Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1rrq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N PRO 1.A O no hydrogen 2.713 N/A GLN 6.A N ALA 2.A O no hydrogen 2.856 N/A GLN 6.A NE2 ILE 169.A O no hydrogen 2.777 N/A ARG 7.A N ARG 3.A O no hydrogen 3.294 N/A ARG 7.A N GLU 4.A O no hydrogen 2.808 N/A ASP 8.A N GLU 4.A O no hydrogen 3.190 N/A LEU 9.A N PHE 5.A O no hydrogen 3.000 N/A LEU 10.A N GLN 6.A O no hydrogen 3.160 N/A ASP 11.A N ARG 7.A O no hydrogen 3.073 N/A TRP 12.A N ASP 8.A O no hydrogen 3.294 N/A PHE 13.A N LEU 9.A O no hydrogen 2.883 N/A ALA 14.A N LEU 10.A O no hydrogen 2.934 N/A ARG 15.A N ASP 11.A O no hydrogen 3.241 N/A ARG 15.A N TRP 12.A O no hydrogen 3.272 N/A GLU 16.A N PHE 13.A O no hydrogen 3.082 N/A ARG 17.A N PHE 13.A O no hydrogen 2.826 N/A ARG 17.A NH2 GLU 180.A OE1 no hydrogen 2.877 N/A ARG 18.A N GLU 184.A OE2 no hydrogen 3.348 N/A ARG 18.A NE GLU 184.A OE2 no hydrogen 3.036 N/A ARG 18.A NH2 GLU 184.A OE1 no hydrogen 2.610 N/A ARG 23.A N LEU 20.A O no hydrogen 2.852 N/A ARG 23.A NE GLU 180.A OE2 no hydrogen 3.201 N/A ARG 23.A NH1 ARG 18.A O no hydrogen 2.961 N/A LYS 24.A N PRO 21.A O no hydrogen 3.319 N/A ARG 26.A NE ASP 25.A O no hydrogen 2.750 N/A ARG 26.A NH1 GLU 180.A OE2 no hydrogen 3.541 N/A ARG 26.A NH2 ASP 25.A O no hydrogen 2.909 N/A ASP 27.A N ASP 25.A OD1 no hydrogen 2.624 N/A TYR 29.A N ASP 27.A OD1 no hydrogen 3.304 N/A TYR 29.A OH PHE 57.A O no hydrogen 2.675 N/A LYS 30.A NZ ASP 25.A OD2 no hydrogen 3.492 N/A LYS 30.A NZ ASP 27.A OD2 no hydrogen 3.070 N/A VAL 31.A N ASP 27.A O no hydrogen 2.981 N/A TRP 32.A N PRO 28.A O no hydrogen 2.882 N/A VAL 33.A N TYR 29.A O no hydrogen 2.994 N/A SER 34.A N LYS 30.A O no hydrogen 3.110 N/A SER 34.A OG LYS 30.A O no hydrogen 3.442 N/A SER 34.A OG VAL 31.A O no hydrogen 2.752 N/A GLU 35.A N VAL 31.A O no hydrogen 2.852 N/A VAL 36.A N TRP 32.A O no hydrogen 3.067 N/A MET 37.A N VAL 33.A O no hydrogen 2.947 N/A LEU 38.A N SER 34.A O no hydrogen 2.885 N/A GLN 39.A N VAL 36.A O no hydrogen 3.255 N/A GLN 39.A NE2 GLU 35.A O no hydrogen 3.426 N/A THR 41.A N LEU 38.A O no hydrogen 3.163 N/A THR 41.A OG1 MET 37.A O no hydrogen 3.241 N/A THR 41.A OG1 GLN 39.A O no hydrogen 2.937 N/A THR 45.A N ARG 42.A O no hydrogen 2.980 N/A VAL 46.A N ARG 42.A O no hydrogen 2.974 N/A ILE 47.A N VAL 43.A O no hydrogen 3.053 N/A TYR 49.A OH GLU 76.A O no hydrogen 2.439 N/A PHE 50.A N VAL 46.A O no hydrogen 2.762 N/A GLU 51.A N ILE 47.A O no hydrogen 3.101 N/A GLN 52.A N PRO 48.A O no hydrogen 3.101 N/A PHE 53.A N TYR 49.A O no