Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3iu8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NE ASP 125.A OD1 no hydrogen 3.266 N/A ARG 3.A NE ASP 125.A OD2 no hydrogen 3.382 N/A ARG 3.A NH2 VAL 120.A O no hydrogen 2.586 N/A ARG 3.A NH2 ASP 125.A OD2 no hydrogen 2.705 N/A LEU 6.A N GLU 109.A OE2 no hydrogen 2.783 N/A GLY 9.A N ASP 117.A OD2 no hydrogen 2.798 N/A VAL 10.A N SER 118.A OG no hydrogen 2.954 N/A SER 12.A OG ASP 74.A OD1 no hydrogen 2.628 N/A SER 12.A OG ASP 74.A OD2 no hydrogen 3.531 N/A ARG 15.A NH1 ASP 74.A OD1 no hydrogen 2.887 N/A ARG 15.A NH1 ASP 77.A OD2 no hydrogen 2.718 N/A ARG 15.A NH2 ASP 74.A OD1 no hydrogen 3.278 N/A ARG 15.A NH2 ASP 74.A OD2 no hydrogen 2.786 N/A ILE 21.A N PRO 18.A O no hydrogen 3.112 N/A ARG 23.A NH1 VAL 17.A O no hydrogen 3.537 N/A ARG 23.A NH1 PRO 18.A O no hydrogen 2.833 N/A ARG 23.A NH1 ILE 21.A O no hydrogen 2.747 N/A ARG 23.A NH2 VAL 17.A O no hydrogen 2.820 N/A TYR 26.A OH SER 92.A O no hydrogen 2.670 N/A VAL 27.A N PRO 24.A O no hydrogen 3.301 N/A LYS 29.A N TYR 26.A O no hydrogen 3.046 N/A GLN 33.A N GLU 25.A OE1 no hydrogen 2.727 N/A GLY 35.A N GLU 37.A OE1 no hydrogen 2.854 N/A SER 36.A N GLU 37.A OE2 no hydrogen 3.237 N/A SER 36.A OG GLU 37.A OE2 no hydrogen 3.564 N/A GLU 37.A N ASN 212.A O no hydrogen 3.277 N/A GLN 41.A N GLY 231.A O no hydrogen 2.820 N/A GLN 41.A NE2 TRP 39.A O no hydrogen 3.467 N/A GLN 41.A NE2 THR 233.A OG1 no hydrogen 3.206 N/A VAL 45.A N THR 42.A OG1 no hydrogen 3.220 N/A ILE 46.A N THR 42.A O no hydrogen 2.908 N/A GLU 47.A N PRO 43.A O no hydrogen 2.983 N/A LYS 48.A N GLU 44.A O no hydrogen 3.238 N/A LYS 48.A NZ GLY 136.A O no hydrogen 2.932 N/A MET 49.A N VAL 45.A O no hydrogen 2.871 N/A ARG 50.A N ILE 46.A O no hydrogen 2.977 N/A ARG 50.A NE GLU 279.A OE1 no hydrogen 3.460 N/A ARG 50.A NE GLU 279.A OE2 no hydrogen 2.651 N/A ARG 50.A NH1 GLU 47.A OE1 no hydrogen 2.863 N/A ARG 50.A NH2 GLU 279.A OE1 no hydrogen 2.855 N/A ALA 52.A N LYS 48.A O no hydrogen 2.958 N/A GLY 53.A N MET 49.A O no hydrogen 2.801 N/A ARG 54.A N ARG 50.A O no hydrogen 3.031 N/A ILE 55.A N VAL 51.A O no hydrogen 3.060 N/A ALA 56.A N ALA 52.A O no hydrogen 2.942 N/A ALA 57.A N GLY 53.A O no hydrogen 2.877 N/A GLY 58.A N ARG 54.A O no hydrogen 3.018 N/A ALA 59.A N ILE 55.A O no hydrogen 2.940 N/A LEU 60.A N ALA 56.A O no hydrogen 2.959 N/A ALA 61.A N ALA 57.A O no hydrogen 2.955 