Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8ur9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 7.A N SER 112.A OG no hydrogen 2.719 N/A SER 9.A OG GLU 13.A OE2 no hydrogen 2.621 N/A VAL 12.A N SER 9.A O no hydrogen 3.012 N/A GLU 13.A N SER 9.A O no hydrogen 2.919 N/A GLY 14.A N GLY 10.A O no hydrogen 3.359 N/A CYS 15.A N VAL 12.A O no hydrogen 2.813 N/A CYS 15.A SG LYS 11.A O no hydrogen 3.531 N/A MET 16.A N GLU 13.A O no hydrogen 3.311 N/A VAL 17.A N GLY 28.A O no hydrogen 3.019 N/A GLN 18.A N GLN 68.A O no hydrogen 3.109 N/A GLN 18.A NE2 GLN 68.A OE1 no hydrogen 3.033 N/A VAL 19.A N LEU 26.A O no hydrogen 2.790 N/A THR 20.A N LEU 66.A O no hydrogen 2.809 N/A THR 20.A OG1 THR 25.A OG1 no hydrogen 2.857 N/A CYS 21.A N THR 24.A O no hydrogen 2.927 N/A THR 24.A N CYS 21.A O no hydrogen 3.007 N/A THR 25.A OG1 THR 20.A OG1 no hydrogen 2.857 N/A LEU 26.A N VAL 19.A O no hydrogen 3.129 N/A ASN 27.A N CYS 144.A O no hydrogen 3.062 N/A ASN 27.A ND2 CYS 116.A O no hydrogen 3.084 N/A ASN 27.A ND2 GLY 142.A O no hydrogen 3.015 N/A ASN 27.A ND2 CYS 144.A O no hydrogen 2.853 N/A GLY 28.A N VAL 17.A O no hydrogen 2.728 N/A LEU 29.A N TYR 36.A O no hydrogen 2.752 N/A TRP 30.A N CYS 15.A O no hydrogen 2.686 N/A LEU 31.A N VAL 34.A O no hydrogen 2.957 N/A ASP 32.A N THR 97.A OG1 no hydrogen 3.083 N/A VAL 34.A N LEU 31.A O no hydrogen 3.033 N/A VAL 35.A N LEU 88.A O no hydrogen 2.780 N/A TYR 36.A N LEU 29.A O no hydrogen 2.911 N/A CYS 37.A N LEU 86.A O no hydrogen 3.128 N/A CYS 37.A SG PRO 38.A O no hydrogen 3.599 N/A ARG 39.A N CYS 84.A O no hydrogen 3.056 N/A ARG 39.A NE ASP 186.A OD2 no hydrogen 2.781 N/A ARG 39.A NH2 ASP 186.A OD1 no hydrogen 3.058 N/A ARG 39.A NH2 ASP 186.A OD2 no hydrogen 3.502 N/A VAL 41.A N PRO 38.A O no hydrogen 3.306 N/A ILE 42.A N ARG 39.A O no hydrogen 3.167 N/A CYS 43.A N HIS 40.A O no hydrogen 3.077 N/A CYS 43.A SG TYR 53.A OH no hydrogen 3.460 N/A GLU 46.A N THR 44.A OG1 no hydrogen 3.185 N/A ASP 47.A N THR 44.A OG1 no hydrogen 3.386 N/A MET 48.A N SER 45.A O no hydrogen 3.423 N/A ASN 50.A N ASP 47.A O no hydrogen 3.201 N/A TYR 53.A OH ASP 186.A O no hydrogen 2.975 N/A GLU 54.A N GLU 54.A OE1 no hydrogen 2.798 N/A ASP 55.A N ASN 52.A OD1 no hydrogen 3.284 N/A LEU 56.A N ASN 52.A O no hydrogen 2.858 N/A LEU 57.A N TYR 53.A O no hydrogen 2.803 N/A ILE 58.A N GLU 54.A O no hydrogen 3.120 N/A ARG 59.A NE ASP 55.A O no hydrogen 3.279 N/A ARG 59.A NE ASP 55.A OD1 no hydrogen 3.359 N/A ARG 59.A NE ASP 55.A OD2 no hydrogen 3.311 