hydrogen 2.697 N/A ILE 54.A N PHE 50.A O no hydrogen 2.860 N/A ASP 55.A N GLU 51.A O no hydrogen 3.168 N/A ARG 56.A N GLN 52.A O no hydrogen 3.106 N/A PHE 57.A N PHE 53.A O no hydrogen 2.807 N/A ALA 62.A N THR 59.A OG1 no hydrogen 3.417 N/A LEU 63.A N THR 59.A O no hydrogen 3.184 N/A ALA 64.A N LEU 60.A O no hydrogen 2.979 N/A ASP 65.A N GLU 61.A O no hydrogen 3.020 N/A ALA 66.A N LEU 63.A O no hydrogen 3.312 N/A VAL 71.A N ASP 67.A O no hydrogen 3.168 N/A LEU 72.A N GLU 68.A O no hydrogen 2.780 N/A LYS 73.A N ASP 69.A O no hydrogen 3.047 N/A LYS 73.A NZ GLU 76.A OE1 no hydrogen 2.684 N/A LYS 73.A NZ GLU 76.A OE2 no hydrogen 3.492 N/A LYS 73.A NZ LYS 324.A O no hydrogen 3.028 N/A LYS 73.A NZ TYR 326.A O no hydrogen 3.350 N/A ALA 74.A N GLU 70.A O no hydrogen 3.081 N/A TRP 75.A N VAL 71.A O no hydrogen 3.144 N/A TRP 75.A N LEU 72.A O no hydrogen 2.948 N/A TRP 75.A NE1 GLY 79.A O no hydrogen 3.208 N/A GLU 76.A N LYS 73.A O no hydrogen 3.174 N/A GLY 77.A N TYR 81.A OH no hydrogen 2.932 N/A LEU 78.A N TRP 75.A O no hydrogen 2.982 N/A TYR 80.A OH SER 292.A OG no hydrogen 2.676 N/A ARG 83.A N TYR 80.A O no hydrogen 3.026 N/A ARG 83.A NE TYR 80.A O no hydrogen 3.311 N/A ARG 83.A NH1 VAL 36.A O no hydrogen 2.836 N/A ARG 83.A NH1 MET 37.A O no hydrogen 2.690 N/A ARG 83.A NH2 GLY 79.A O no hydrogen 3.050 N/A VAL 84.A N TYR 81.A O no hydrogen 3.100 N/A ARG 85.A N TYR 81.A O no hydrogen 3.313 N/A ASN 86.A N SER 82.A O no hydrogen 3.017 N/A LEU 87.A N ARG 83.A O no hydrogen 2.992 N/A HIS 88.A N VAL 84.A O no hydrogen 2.866 N/A ALA 89.A N ARG 85.A O no hydrogen 3.246 N/A ALA 90.A N ASN 86.A O no hydrogen 2.928 N/A VAL 91.A N LEU 87.A O no hydrogen 2.841 N/A LYS 92.A N HIS 88.A O no hydrogen 2.953 N/A LYS 92.A NZ ALA 64.A O no hydrogen 3.073 N/A GLU 93.A N ALA 89.A O no hydrogen 2.923 N/A VAL 94.A N ALA 90.A O no hydrogen 2.854 N/A LYS 95.A N VAL 91.A O no hydrogen 3.083 N/A THR 96.A N LYS 92.A O no hydrogen 3.051 N/A THR 96.A OG1 LYS 92.A O no hydrogen 3.556 N/A THR 96.A OG1 GLU 93.A O no hydrogen 3.502 N/A ARG 97.A N GLU 93.A O no hydrogen 2.770 N/A TYR 98.A N VAL 94.A O no hydrogen 2.773 N/A GLY 100.A N VAL 94.A O no hydrogen 3.152 N/A GLY 100.A N LYS 95.A O no hydrogen 3.127 N/A LYS 101.A NZ TYR 128.A OH no hydrogen 3.431 N/A GLU 108.A N ASP 105.A OD2 no hydrogen 3.198 N/A PHE 109.A N ASP 105.A O no hydrogen 2.770 N/A SER 110.A N PRO 106.A O no hydrogen 2.629 N/A LEU 112.A N PHE 109.A O no hydrogen 3.110 N/A VAL 115.A N LEU 112.A O no hydrogen 3.203 N/A TYR 118.A OH GLU 35.A OE2 no hydrogen 2.552 N/A VAL 120.A N