Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wtr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N VAL 346.A O no hydrogen 2.930 N/A PHE 6.A N LEU 19.A O no hydrogen 2.756 N/A LYS 7.A N GLU 348.A O no hydrogen 3.203 N/A LYS 8.A N VAL 17.A O no hydrogen 3.124 N/A LYS 8.A NZ ARG 162.A O no hydrogen 2.891 N/A SER 10.A N LEU 15.A O no hydrogen 2.914 N/A SER 10.A OG LEU 15.A O no hydrogen 2.965 N/A LEU 15.A N SER 10.A OG no hydrogen 3.200 N/A VAL 17.A N LYS 8.A O no hydrogen 3.216 N/A TYR 18.A N VAL 37.A O no hydrogen 2.891 N/A LEU 19.A N PHE 6.A O no hydrogen 2.929 N/A LYS 21.A NZ GLU 32.A OE1 no hydrogen 2.957 N/A ARG 22.A NE PHE 350.A O no hydrogen 2.892 N/A ARG 22.A NH2 GLU 348.A OE2 no hydrogen 3.282 N/A ARG 22.A NH2 ASP 349.A O no hydrogen 3.454 N/A ARG 22.A NH2 PHE 350.A O no hydrogen 3.433 N/A PHE 24.A N ARG 166.A O no hydrogen 2.865 N/A VAL 25.A N GLU 32.A OE1 no hydrogen 3.280 N/A ASP 26.A N VAL 168.A O no hydrogen 2.701 N/A HIS 27.A N LEU 30.A O no hydrogen 2.860 N/A ILE 28.A N ASP 26.A OD1 no hydrogen 3.038 N/A ASP 29.A N HIS 27.A O no hydrogen 2.614 N/A GLU 32.A N VAL 25.A O no hydrogen 3.063 N/A VAL 34.A N PHE 114.A O no hydrogen 2.826 N/A VAL 37.A N TYR 18.A O no hydrogen 3.097 N/A VAL 38.A N TYR 110.A O no hydrogen 2.994 N/A LEU 39.A N THR 16.A O no hydrogen 2.934 N/A VAL 40.A N HIS 108.A O no hydrogen 2.934 N/A GLU 43.A N ASP 41.A OD1 no hydrogen 3.412 N/A ARG 48.A NE LEU 45.A O no hydrogen 3.459 N/A ARG 48.A NH2 TYR 44.A O no hydrogen 3.527 N/A ARG 49.A N ALA 148.A O no hydrogen 3.091 N/A ARG 49.A NH1 TYR 51.A OH no hydrogen 3.134 N/A VAL 50.A N PHE 84.A O no hydrogen 2.739 N/A TYR 51.A N PHE 146.A O no hydrogen 3.066 N/A VAL 52.A N VAL 81.A O no hydrogen 2.981 N/A THR 53.A N LYS 144.A O no hydrogen 2.853 N/A LEU 54.A N ALA 79.A O no hydrogen 3.150 N/A THR 55.A N GLU 142.A O no hydrogen 2.961 N/A CYS 56.A N PHE 77.A O no hydrogen 3.046 N/A ALA 57.A N ASP 140.A O no hydrogen 3.153 N/A PHE 58.A N LYS 74.A O no hydrogen 3.033 N/A ARG 59.A N GLY 138.A O no hydrogen 2.946 N/A TYR 60.A N PHE 72.A O no hydrogen 2.974 N/A GLY 61.A N ALA 136.A O no hydrogen 2.794 N/A ARG 62.A NE ASP 64.A OD1 no hydrogen 2.956 N/A ARG 62.A NH2 ASP 64.A OD2 no hydrogen 2.899 N/A LEU 70.A N VAL 67.A O no hydrogen 3.269 N/A THR 71.A N VAL 67.A O no hydrogen 2.989 N/A PHE 72.A N TYR 60.A O no hydrogen 2.959 N/A LYS 74.A N PHE 58.A O no hydrogen 3.097 N/A LEU 76.A N CYS 56.A O no hydrogen 2.867 N/A PHE 77.A N CYS 56.A O no hydrogen 3.286 N/A ALA 79.A N LEU 54.A O no hydrogen 3.068 N/A VAL 81.A N VAL 52.A O no hydrogen 3.278 N/A SER 83.A N VAL 50.A O no hydrogen 2.910 N/A SER 83.A OG PRO 111.A O no hydrogen 3.460 N/A PHE 84.A N VAL 50.A O no hydrogen 3.291 N/A GLU 89.A N ASP 90.A OD1 no