N/A ARG 59.A NH2 ASP 55.A OD1 no hydrogen 3.021 N/A LYS 60.A N LEU 57.A O no hydrogen 3.037 N/A LYS 60.A NZ ILE 42.A O no hydrogen 3.412 N/A SER 61.A N ASN 64.A OD1 no hydrogen 2.551 N/A ASN 64.A N SER 61.A O no hydrogen 2.624 N/A PHE 65.A N ASN 62.A O no hydrogen 2.905 N/A LEU 66.A N THR 20.A O no hydrogen 2.989 N/A GLN 68.A N GLN 18.A O no hydrogen 3.037 N/A GLN 68.A NE2 GLY 70.A O no hydrogen 3.387 N/A ALA 69.A N VAL 72.A O no hydrogen 2.903 N/A VAL 72.A N ALA 69.A O no hydrogen 2.863 N/A LEU 74.A N VAL 67.A O no hydrogen 2.875 N/A ILE 77.A N LYS 89.A O no hydrogen 2.799 N/A SER 80.A N LYS 87.A O no hydrogen 2.927 N/A GLN 82.A N VAL 85.A O no hydrogen 2.793 N/A ASN 83.A ND2 GLU 177.A O no hydrogen 2.905 N/A CYS 84.A N GLY 178.A O no hydrogen 2.897 N/A CYS 84.A SG ASP 186.A OD1 no hydrogen 3.639 N/A CYS 84.A SG ASP 186.A OD2 no hydrogen 3.708 N/A VAL 85.A N GLN 82.A O no hydrogen 2.913 N/A LEU 86.A N CYS 37.A O no hydrogen 2.878 N/A LYS 87.A N SER 80.A O no hydrogen 2.732 N/A LYS 87.A NZ GLN 82.A OE1 no hydrogen 2.754 N/A LEU 88.A N VAL 35.A O no hydrogen 2.787 N/A LYS 89.A N GLY 78.A O no hydrogen 2.843 N/A VAL 90.A N ASP 33.A O no hydrogen 2.803 N/A ASP 91.A N ARG 75.A O no hydrogen 3.161 N/A ASN 94.A N ASP 32.A O no hydrogen 2.797 N/A ASN 94.A ND2 GLY 14.A O no hydrogen 3.196 N/A ASN 94.A ND2 TRP 30.A O no hydrogen 2.947 N/A LYS 96.A N ASN 94.A OD1 no hydrogen 2.949 N/A THR 97.A N ASN 94.A O no hydrogen 3.159 N/A THR 97.A OG1 ASN 94.A O no hydrogen 2.553 N/A TYR 100.A OH ASP 32.A OD2 no hydrogen 3.089 N/A LYS 101.A N VAL 156.A O no hydrogen 3.050 N/A VAL 103.A N PHE 158.A O no hydrogen 3.045 N/A ARG 104.A NH1 ASP 175.A OD2 no hydrogen 2.769 N/A ARG 104.A NH1 ASN 179.A O no hydrogen 2.938 N/A ARG 104.A NH1 PHE 180.A O no hydrogen 3.057 N/A ARG 104.A NH2 PHE 180.A O no hydrogen 2.679 N/A ILE 105.A N TYR 181.A OH no hydrogen 3.095 N/A GLY 108.A N MET 129.A O no hydrogen 2.727 N/A GLN 109.A N GLN 106.A O no hydrogen 3.008 N/A GLN 109.A NE2 THR 110.A O no hydrogen 3.253 N/A THR 110.A OG1 ASP 294.A OD2 no hydrogen 2.781 N/A PHE 111.A N CYS 127.A O no hydrogen 2.990 N/A SER 112.A N PHE 149.A O no hydrogen 2.781 N/A SER 112.A OG GLN 126.A OE1 no hydrogen 2.770 N/A VAL 113.A N TYR 125.A O no hydrogen 2.714 N/A LEU 114.A N VAL 147.A O no hydrogen 3.075 N/A ALA 115.A N GLY 123.A O no hydrogen 2.843 N/A CYS 116.A N SER 146.A OG no hydrogen 3.043 N/A CYS 116.A SG LEU 114.A O no hydrogen 3.688 N/A TYR 117.A N SER 120.A O no hydrogen 3.180 N/A GLY 119.A N ASN 