.A N TRP 205.A O no hydrogen 2.947 N/A VAL 194.A N SER 185.A O no hydrogen 3.227 N/A SER 195.A N LYS 203.A O no hydrogen 2.906 N/A SER 195.A OG HIS 177.A NE2 no hydrogen 2.990 N/A SER 195.A OG LYS 203.A O no hydrogen 3.550 N/A GLY 196.A N SER 183.A OG no hydrogen 3.075 N/A ALA 197.A N SER 201.A O no hydrogen 2.967 N/A CYS 198.A N ASP 180.A O no hydrogen 2.786 N/A CYS 198.A SG ASP 180.A O no hydrogen 3.616 N/A SER 201.A OG ASP 199.A OD1 no hydrogen 2.980 N/A SER 201.A OG ASP 199.A OD2 no hydrogen 2.692 N/A ALA 202.A N PHE 216.A O no hydrogen 2.933 N/A LYS 203.A N SER 195.A O no hydrogen 2.890 N/A LEU 204.A N GLN 214.A O no hydrogen 2.857 N/A TRP 205.A N PHE 193.A O no hydrogen 2.865 N/A TRP 205.A NE1 SER 195.A OG no hydrogen 2.408 N/A VAL 207.A N ARG 191.A O no hydrogen 3.106 N/A ARG 208.A N ASP 206.A OD1 no hydrogen 3.147 N/A GLU 209.A N ASP 206.A OD1 no hydrogen 3.439 N/A GLY 210.A N ASP 206.A O no hydrogen 3.012 N/A CYS 212.A SG LEU 204.A O no hydrogen 3.842 N/A CYS 212.A SG GLN 214.A O no hydrogen 3.150 N/A CYS 212.A SG THR 215.A OG1 no hydrogen 3.634 N/A ARG 213.A NH1 GLU 209.A OE2 no hydrogen 2.617 N/A ARG 213.A NH2 GLU 209.A OE2 no hydrogen 2.543 N/A GLN 214.A N LEU 204.A O no hydrogen 2.987 N/A GLN 214.A NE2 LEU 249.A O no hydrogen 3.216 N/A PHE 216.A N ALA 202.A O no hydrogen 2.872 N/A HIS 219.A NE2 THR 237.A OG1 no hydrogen 2.274 N/A GLU 220.A N ASP 241.A OD2 no hydrogen 3.190 N/A ILE 223.A N ALA 197.A O no hydrogen 3.320 N/A ASN 224.A N GLY 238.A O no hydrogen 2.903 N/A ASN 224.A ND2 ASP 240.A OD1 no hydrogen 2.430 N/A ASN 224.A ND2 ILE 267.A O no hydrogen 3.016 N/A ALA 225.A N GLY 238.A O no hydrogen 3.282 N/A CYS 227.A N ALA 236.A O no hydrogen 3.018 N/A CYS 227.A SG PHE 228.A O no hydrogen 3.325 N/A PHE 228.A N SER 185.A OG no hydrogen 2.671 N/A PHE 229.A N ALA 234.A O no hydrogen 2.490 N/A GLY 232.A N PHE 229.A O no hydrogen 2.779 N/A PHE 235.A N PHE 247.A O no hydrogen 2.919 N/A ALA 236.A N CYS 227.A O no hydrogen 2.850 N/A THR 237.A N ARG 245.A O no hydrogen 2.872 N/A THR 237.A OG1 HIS 219.A NE2 no hydrogen 2.274 N/A GLY 238.A N ALA 225.A O no hydrogen 3.091 N/A SER 239.A OG HIS 219.A ND1 no hydrogen 2.619 N/A SER 239.A OG ASP 241.A OD2 no hydrogen 2.603 N/A SER 239.A OG THR 243.A O no hydrogen 3.079 N/A ASP 240.A N ASP 222.A O no hydrogen 2.792 N/A THR 243.A OG1 ASP 241.A OD1 no hydrogen 2.325 N/A CYS 244.A N TYR 258.A O no hydrogen 2.924 N/A ARG 245.A N THR 237.A O no hydrogen 2.919 N/A ARG 245.A NH1 GLU 254.A OE1 no hydrogen 2.802 N/A LEU 246.A N MET 256.A O no hydrogen 2.922 N/A PHE 247.A N PHE 235.A O no hydrogen 2.893 N/A ASP 248.A N GLN 253.A O no hydrogen 3.198 N/A LEU 249.A N ASN 233.A O no hydrogen 3.062 N/A ARG 250.A N ASP 248.A OD2 no hydrogen 2.849 N/A ALA 251.A N ASP 248.A OD2 no hydrogen 3.353 N/A ASP 252.A N ASP 248.A O no hydrogen 2.912 N/A GLN 253.A NE2 ARG 16.A O no hydrogen 3.310 N/A LEU 255.A N LEU 246.A O no hydrogen 2.661 N/A TYR 258.A N CYS 244.A O no hydrogen 2.856 N/A TYR 258.A OH ALA 293.A O no hydrogen 2.604 N/A ASN 262.A N HIS 