N/A GLU 62.A N GLY 58.A O no hydrogen 2.974 N/A ALA 63.A N ALA 59.A O no hydrogen 2.978 N/A GLY 64.A N LEU 60.A O no hydrogen 2.730 N/A LYS 65.A N ALA 61.A O no hydrogen 2.838 N/A ALA 66.A N ALA 63.A O no hydrogen 2.967 N/A VAL 67.A N GLY 64.A O no hydrogen 2.977 N/A GLY 70.A N ILE 121.A O no hydrogen 2.849 N/A VAL 71.A N ALA 68.A O no hydrogen 3.178 N/A THR 72.A N GLU 75.A OE1 no hydrogen 2.839 N/A THR 73.A N THR 119.A O no hydrogen 3.016 N/A THR 73.A OG1 ASP 117.A O no hydrogen 3.282 N/A ASP 74.A N ASP 117.A O no hydrogen 2.922 N/A GLU 75.A N THR 72.A OG1 no hydrogen 3.020 N/A LEU 76.A N THR 72.A O no hydrogen 3.307 N/A ASP 77.A N THR 73.A O no hydrogen 2.988 N/A ARG 78.A N ASP 74.A O no hydrogen 2.874 N/A ILE 79.A N GLU 75.A O no hydrogen 3.254 N/A ALA 80.A N LEU 76.A O no hydrogen 2.989 N/A HIS 81.A N ASP 77.A O no hydrogen 2.776 N/A HIS 81.A ND1 SER 102.A OG no hydrogen 2.823 N/A HIS 81.A NE2 PRO 16.A O no hydrogen 2.783 N/A GLU 82.A N ARG 78.A O no hydrogen 2.998 N/A TYR 83.A N ILE 79.A O no hydrogen 2.993 N/A LEU 84.A N ALA 80.A O no hydrogen 2.990 N/A VAL 85.A N HIS 81.A O no hydrogen 2.953 N/A ASP 86.A N GLU 82.A O no hydrogen 2.892 N/A ASN 87.A N TYR 83.A O no hydrogen 3.165 N/A ASN 87.A ND2 TYR 83.A O no hydrogen 2.973 N/A GLY 88.A N VAL 85.A O no hydrogen 2.905 N/A ALA 89.A N LEU 84.A O no hydrogen 2.915 N/A TYR 90.A N TYR 134.A O no hydrogen 2.884 N/A TYR 90.A OH LEU 94.A O no hydrogen 2.740 N/A SER 92.A N THR 132.A O no hydrogen 2.986 N/A SER 92.A OG HIS 139.A ND1 no hydrogen 2.805 N/A THR 93.A OG1 LYS 101.A O no hydrogen 2.867 N/A LEU 94.A N PRO 91.A O no hydrogen 2.849 N/A GLY 95.A N PHE 99.A O no hydrogen 2.799 N/A TYR 96.A N THR 93.A O no hydrogen 2.993 N/A TYR 96.A OH GLU 34.A OE2 no hydrogen 2.554 N/A LYS 97.A NZ TYR 96.A OH no hydrogen 3.454 N/A GLY 98.A N GLY 95.A O no hydrogen 3.496 N/A PHE 99.A N TYR 96.A O no hydrogen 2.922 N/A LYS 101.A NZ SER 12.A O no hydrogen 2.966 N/A LYS 101.A NZ SER 12.A OG no hydrogen 2.972 N/A SER 102.A N ASP 77.A OD1 no hydrogen 2.796 N/A SER 102.A OG HIS 81.A ND1 no hydrogen 2.823 N/A CYS 103.A SG ASP 77.A OD1 no hydrogen 3.616 N/A CYS 104.A N ASP 130.A O no hydrogen 2.999 N/A THR 105.A N GLY 114.A O no hydrogen 2.896 N/A SER 106.A N ASN 128.A O no hydrogen 2.849 N/A ASN 108.A N ILE 126.A O no hydrogen 3.001 N/A ASN 108.A ND2 ASP 125.A OD1 no hydrogen 2.976 N/A GLU 109.A N GLU 109.A OE1 no