27.A OD1 no hydrogen 2.734 N/A SER 120.A N TYR 117.A O no hydrogen 3.202 N/A SER 120.A OG TYR 117.A O no hydrogen 2.863 N/A SER 122.A N ALA 115.A O no hydrogen 2.779 N/A SER 122.A OG ALA 115.A O no hydrogen 3.216 N/A GLY 123.A N ALA 115.A O no hydrogen 3.476 N/A TYR 125.A N VAL 113.A O no hydrogen 3.011 N/A TYR 125.A OH SER 138.A O no hydrogen 3.084 N/A CYS 127.A N PHE 111.A O no hydrogen 2.917 N/A CYS 127.A SG LYS 136.A O no hydrogen 3.717 N/A MET 129.A N GLN 109.A O no hydrogen 2.846 N/A ARG 130.A N THR 134.A O no hydrogen 2.984 N/A ARG 130.A NE ASP 196.A OD2 no hydrogen 2.821 N/A ARG 130.A NH1 ASP 288.A OD1 no hydrogen 3.032 N/A ARG 130.A NH1 ASP 288.A OD2 no hydrogen 3.275 N/A ARG 130.A NH1 GLU 289.A OE2 no hydrogen 3.344 N/A ARG 130.A NH2 THR 197.A O no hydrogen 2.927 N/A ARG 130.A NH2 ASP 288.A OD2 no hydrogen 2.754 N/A ASN 132.A ND2 GLY 194.A O no hydrogen 2.788 N/A PHE 133.A N ARG 130.A O no hydrogen 2.977 N/A THR 134.A N ASN 132.A OD1 no hydrogen 3.138 N/A THR 134.A OG1 ASN 132.A OD1 no hydrogen 2.466 N/A ILE 135.A N HIS 171.A O no hydrogen 2.913 N/A GLY 137.A N HIS 171.A ND1 no hydrogen 3.152 N/A SER 138.A N TYR 125.A OH no hydrogen 2.932 N/A LEU 140.A N TYR 117.A OH no hydrogen 2.745 N/A SER 143.A N LEU 140.A O no hydrogen 3.131 N/A SER 143.A OG LEU 140.A O no hydrogen 2.689 N/A CYS 144.A SG HIS 40.A NE2 no hydrogen 3.809 N/A CYS 144.A SG HIS 163.A O no hydrogen 3.062 N/A GLY 145.A N HIS 162.A O no hydrogen 2.858 N/A SER 146.A N SER 143.A O no hydrogen 2.940 N/A SER 146.A OG SER 143.A O no hydrogen 2.656 N/A GLY 148.A N TYR 160.A O no hydrogen 2.887 N/A PHE 149.A N SER 112.A O no hydrogen 2.786 N/A ASN 150.A N SER 157.A O no hydrogen 3.060 N/A ASN 150.A ND2 THR 110.A O no hydrogen 3.294 N/A ASP 152.A N CYS 155.A O no hydrogen 2.950 N/A ASP 154.A N ASP 154.A OD1 no hydrogen 2.562 N/A CYS 155.A N ASP 152.A O no hydrogen 2.828 N/A VAL 156.A N LYS 99.A O no hydrogen 2.988 N/A SER 157.A N ASN 150.A O no hydrogen 2.842 N/A SER 157.A OG ASN 150.A O no hydrogen 3.158 N/A SER 157.A OG ASP 152.A OD2 no hydrogen 3.493 N/A PHE 158.A N LYS 101.A O no hydrogen 2.898 N/A CYS 159.A N GLY 148.A O no hydrogen 3.147 N/A TYR 160.A N GLY 148.A O no hydrogen 3.399 N/A TYR 160.A OH HIS 162.A ND1 no hydrogen 3.157 N/A MET 161.A N THR 174.A O no hydrogen 2.857 N/A HIS 162.A N SER 146.A O no hydrogen 2.878 N/A HIS 162.A ND1 TYR 160.A OH no hydrogen 3.157 N/A HIS 163.A N ALA 172.A O no hydrogen 3.218 N/A HIS 163.A NE2 THR 174.A OG1 no hydrogen 2.912 N/A MET 164.A N ALA 