hydrogen 2.811 N/A THR 95.A N GLN 98.A OE1 no hydrogen 3.432 N/A THR 95.A OG1 ASP 35.A OD1 no hydrogen 3.334 N/A GLN 98.A N THR 95.A OG1 no hydrogen 3.083 N/A GLN 98.A NE2 GLY 36.A O no hydrogen 3.033 N/A GLN 98.A NE2 THR 113.A OG1 no hydrogen 2.923 N/A GLU 99.A N THR 95.A O no hydrogen 3.017 N/A ARG 100.A N ARG 96.A O no hydrogen 3.307 N/A LEU 101.A N LEU 97.A O no hydrogen 2.922 N/A ILE 102.A N GLN 98.A O no hydrogen 3.164 N/A ILE 102.A N GLU 99.A O no hydrogen 3.170 N/A LYS 103.A N GLU 99.A O no hydrogen 3.048 N/A LYS 104.A N ARG 100.A O no hydrogen 3.144 N/A LEU 105.A N LEU 101.A O no hydrogen 3.191 N/A TYR 110.A N VAL 38.A O no hydrogen 3.117 N/A PHE 112.A N GLY 36.A O no hydrogen 3.226 N/A PHE 114.A N VAL 34.A O no hydrogen 3.371 N/A SER 123.A N LYS 167.A O no hydrogen 3.273 N/A VAL 124.A N VAL 139.A O no hydrogen 3.401 N/A THR 125.A N LEU 284.A O no hydrogen 2.683 N/A THR 125.A OG1 GLY 286.A O no hydrogen 3.478 N/A ASP 132.A N GLY 129.A O no hydrogen 3.278 N/A LYS 135.A N ASP 132.A O no hydrogen 3.372 N/A LYS 135.A NZ ASP 132.A OD2 no hydrogen 3.055 N/A ALA 136.A N THR 133.A O no hydrogen 3.306 N/A GLY 138.A N ARG 59.A O no hydrogen 3.289 N/A ASP 140.A N ALA 57.A O no hydrogen 3.241 N/A TYR 141.A OH PRO 121.A O no hydrogen 2.659 N/A GLU 142.A N THR 55.A O no hydrogen 2.873 N/A VAL 143.A N LEU 163.A O no hydrogen 3.057 N/A LYS 144.A N THR 53.A O no hydrogen 2.915 N/A ALA 145.A N VAL 161.A O no hydrogen 3.435 N/A PHE 146.A N TYR 51.A O no hydrogen 3.083 N/A ALA 148.A N ARG 49.A O no hydrogen 2.896 N/A LEU 151.A N ASN 150.A OD1 no hydrogen 2.740 N/A ASN 159.A N HIS 156.A O no hydrogen 2.716 N/A SER 160.A N HIS 156.A O no hydrogen 3.146 N/A VAL 161.A N ALA 145.A O no hydrogen 2.986 N/A LEU 163.A N VAL 143.A O no hydrogen 2.761 N/A ARG 166.A NE ASP 23.A OD1 no hydrogen 3.501 N/A ARG 166.A NH2 ASP 23.A OD2 no hydrogen 3.327 N/A ARG 166.A NH2 ASP 292.A O no hydrogen 3.269 N/A LYS 167.A N SER 123.A OG no hydrogen 3.043 N/A LYS 167.A NZ LEU 120.A O no hydrogen 2.669 N/A LYS 167.A NZ PRO 121.A O no hydrogen 3.138 N/A LYS 167.A NZ TYR 141.A OH no hydrogen 2.941 N/A VAL 168.A N PHE 24.A O no hydrogen 3.154 N/A THR 178.A OG1 ALA 179.A O no hydrogen 3.171 N/A GLU 180.A N ALA 196.A O no hydrogen 2.850 N/A THR 182.A N LEU 194.A O no hydrogen 2.965 N/A GLN 184.A N LEU 192.A O no hydrogen 3.212 N/A SER 188.A OG LEU 186.A O no hydrogen 3.394 N/A SER 188.A OG LYS 190.A O no hydrogen 2.801 N/A LEU 192.A N GLN 184.A O no hydrogen 2.842 N/A HIS 193.A N THR 216.A O no hydrogen 2.874 N/A LEU 194.A N THR 182.A O no hydrogen 3.081 N/A ALA 196.A N GLU 180.A O no hydrogen 2.968 N/A LYS 200.A N TYR 203.A OH no hydrogen 3.037 N/A LYS 200.A NZ GLU 173.A OE2 no hydrogen 3.106 N/A LYS 200.A NZ ILE 202.A O