hydrogen 2.786 N/A VAL 110.A N LEU 107.A O no hydrogen 2.888 N/A ILE 111.A N VAL 256.A O no hydrogen 2.699 N/A GLY 114.A N SER 106.A OG no hydrogen 3.209 N/A ASP 117.A N THR 73.A OG1 no hydrogen 3.023 N/A SER 118.A N VAL 10.A O no hydrogen 2.994 N/A THR 119.A N ASP 117.A OD1 no hydrogen 2.934 N/A THR 119.A OG1 ASP 117.A OD1 no hydrogen 2.683 N/A THR 119.A OG1 ASP 117.A OD2 no hydrogen 3.484 N/A ILE 121.A N VAL 71.A O no hydrogen 2.838 N/A THR 122.A N ASP 125.A OD2 no hydrogen 2.708 N/A GLY 124.A N ALA 148.A O no hydrogen 2.814 N/A ASP 125.A N THR 122.A O no hydrogen 2.994 N/A ILE 126.A N ASN 108.A OD1 no hydrogen 3.034 N/A VAL 127.A N PHE 146.A O no hydrogen 2.854 N/A ASN 128.A N SER 106.A O no hydrogen 2.941 N/A ASN 128.A ND2 ASN 143.A OD1 no hydrogen 2.997 N/A ASN 128.A ND2 THR 145.A OG1 no hydrogen 3.155 N/A ASN 128.A ND2 GLN 266.A O no hydrogen 2.863 N/A ILE 129.A N ALA 144.A O no hydrogen 3.000 N/A ASP 130.A N CYS 104.A O no hydrogen 2.842 N/A VAL 131.A N THR 142.A O no hydrogen 2.882 N/A ALA 133.A N GLY 140.A O no hydrogen 2.869 N/A TYR 134.A N TYR 90.A O no hydrogen 2.709 N/A ILE 135.A N VAL 138.A O no hydrogen 3.001 N/A VAL 138.A N ILE 135.A O no hydrogen 3.346 N/A HIS 139.A N GLY 207.A O no hydrogen 3.041 N/A HIS 139.A ND1 SER 92.A OG no hydrogen 2.805 N/A GLY 140.A N ALA 133.A O no hydrogen 2.910 N/A ASP 141.A N THR 270.A OG1 no hydrogen 3.027 N/A THR 142.A N VAL 131.A O no hydrogen 3.006 N/A THR 142.A OG1 GLU 268.A O no hydrogen 2.863 N/A ASN 143.A N GLU 268.A O no hydrogen 3.064 N/A ASN 143.A ND2 ASP 130.A OD2 no hydrogen 2.789 N/A ALA 144.A N ILE 129.A O no hydrogen 3.208 N/A THR 145.A OG1 GLN 266.A O no hydrogen 2.594 N/A PHE 146.A N VAL 127.A O no hydrogen 2.750 N/A ALA 148.A N ASP 125.A O no hydrogen 2.857 N/A ARG 156.A N ALA 152.A O no hydrogen 2.888 N/A LEU 157.A N ASP 153.A O no hydrogen 2.916 N/A LEU 158.A N GLU 154.A O no hydrogen 3.023 N/A VAL 159.A N HIS 155.A O no hydrogen 3.074 N/A ASP 160.A N ARG 156.A O no hydrogen 2.975 N/A ARG 161.A N LEU 157.A O no hydrogen 2.883 N/A ARG 161.A NH1 TYR 195.A OH no hydrogen 2.964 N/A THR 162.A N LEU 158.A O no hydrogen 2.844 N/A THR 162.A OG1 LEU 158.A O no hydrogen 2.732 N/A ARG 163.A N VAL 159.A O no hydrogen 2.957 N/A ARG 163.A NH1 ASP 160.A OD1 no hydrogen 2.845 N/A GLU 164.A N ASP 160.A O no hydrogen 2.931 N/A ALA 165.A N ARG 161.A O no hydrogen 2.814 N/A THR 166.A N THR 162.A