GLY 116.A O no hydrogen 3.152 N/A ALA 122.A N TYR 118.A O no hydrogen 2.774 N/A VAL 123.A N THR 119.A O no hydrogen 3.002 N/A LEU 124.A N VAL 120.A O no hydrogen 3.017 N/A SER 125.A N GLY 121.A O no hydrogen 3.055 N/A SER 125.A OG GLY 121.A O no hydrogen 2.470 N/A SER 125.A OG ALA 122.A O no hydrogen 3.308 N/A LEU 126.A N ALA 122.A O no hydrogen 3.049 N/A ALA 127.A N VAL 123.A O no hydrogen 3.015 N/A TYR 128.A N LEU 124.A O no hydrogen 2.836 N/A TYR 128.A OH VAL 102.A O no hydrogen 2.647 N/A GLY 129.A N SER 125.A O no hydrogen 3.209 N/A VAL 130.A N LEU 124.A O no hydrogen 3.216 N/A GLU 132.A N VAL 130.A O no hydrogen 2.797 N/A ASN 138.A ND2 ILE 183.A O no hydrogen 3.024 N/A VAL 139.A N ASN 136.A OD1 no hydrogen 2.938 N/A MET 140.A N ASN 136.A O no hydrogen 2.872 N/A ARG 141.A N GLY 137.A O no hydrogen 2.979 N/A ARG 141.A NE CYS 190.A O no hydrogen 2.916 N/A ARG 141.A NH2 GLY 186.A O no hydrogen 2.812 N/A VAL 142.A N ASN 138.A O no hydrogen 3.033 N/A LEU 143.A N VAL 139.A O no hydrogen 2.963 N/A SER 144.A N MET 140.A O no hydrogen 2.976 N/A SER 144.A OG ARG 141.A O no hydrogen 3.191 N/A ARG 145.A N VAL 142.A O no hydrogen 3.106 N/A ARG 145.A NE LEU 217.A O no hydrogen 3.193 N/A ARG 145.A NH1 THR 191.A O no hydrogen 2.878 N/A ARG 145.A NH2 THR 191.A O no hydrogen 3.245 N/A ARG 145.A NH2 PRO 192.A O no hydrogen 2.888 N/A ARG 145.A NH2 LEU 217.A O no hydrogen 2.926 N/A LEU 146.A N VAL 142.A O no hydrogen 2.948 N/A PHE 147.A N LEU 143.A O no hydrogen 2.892 N/A LEU 148.A N ARG 145.A O no hydrogen 3.209 N/A VAL 149.A N SER 144.A O no hydrogen 2.740 N/A ILE 153.A N VAL 219.A O no hydrogen 2.974 N/A ALA 154.A N ASP 152.A OD1 no hydrogen 3.128 N/A LYS 155.A N ASP 152.A O no hydrogen 3.120 N/A THR 158.A N LYS 155.A O no hydrogen 2.908 N/A THR 158.A OG1 ASP 152.A O no hydrogen 2.342 N/A THR 158.A OG1 LYS 155.A O no hydrogen 3.511 N/A ARG 159.A NE GLU 163.A OE2 no hydrogen 3.470 N/A ARG 161.A NH2 ASP 151.A OD2 no hydrogen 2.453 N/A PHE 162.A N THR 158.A O no hydrogen 3.279 N/A GLU 163.A N ARG 159.A O no hydrogen 2.881 N/A GLN 164.A N LYS 160.A O no hydrogen 2.930 N/A ILE 165.A N ARG 161.A O no hydrogen 2.959 N/A VAL 166.A N PHE 162.A O no hydrogen 3.026 N/A VAL 166.A N GLU 163.A O no hydrogen 3.183 N/A ARG 167.A N GLU 163.A O no hydrogen 2.992 N/A GLU 168.A N GLN 164.A O no hydrogen 3.074 N/A ILE 169.A N ILE 165.A O no hydrogen 3.172 N/A MET 170.A N VAL 166.A O no hydrogen 2.746 N/A TYR 172.A OH ARG 167.A O no hydrogen 2.368 N/A ASN 174.A N ALA 171.A O no hydrogen 2.876 N/A PHE 178.A N ASN 174.A O no hydrogen 