no hydrogen 3.229 N/A LYS 200.A NZ GLU 207.A OE1 no hydrogen 2.749 N/A LYS 200.A NZ GLU 207.A OE2 no hydrogen 3.090 N/A TYR 203.A N THR 335.A O no hydrogen 2.737 N/A TYR 203.A OH ASP 199.A OD1 no hydrogen 2.693 N/A TYR 203.A OH LYS 200.A O no hydrogen 3.377 N/A TYR 204.A N GLU 207.A OE2 no hydrogen 3.091 N/A TYR 204.A OH ALA 171.A O no hydrogen 2.894 N/A TYR 204.A OH GLU 173.A OE1 no hydrogen 2.832 N/A HIS 205.A NE2 LEU 295.A O no hydrogen 2.793 N/A GLU 207.A N TYR 204.A O no hydrogen 3.104 N/A ILE 209.A N LEU 269.A O no hydrogen 2.749 N/A SER 210.A OG THR 268.A OG1 no hydrogen 2.895 N/A VAL 211.A N TYR 267.A O no hydrogen 2.778 N/A ASN 212.A N SER 197.A O no hydrogen 2.961 N/A VAL 213.A N LYS 265.A O no hydrogen 3.025 N/A HIS 214.A N GLU 195.A O no hydrogen 2.827 N/A HIS 214.A ND1 PHE 263.A O no hydrogen 3.301 N/A VAL 215.A N PHE 263.A O no hydrogen 2.870 N/A THR 216.A N HIS 193.A O no hydrogen 2.919 N/A ASN 217.A N SER 261.A O no hydrogen 3.235 N/A ASN 217.A ND2 LYS 221.A O no hydrogen 2.841 N/A ASN 217.A ND2 VAL 257.A O no hydrogen 3.358 N/A ASN 217.A ND2 ALA 258.A O no hydrogen 3.278 N/A THR 219.A N ASN 217.A OD1 no hydrogen 3.053 N/A THR 219.A OG1 ASN 217.A OD1 no hydrogen 2.765 N/A THR 219.A OG1 LYS 221.A O no hydrogen 3.565 N/A LYS 221.A N THR 219.A OG1 no hydrogen 2.966 N/A LYS 221.A NZ LEU 186.A O no hydrogen 3.164 N/A LYS 221.A NZ MET 187.A O no hydrogen 3.407 N/A LYS 221.A NZ ASN 220.A OD1 no hydrogen 3.349 N/A VAL 223.A N VAL 257.A O no hydrogen 3.215 N/A LYS 224.A N VAL 323.A O no hydrogen 2.966 N/A ILE 226.A N ALA 253.A O no hydrogen 2.765 N/A LYS 227.A N LYS 321.A O no hydrogen 2.930 N/A ILE 228.A N GLU 251.A O no hydrogen 2.976 N/A SER 229.A N LYS 319.A O no hydrogen 3.238 N/A VAL 230.A N ALA 249.A O no hydrogen 3.082 N/A ARG 231.A N LYS 317.A O no hydrogen 2.833 N/A ARG 231.A NE TYR 233.A OH no hydrogen 3.330 N/A GLN 232.A N CYS 246.A O no hydrogen 2.918 N/A GLN 232.A NE2 ALA 283.A O no hydrogen 2.975 N/A GLN 232.A NE2 TYR 316.A OH no hydrogen 3.018 N/A TYR 233.A N SER 315.A O no hydrogen 2.865 N/A TYR 233.A OH GLU 331.A OE1 no hydrogen 2.821 N/A ALA 234.A N TYR 244.A O no hydrogen 3.046 N/A ASP 235.A N ILE 313.A O no hydrogen 2.975 N/A ILE 236.A N ALA 242.A O no hydrogen 2.818 N/A CYS 237.A N GLY 311.A O no hydrogen 2.894 N/A CYS 237.A SG ASP 235.A O no hydrogen 3.778 N/A CYS 237.A SG ARG 307.A O no hydrogen 3.658 N/A ASN 240.A N LEU 238.A O no hydrogen 2.569 N/A ALA 242.A N ILE 236.A O no hydrogen 3.381 N/A TYR 244.A N ALA 234.A O no hydrogen 2.847 N/A CYS 246.A N GLN 232.A O no hydrogen 3.163 N/A CYS 246.A SG PRO 247.A O no hydrogen 3.908 N/A VAL 248.A N VAL 230.A O no hydrogen 3.027 N/A GLU 251.A N ILE 228.A O no hydrogen 2.900 N/A ALA 253.A N ILE 226.A O no