172.A O no hydrogen 3.008 N/A LEU 166.A N VAL 170.A O no hydrogen 2.728 N/A GLY 169.A N LEU 166.A O no hydrogen 3.117 N/A HIS 171.A N ILE 135.A O no hydrogen 2.919 N/A HIS 171.A NE2 GLU 165.A OE1 no hydrogen 2.756 N/A ALA 172.A N MET 164.A O no hydrogen 2.905 N/A THR 174.A N MET 161.A O no hydrogen 3.101 N/A THR 174.A OG1 HIS 163.A NE2 no hydrogen 2.912 N/A THR 174.A OG1 ASP 175.A O no hydrogen 2.879 N/A ASP 175.A N ASN 179.A O no hydrogen 2.972 N/A GLU 177.A N ASP 175.A OD1 no hydrogen 2.892 N/A GLY 178.A N ASP 175.A O no hydrogen 2.914 N/A ASN 179.A N ASP 175.A OD1 no hydrogen 3.172 N/A TYR 181.A N GLY 173.A O no hydrogen 2.939 N/A TYR 181.A OH CYS 159.A O no hydrogen 2.483 N/A VAL 185.A N GLN 191.A OE1 no hydrogen 2.908 N/A ARG 187.A NE LEU 49.A O no hydrogen 3.145 N/A GLN 188.A N MET 48.A O no hydrogen 3.080 N/A GLN 191.A NE2 VAL 185.A O no hydrogen 2.999 N/A GLN 191.A NE2 THR 189.A O no hydrogen 3.453 N/A THR 197.A OG1 GLU 239.A OE2 no hydrogen 2.556 N/A THR 198.A N ASN 237.A O no hydrogen 2.862 N/A ILE 199.A N ASP 288.A OD2 no hydrogen 2.898 N/A THR 200.A OG1 GLU 239.A O no hydrogen 2.535 N/A ASN 202.A N ILE 199.A O no hydrogen 2.894 N/A ASN 202.A ND2 GLY 108.A O no hydrogen 3.022 N/A ASN 202.A ND2 ASP 288.A O no hydrogen 2.909 N/A VAL 203.A N ILE 199.A O no hydrogen 3.049 N/A LEU 204.A N THR 200.A O no hydrogen 3.021 N/A ALA 205.A N VAL 201.A O no hydrogen 3.150 N/A TRP 206.A N ASN 202.A O no hydrogen 2.988 N/A LEU 207.A N VAL 203.A O no hydrogen 2.963 N/A TYR 208.A N LEU 204.A O no hydrogen 2.975 N/A TYR 208.A OH ILE 258.A O no hydrogen 2.921 N/A ALA 209.A N ALA 205.A O no hydrogen 2.961 N/A ALA 210.A N TRP 206.A O no hydrogen 2.832 N/A VAL 211.A N LEU 207.A O no hydrogen 2.873 N/A ILE 212.A N TYR 208.A O no hydrogen 3.005 N/A ASN 213.A N ALA 209.A O no hydrogen 2.916 N/A GLY 214.A N VAL 211.A O no hydrogen 3.121 N/A ASP 215.A N ALA 210.A O no hydrogen 2.932 N/A LEU 219.A N ARG 216.A O no hydrogen 3.132 N/A ASN 220.A ND2 ALA 265.A O no hydrogen 3.248 N/A PHE 222.A N ASN 220.A OD1 no hydrogen 2.852 N/A THR 223.A OG1 ASP 262.A OD1 no hydrogen 2.975 N/A THR 224.A OG1 THR 225.A O no hydrogen 3.125 N/A ASP 228.A N THR 225.A OG1 no hydrogen 2.980 N/A PHE 229.A N THR 225.A O no hydrogen 2.901 N/A ASN 230.A N LEU 226.A O no hydrogen 3.059 N/A ASN 230.A ND2 LEU 241.A O no hydrogen 2.749 N/A LEU 231.A N ASN 227.A O no hydrogen 3.120 N/A VAL 232.A N ASP 228.A O no hydrogen 3.195 N/A ALA 233.A N PHE 229.A O no hydrogen 2.753 N/A MET 234.A N ASN 230.A O