3.282 N/A ASN 179.A N PRO 175.A O no hydrogen 2.721 N/A ASN 179.A ND2 SER 125.A OG no hydrogen 2.834 N/A ASN 179.A ND2 GLU 132.A O no hydrogen 2.824 N/A GLU 180.A N GLY 176.A O no hydrogen 2.972 N/A ALA 181.A N ALA 177.A O no hydrogen 2.932 N/A LEU 182.A N PHE 178.A O no hydrogen 3.158 N/A LEU 182.A N ASN 179.A O no hydrogen 3.292 N/A ILE 183.A N ASN 179.A O no hydrogen 3.416 N/A GLU 184.A N GLU 180.A O no hydrogen 3.074 N/A LEU 185.A N ALA 181.A O no hydrogen 3.056 N/A GLY 186.A N LEU 182.A O no hydrogen 3.026 N/A ALA 187.A N ILE 183.A O no hydrogen 2.798 N/A LEU 188.A N GLU 184.A O no hydrogen 2.670 N/A VAL 189.A N LEU 185.A O no hydrogen 2.719 N/A CYS 190.A N LEU 185.A O no hydrogen 2.944 N/A THR 191.A N VAL 189.A O no hydrogen 2.789 N/A THR 191.A OG1 ARG 193.A O no hydrogen 2.551 N/A SER 196.A N VAL 189.A O no hydrogen 3.099 N/A CYS 197.A SG PRO 195.A O no hydrogen 3.699 N/A LEU 199.A N SER 196.A O no hydrogen 3.027 N/A CYS 200.A N CYS 197.A O no hydrogen 2.976 N/A TYR 205.A N VAL 202.A O no hydrogen 3.049 N/A TYR 205.A OH ASP 8.A OD2 no hydrogen 2.535 N/A CYS 206.A N GLN 203.A O no hydrogen 2.699 N/A CYS 206.A SG ARG 145.A O no hydrogen 3.370 N/A GLN 207.A N LEU 146.A O no hydrogen 3.164 N/A ALA 208.A N ARG 145.A O no hydrogen 2.896 N/A ALA 210.A N CYS 206.A O no hydrogen 3.161 N/A GLU 211.A N GLN 207.A O no hydrogen 3.039 N/A GLY 212.A N PHE 209.A O no hydrogen 2.804 N/A VAL 213.A N ALA 208.A O no hydrogen 2.746 N/A ALA 214.A N ALA 208.A O no hydrogen 3.063 N/A GLU 216.A N VAL 213.A O no hydrogen 2.608 N/A MET 221.A N ASP 152.A OD1 no hydrogen 2.934 N/A VAL 225.A N VAL 295.A O no hydrogen 2.772 N/A LEU 227.A N GLN 297.A O no hydrogen 2.717 N/A ALA 228.A N CYS 259.A O no hydrogen 2.693 N/A VAL 229.A N THR 299.A O no hydrogen 2.949 N/A ALA 230.A N PRO 257.A O no hydrogen 3.034 N/A VAL 231.A N PHE 301.A O no hydrogen 3.230 N/A ALA 233.A N GLY 303.A O no hydrogen 3.092 N/A ASP 234.A N ARG 238.A O no hydrogen 2.631 N/A VAL 239.A N ALA 318.A O no hydrogen 2.832 N/A LEU 240.A N LEU 232.A O no hydrogen 2.948 N/A ILE 241.A N ARG 316.A O no hydrogen 3.123 N/A ARG 242.A N GLU 255.A O no hydrogen 2.973 N/A LYS 243.A N PRO 314.A O no hydrogen 3.295 N/A LYS 243.A NZ ASP 69.A OD2 no hydrogen 2.903 N/A ARG 244.A N LEU 253.A O no hydrogen 2.889 N/A ARG 244.A NE LEU 249.A O no hydrogen 3.033 N/A ARG 244.A NE LEU 250.A O no hydrogen 3.290 N/A ARG 244.A NH1 GLU 255.A OE1 no hydrogen 3.361 N/A ARG 244.A NH1 GLU 255.A OE2 no hydrogen 3.542 N/A ARG 244.A NH2 LEU 249.A O no hydrogen 3.103 N/A THR 247.A OG1 ASP 245.A