hydrogen 2.867 N/A VAL 257.A N VAL 223.A O no hydrogen 3.050 N/A SER 260.A N THR 219.A O no hydrogen 3.136 N/A SER 261.A N ALA 258.A O no hydrogen 3.114 N/A SER 261.A OG ALA 258.A O no hydrogen 2.569 N/A PHE 263.A N VAL 215.A O no hydrogen 2.962 N/A CYS 264.A SG HIS 214.A ND1 no hydrogen 3.054 N/A CYS 264.A SG PHE 263.A O no hydrogen 2.988 N/A LYS 265.A N VAL 213.A O no hydrogen 3.011 N/A LYS 265.A NZ ASP 255.A OD2 no hydrogen 2.701 N/A TYR 267.A N VAL 211.A O no hydrogen 2.931 N/A TYR 267.A OH ASP 255.A OD2 no hydrogen 2.662 N/A THR 268.A OG1 SER 210.A OG no hydrogen 2.895 N/A THR 268.A OG1 TYR 267.A O no hydrogen 2.997 N/A LEU 269.A N ILE 209.A O no hydrogen 3.010 N/A ASN 275.A N PHE 272.A O no hydrogen 3.213 N/A LYS 279.A N ASN 276.A O no hydrogen 2.941 N/A GLY 281.A N GLN 127.A O no hydrogen 2.780 N/A ALA 283.A N GLN 232.A OE1 no hydrogen 3.111 N/A LEU 284.A N THR 125.A O no hydrogen 2.779 N/A ASP 285.A N ASN 294.A O no hydrogen 2.890 N/A LYS 287.A NZ GLU 63.A OE1 no hydrogen 3.382 N/A LYS 287.A NZ GLU 63.A OE2 no hydrogen 3.172 N/A HIS 290.A ND1 GLN 353.A O no hydrogen 3.225 N/A THR 293.A OG1 LYS 287.A O no hydrogen 2.576 N/A THR 293.A OG1 HIS 290.A O no hydrogen 3.267 N/A ASN 294.A N ASP 285.A OD1 no hydrogen 2.687 N/A ALA 296.A N ALA 283.A O no hydrogen 2.848 N/A SER 298.A N LEU 336.A O no hydrogen 2.892 N/A THR 299.A N VAL 314.A O no hydrogen 3.025 N/A THR 299.A OG1 ILE 312.A O no hydrogen 3.546 N/A GLY 304.A N ARG 302.A O no hydrogen 2.712 N/A GLU 308.A N ASN 306.A OD1 no hydrogen 2.838 N/A LEU 310.A N ARG 307.A O no hydrogen 3.384 N/A GLY 311.A N GLU 308.A O no hydrogen 3.439 N/A ILE 312.A N LEU 310.A O no hydrogen 2.775 N/A ILE 313.A N ASP 235.A O no hydrogen 3.023 N/A VAL 314.A N THR 299.A OG1 no hydrogen 2.968 N/A SER 315.A N TYR 233.A O no hydrogen 2.861 N/A SER 315.A OG TYR 233.A O no hydrogen 3.483 N/A TYR 316.A OH ALA 296.A O no hydrogen 2.665 N/A LYS 317.A N ARG 231.A O no hydrogen 2.991 N/A VAL 318.A N LEU 332.A O no hydrogen 2.876 N/A LYS 319.A N SER 229.A O no hydrogen 2.744 N/A VAL 320.A N VAL 330.A O no hydrogen 3.235 N/A LYS 321.A N LYS 227.A O no hydrogen 3.075 N/A LEU 322.A N VAL 328.A O no hydrogen 2.821 N/A VAL 323.A N LYS 225.A O no hydrogen 3.181 N/A SER 325.A N THR 222.A O no hydrogen 3.051 N/A SER 325.A OG THR 222.A O no hydrogen 2.783 N/A VAL 328.A N LEU 322.A O no hydrogen 3.353 N/A VAL 330.A N VAL 320.A O no hydrogen 2.998 N/A LEU 332.A N VAL 318.A O no hydrogen 2.730 N/A THR 335.A N GLU 201.A O no hydrogen 2.840 N/A LEU 336.A N SER 298.A OG no hydrogen 2.893 N/A MET 337.A N TYR 203.A O no hydrogen 2.836 N/A VAL 346.A N THR 3.A O no hydrogen 3.079 N/A PHE 350.A N ASP 349.A OD1 no hydrogen 2.971 N/A ARG 352.A NH2 ASP 23.A OD1 no hydrogen 3.564 N/A