O no hydrogen 2.973 N/A THR 166.A OG1 THR 162.A O no hydrogen 2.875 N/A MET 167.A N ARG 163.A O no hydrogen 2.916 N/A ARG 168.A N GLU 164.A O no hydrogen 2.784 N/A ARG 168.A NE GLU 164.A OE2 no hydrogen 2.943 N/A ALA 169.A N ALA 165.A O no hydrogen 3.007 N/A ILE 170.A N THR 166.A O no hydrogen 2.973 N/A ASN 171.A N MET 167.A O no hydrogen 2.941 N/A THR 172.A N ALA 169.A O no hydrogen 3.009 N/A THR 172.A OG1 ALA 169.A O no hydrogen 2.757 N/A VAL 173.A N ILE 170.A O no hydrogen 2.973 N/A GLY 176.A N MET 228.A O no hydrogen 2.818 N/A ARG 177.A N LYS 174.A O no hydrogen 3.264 N/A ARG 177.A NH1 THR 172.A O no hydrogen 2.987 N/A LEU 179.A N THR 226.A O no hydrogen 2.785 N/A VAL 181.A N ALA 178.A O no hydrogen 3.050 N/A ILE 182.A N LEU 179.A O no hydrogen 3.185 N/A ARG 184.A N SER 180.A O no hydrogen 3.138 N/A VAL 185.A N VAL 181.A O no hydrogen 2.804 N/A ILE 186.A N ILE 182.A O no hydrogen 2.951 N/A GLU 187.A N GLY 183.A O no hydrogen 2.887 N/A SER 188.A N ARG 184.A O no hydrogen 2.995 N/A TYR 189.A N VAL 185.A O no hydrogen 3.151 N/A ALA 190.A N ILE 186.A O no hydrogen 2.894 N/A ASN 191.A N GLU 187.A O no hydrogen 2.889 N/A ARG 192.A N TYR 189.A O no hydrogen 3.083 N/A PHE 193.A N ALA 190.A O no hydrogen 3.025 N/A GLY 194.A N ASN 191.A O no hydrogen 3.158 N/A TYR 195.A N ALA 190.A O no hydrogen 3.108 N/A ASN 196.A N ASN 241.A O no hydrogen 2.995 N/A ASN 196.A ND2 GLY 243.A O no hydrogen 2.741 N/A VAL 198.A N MET 239.A O no hydrogen 2.986 N/A THR 202.A OG1 GLY 203.A O no hydrogen 2.981 N/A GLY 203.A N VAL 216.A O no hydrogen 2.889 N/A HIS 204.A N THR 235.A OG1 no hydrogen 2.949 N/A HIS 204.A ND1 PHE 210.A O no hydrogen 2.885 N/A GLY 205.A N LEU 214.A O no hydrogen 2.908 N/A ILE 206.A N THR 233.A O no hydrogen 3.152 N/A GLY 207.A N THR 209.A O no hydrogen 2.869 N/A THR 209.A OG1 GLU 37.A OE1 no hydrogen 2.730 N/A HIS 211.A N GLU 34.A OE1 no hydrogen 3.099 N/A HIS 211.A ND1 GLU 34.A OE1 no hydrogen 3.319 N/A ASN 212.A N GLY 205.A O no hydrogen 3.025 N/A LEU 214.A N ASN 212.A OD1 no hydrogen 2.980 N/A VAL 216.A N GLY 203.A O no hydrogen 2.942 N/A ASP 220.A N GLU 187.A OE1 no hydrogen 2.896 N/A ALA 223.A N GLN 221.A OE1 no hydrogen 2.871 N/A VAL 224.A N GLN 221.A O no hydrogen 3.324 N/A GLU 225.A N GLU 225.A OE1 no hydrogen 2.655 N/A MET 228.A N ARG 177.A O no hydrogen 2.879 N/A GLY 231.A N VAL 273.A O no hydrogen 2.774 N/A MET 232.A N GLN 229.A O no