OD2 no hydrogen 2.622 N/A ASN 252.A N ASP 245.A O no hydrogen 3.066 N/A ASN 252.A ND2 GLU 68.A OE1 no hydrogen 2.694 N/A LEU 253.A N LEU 250.A O no hydrogen 3.328 N/A TRP 254.A N ALA 327.A O no hydrogen 2.814 N/A GLU 255.A N ARG 242.A O no hydrogen 3.040 N/A PHE 256.A N HIS 332.A ND1 no hydrogen 3.157 N/A SER 258.A OG GLU 255.A OE1 no hydrogen 3.014 N/A CYS 259.A N ALA 228.A O no hydrogen 2.677 N/A LYS 269.A N GLY 266.A O no hydrogen 2.866 N/A GLU 271.A N LYS 267.A O no hydrogen 3.069 N/A GLN 272.A N GLU 268.A O no hydrogen 2.931 N/A MET 273.A N LEU 270.A O no hydrogen 2.927 N/A VAL 274.A N GLU 271.A O no hydrogen 2.857 N/A THR 281.A N PRO 302.A O no hydrogen 3.316 N/A ILE 284.A N VAL 300.A O no hydrogen 2.751 N/A SER 286.A OG LEU 298.A O no hydrogen 3.232 N/A SER 286.A OG THR 299.A OG1 no hydrogen 2.726 N/A PHE 287.A N LEU 298.A O no hydrogen 3.009 N/A HIS 289.A N TRP 296.A O no hydrogen 2.800 N/A PHE 291.A N LEU 294.A O no hydrogen 2.543 N/A SER 292.A OG TYR 80.A OH no hydrogen 2.676 N/A VAL 295.A N LYS 223.A O no hydrogen 3.042 N/A TRP 296.A N HIS 289.A O no hydrogen 2.730 N/A GLN 297.A N VAL 225.A O no hydrogen 2.708 N/A GLN 297.A NE2 GLU 288.A OE2 no hydrogen 3.083 N/A LEU 298.A N PHE 287.A O no hydrogen 2.840 N/A THR 299.A N LEU 227.A O no hydrogen 3.060 N/A THR 299.A OG1 SER 286.A OG no hydrogen 2.726 N/A VAL 300.A N VAL 285.A O no hydrogen 2.912 N/A PHE 301.A N VAL 229.A O no hydrogen 2.781 N/A LEU 305.A N ALA 233.A O no hydrogen 2.677 N/A HIS 307.A NE2 ASP 234.A OD1 no hydrogen 2.752 N/A ARG 316.A N ILE 241.A O no hydrogen 2.943 N/A ALA 318.A N VAL 239.A O no hydrogen 2.930 N/A GLU 322.A N PRO 319.A O no hydrogen 2.547 N/A LEU 323.A N GLU 320.A O no hydrogen 3.318 N/A ALA 325.A N GLU 322.A O no hydrogen 3.011 N/A TYR 326.A N LEU 323.A O no hydrogen 2.844 N/A PHE 328.A N GLU 76.A OE2 no hydrogen 2.770 N/A GLN 333.A N PRO 329.A O no hydrogen 3.167 N/A GLN 333.A N VAL 330.A O no hydrogen 3.126 N/A GLN 333.A NE2 PHE 328.A O no hydrogen 2.954 N/A ARG 334.A N VAL 330.A O no hydrogen 3.220 N/A ARG 334.A NE GLU 338.A OE1 no hydrogen 3.039 N/A ARG 334.A NH2 GLU 338.A OE1 no hydrogen 3.439 N/A VAL 335.A N SER 331.A O no hydrogen 3.049 N/A TRP 336.A N HIS 332.A O no hydrogen 3.087 N/A ARG 337.A N GLN 333.A O no hydrogen 3.033 N/A GLU 338.A N ARG 334.A O no hydrogen 2.734 N/A TYR 339.A N VAL 335.A O no hydrogen 2.975 N/A LYS 340.A N TRP 336.A O no hydrogen 2.915 N/A GLU 341.A N ARG 337.A O no hydrogen 3.033 N/A TRP 342.A N GLU 338.A O no hydrogen 2.850 N/A ALA 343.A N TYR 339.A O no hydrogen 2.937 N/A