no hydrogen 3.046 N/A LYS 235.A N VAL 232.A O no hydrogen 3.148 N/A TYR 236.A N ALA 233.A O no hydrogen 2.949 N/A ASN 237.A N MET 234.A O no hydrogen 2.926 N/A TYR 238.A N ALA 233.A O no hydrogen 2.971 N/A GLU 239.A N THR 198.A O no hydrogen 2.910 N/A LEU 241.A N ASN 230.A OD1 no hydrogen 2.634 N/A THR 242.A N HIS 245.A ND1 no hydrogen 3.121 N/A THR 242.A OG1 HIS 245.A ND1 no hydrogen 3.222 N/A GLN 243.A NE2 ASP 247.A OD1 no hydrogen 3.486 N/A HIS 245.A N THR 242.A OG1 no hydrogen 3.238 N/A VAL 246.A N THR 242.A O no hydrogen 2.928 N/A ASP 247.A N GLN 243.A O no hydrogen 2.881 N/A ILE 248.A N ASP 244.A O no hydrogen 2.818 N/A LEU 249.A N HIS 245.A O no hydrogen 3.233 N/A GLY 250.A N ASP 247.A O no hydrogen 3.098 N/A SER 253.A N LEU 249.A O no hydrogen 2.981 N/A SER 253.A OG ILE 258.A O no hydrogen 3.043 N/A ALA 254.A N GLY 250.A O no hydrogen 2.770 N/A GLN 255.A N PRO 251.A O no hydrogen 2.806 N/A THR 256.A N LEU 252.A O no hydrogen 3.052 N/A THR 256.A OG1 LEU 252.A O no hydrogen 2.970 N/A THR 256.A OG1 SER 253.A O no hydrogen 3.507 N/A GLY 257.A N SER 253.A O no hydrogen 2.543 N/A MET 263.A N ALA 259.A O no hydrogen 3.001 N/A CYS 264.A N VAL 260.A O no hydrogen 2.930 N/A CYS 264.A SG VAL 260.A O no hydrogen 3.373 N/A ALA 265.A N LEU 261.A O no hydrogen 3.406 N/A SER 266.A N ASP 262.A O no hydrogen 3.092 N/A SER 266.A OG ASP 262.A O no hydrogen 3.435 N/A LEU 267.A N MET 263.A O no hydrogen 2.991 N/A LYS 268.A N CYS 264.A O no hydrogen 2.874 N/A LYS 268.A NZ THR 224.A OG1 no hydrogen 2.691 N/A GLU 269.A N ALA 265.A O no hydrogen 3.121 N/A LEU 270.A N SER 266.A O no hydrogen 2.951 N/A LEU 271.A N LEU 267.A O no hydrogen 2.913 N/A GLN 272.A N LYS 268.A O no hydrogen 3.149 N/A GLN 272.A NE2 ASN 273.A OD1 no hydrogen 2.906 N/A ASN 273.A N GLU 269.A O no hydrogen 2.917 N/A GLY 274.A N LEU 270.A O no hydrogen 2.880 N/A ARG 278.A N MET 275.A O no hydrogen 3.020 N/A ILE 280.A N SER 283.A O no hydrogen 2.886 N/A SER 283.A N ILE 280.A O no hydrogen 2.773 N/A SER 283.A OG LEU 285.A O no hydrogen 2.901 N/A LEU 285.A N SER 283.A OG no hydrogen 3.104 N/A THR 291.A N ASP 294.A OD2 no hydrogen 3.306 N/A ASP 294.A N THR 291.A OG1 no hydrogen 2.991 N/A VAL 295.A N THR 291.A O no hydrogen 3.090 N/A VAL 296.A N PRO 292.A O no hydrogen 3.404 N/A ARG 297.A N PHE 293.A O no hydrogen 3.294 N/A GLN 298.A N ASP 294.A O no hydrogen 3.223 N/A GLN 298.A NE2 ARG 3.A O no hydrogen 3.418 N/A CYS 299.A N VAL 296.A O no hydrogen 3.361 N/A CYS 299.A SG ASN 213.A OD1 no hydrogen 3.526 N/A