hydrogen 3.015 N/A THR 233.A OG1 ILE 206.A O no hydrogen 2.611 N/A PHE 234.A N LEU 271.A O no hydrogen 3.091 N/A THR 235.A N HIS 204.A O no hydrogen 2.879 N/A THR 235.A OG1 HIS 204.A O no hydrogen 3.483 N/A THR 235.A OG1 GLU 237.A OE2 no hydrogen 2.791 N/A ILE 236.A N HIS 269.A O no hydrogen 3.144 N/A GLU 237.A N HIS 218.A NE2 no hydrogen 2.903 N/A ILE 240.A N ALA 265.A O no hydrogen 2.919 N/A ASN 241.A N ASN 196.A O no hydrogen 2.797 N/A ASN 241.A ND2 ALA 244.A O no hydrogen 3.262 N/A LEU 242.A N TRP 263.A O no hydrogen 3.071 N/A ALA 244.A N ASP 260.A OD2 no hydrogen 3.056 N/A TYR 247.A OH ASP 200.A OD2 no hydrogen 2.774 N/A GLU 248.A N VAL 257.A O no hydrogen 2.851 N/A TRP 250.A N THR 255.A O no hydrogen 2.903 N/A GLY 253.A N TRP 250.A O no hydrogen 2.763 N/A TRP 254.A N ASP 252.A OD1 no hydrogen 2.831 N/A THR 255.A N ASP 252.A OD1 no hydrogen 2.918 N/A THR 255.A OG1 ASP 252.A OD1 no hydrogen 3.408 N/A THR 255.A OG1 ASP 252.A OD2 no hydrogen 2.804 N/A VAL 256.A N CYS 112.A O no hydrogen 3.162 N/A VAL 257.A N GLU 248.A O no hydrogen 2.774 N/A THR 258.A N GLU 109.A O no hydrogen 2.964 N/A THR 258.A OG1 LYS 262.A O no hydrogen 2.748 N/A LYS 259.A N ASP 246.A O no hydrogen 2.870 N/A ARG 261.A N THR 258.A O no hydrogen 3.376 N/A ARG 261.A NH1 GLU 248.A OE1 no hydrogen 3.331 N/A ARG 261.A NH2 GLU 248.A OE1 no hydrogen 3.049 N/A ARG 261.A NH2 THR 258.A O no hydrogen 2.943 N/A LYS 262.A N ASP 260.A OD1 no hydrogen 2.966 N/A THR 264.A N ASN 108.A O no hydrogen 3.035 N/A THR 264.A OG1 ILE 240.A O no hydrogen 3.284 N/A THR 264.A OG1 ASN 241.A OD1 no hydrogen 2.647 N/A ALA 265.A N ILE 240.A O no hydrogen 3.097 N/A GLN 266.A N THR 145.A OG1 no hydrogen 3.121 N/A GLN 266.A NE2 GLU 237.A O no hydrogen 2.908 N/A GLU 268.A N ASN 143.A O no hydrogen 2.992 N/A HIS 269.A N ILE 236.A O no hydrogen 3.150 N/A HIS 269.A ND1 THR 282.A OG1 no hydrogen 2.824 N/A THR 270.A N THR 282.A OG1 no hydrogen 3.006 N/A THR 270.A OG1 ASP 141.A O no hydrogen 2.760 N/A LEU 271.A N PHE 234.A O no hydrogen 2.825 N/A LEU 272.A N GLU 279.A O no hydrogen 2.857 N/A VAL 273.A N MET 232.A O no hydrogen 2.918 N/A THR 274.A N GLY 277.A O no hydrogen 2.945 N/A THR 276.A N THR 274.A OG1 no hydrogen 3.320 N/A GLY 277.A N THR 274.A OG1 no hydrogen 2.941 N/A GLU 279.A N LEU 272.A O no hydrogen 2.879 N/A LEU 281.A N THR 270.A O no hydrogen 2.836 N/A THR 282.A OG1 HIS 269.A ND1 no hydrogen 2.824 N/A