260.A ND1 no hydrogen 3.144 N/A CYS 265.A SG GLY 266.A O no hydrogen 3.755 N/A ILE 267.A N SER 239.A O no hydrogen 2.824 N/A THR 268.A N GLY 282.A O no hydrogen 2.906 N/A THR 268.A OG1 GLY 282.A O no hydrogen 3.213 N/A THR 268.A OG1 VAL 309.A O no hydrogen 2.220 N/A SER 271.A N LEU 280.A O no hydrogen 3.005 N/A SER 271.A OG PHE 272.A O no hydrogen 3.523 N/A SER 273.A N LEU 278.A O no hydrogen 3.126 N/A LYS 274.A NZ ASP 316.A O no hydrogen 2.937 N/A GLY 276.A N SER 273.A O no hydrogen 3.170 N/A ARG 277.A NE ASP 292.A OD1 no hydrogen 2.403 N/A ARG 277.A NH2 ASP 32.A O no hydrogen 3.432 N/A ARG 277.A NH2 ASP 292.A OD2 no hydrogen 3.201 N/A LEU 279.A N TRP 291.A O no hydrogen 2.903 N/A LEU 280.A N SER 271.A O no hydrogen 2.814 N/A ALA 281.A N ASN 289.A O no hydrogen 2.922 N/A GLY 282.A N SER 269.A O no hydrogen 2.736 N/A TYR 283.A N ASN 287.A O no hydrogen 2.919 N/A ASP 284.A N GLY 266.A O no hydrogen 3.276 N/A ASN 287.A ND2 ASP 285.A O no hydrogen 2.925 N/A CYS 288.A N LEU 302.A O no hydrogen 2.907 N/A CYS 288.A SG ALA 281.A O no hydrogen 3.169 N/A CYS 288.A SG ASN 289.A O no hydrogen 3.726 N/A ASN 289.A N ALA 281.A O no hydrogen 2.909 N/A VAL 290.A N GLY 300.A O no hydrogen 2.870 N/A TRP 291.A N LEU 279.A O no hydrogen 2.881 N/A ASP 292.A N ASP 297.A O no hydrogen 2.849 N/A ALA 293.A N ARG 277.A O no hydrogen 2.751 N/A LYS 295.A N ASP 292.A O no hydrogen 2.938 N/A LYS 295.A NZ ILE 31.A O no hydrogen 3.152 N/A ALA 296.A N ASP 292.A O no hydrogen 2.700 N/A GLY 300.A N VAL 290.A O no hydrogen 2.946 N/A LEU 302.A N CYS 288.A O no hydrogen 2.884 N/A HIS 305.A NE2 THR 323.A OG1 no hydrogen 2.537 N/A ASP 306.A N ASP 327.A OD2 no hydrogen 3.394 N/A ARG 308.A N ASN 307.A OD1 no hydrogen 2.816 N/A SER 310.A OG ILE 52.A O no hydrogen 2.273 N/A SER 310.A OG GLY 324.A O no hydrogen 3.121 N/A CYS 311.A N GLY 324.A O no hydrogen 2.920 N/A CYS 311.A SG SER 310.A OG no hydrogen 3.758 N/A CYS 311.A SG GLY 324.A O no hydrogen 3.338 N/A GLY 313.A N ALA 322.A O no hydrogen 2.909 N/A THR 315.A N ALA 320.A O no hydrogen 3.303 N/A THR 315.A OG1 ASP 317.A OD1 no hydrogen 2.795 N/A THR 315.A OG1 ALA 320.A O no hydrogen 3.364 N/A GLY 318.A N THR 315.A O no hydrogen 3.084 N/A MET 319.A N ASP 317.A OD1 no hydrogen 3.032 N/A ALA 320.A N THR 315.A OG1 no hydrogen 3.333 N/A VAL 321.A N TRP 333.A O no hydrogen 2.949 N/A ALA 322.A N GLY 313.A O no hydrogen 2.896 N/A THR 323.A N LYS 331.A O no hydrogen 2.903 N/A THR 323.A OG1 HIS 305.A NE2 no hydrogen 2.537 N/A GLY 324.A N CYS 311.A O no hydrogen 2.890 N/A SER 325.A OG ASN 307.A O no hydrogen 2.630 N/A SER 325.A OG ARG 308.A O no hydrogen 2.351 N/A TRP 326.A N ARG 308.A O no hydrogen 2.977 N/A SER 328.A N SER 325.A O no hydrogen 3.416 N/A SER 328.A OG HIS 48.A O no hydrogen 3.013 N/A SER 328.A OG ASP 327.A O no hydrogen 2.531 N/A LEU 330.A N LEU 45.A O no hydrogen 2.973 N/A LYS 331.A N THR 323.A O no hydrogen 2.910 N/A ILE 332.A N ARG 43.A O no hydrogen 2.863 N/A TRP 333.A N VAL 321.A O no hydrogen 2.850 N/A TRP 333.A NE1 THR 323.A OG1 no hydrogen 3.173 N/A