Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1d3q_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N GLY 142.A O no hydrogen 3.197 N/A ILE 1.A N ASN 143.A O no hydrogen 2.993 N/A ILE 1.A N ASP 197.A OD1 no hydrogen 2.483 N/A VAL 2.A N ASP 192.A O no hydrogen 2.780 N/A SER 5.A N VAL 155.A O no hydrogen 2.951 N/A ALA 7.A N LEU 153.A O no hydrogen 2.783 N/A MET 11.A N GLU 8.A O no hydrogen 3.008 N/A GLN 15.A N SER 12.A O no hydrogen 2.946 N/A GLN 15.A NE2 VAL 16.A O no hydrogen 3.128 N/A VAL 16.A N ALA 30.A O no hydrogen 3.084 N/A MET 17.A N ARG 62.A O no hydrogen 3.072 N/A LEU 18.A N CYS 28.A O no hydrogen 2.722 N/A PHE 19.A N LEU 60.A O no hydrogen 2.951 N/A ARG 20.A N GLU 25.A O no hydrogen 2.766 N/A ARG 20.A NE GLU 25.A OE1 no hydrogen 2.998 N/A ARG 20.A NH1 SER 22.A O no hydrogen 3.529 N/A ARG 20.A NH2 GLU 25.A OE1 no hydrogen 3.547 N/A LYS 21.A N ASP 58.A O no hydrogen 3.312 N/A LYS 21.A NZ ASN 57.A O no hydrogen 2.872 N/A GLU 25.A N ARG 20.A O no hydrogen 3.207 N/A LEU 27.A N LEU 18.A O no hydrogen 2.630 N/A CYS 28.A SG LEU 27.A O no hydrogen 3.179 N/A CYS 28.A SG SER 198.A O no hydrogen 3.456 N/A CYS 28.A SG SER 198.A OG no hydrogen 3.407 N/A GLY 29.A N SER 198.A O no hydrogen 2.884 N/A ALA 30.A N VAL 16.A O no hydrogen 3.355 N/A SER 31.A N LEU 39.A O no hydrogen 2.980 N/A SER 31.A OG GLN 214.A OE1 no hydrogen 2.620 N/A LEU 32.A N TRP 14.A O no hydrogen 2.883 N/A ILE 33.A N TRP 37.A O no hydrogen 3.092 N/A ARG 36.A N SER 34.A OG no hydrogen 2.936 N/A ARG 36.A NE LEU 105.A O no hydrogen 3.061 N/A VAL 38.A N MET 103.A O no hydrogen 2.855 N/A LEU 39.A N SER 31.A O no hydrogen 2.656 N/A THR 40.A N ALA 101.A O no hydrogen 2.956 N/A THR 40.A OG1 GLY 29.A O no hydrogen 2.974 N/A THR 40.A OG1 GLY 199.A O no hydrogen 3.517 N/A HIS 43.A N ASP 99.A OD1 no hydrogen 2.684 N/A HIS 43.A ND1 ASP 99.A OD2 no hydrogen 2.555 N/A HIS 43.A NE2 SER 198.A OG no hydrogen 3.175 N/A CYS 44.A N ALA 41.A O no hydrogen 3.285 N/A CYS 44.A SG HIS 43.A NE2 no hydrogen 4.033 N/A CYS 44.A SG SER 198.A O no hydrogen 3.894 N/A LEU 45.A N ALA 42.A O no hydrogen 2.740 N/A LEU 46.A N ALA 42.A O no hydrogen 2.963 N/A TYR 47.A N LYS 52.A O no hydrogen 2.836 N/A TRP 50.A N TYR 47.A O no hydrogen 2.904 N/A ASP 51.A N PRO 48.A O no hydrogen 2.790 N/A LYS 52.A N TYR 47.A O no hydrogen 3.268 N/A PHE 54.A N LEU 45.A O no hydrogen 2.996 N/A THR 55.A N ASP 58.A OD2 no hydrogen 3.311 N/A GLU 56.A N GLU 56.A OE1 no hydrogen 2.619 N/A ASP 58.A N THR 55.A O no hydrogen 2.695 N/A LEU 60.A N PHE 19.A O no hydrogen 2.833 N/A VAL 61.A N SER 79.A O no hydrogen 3.010 N/A ARG 62.A N MET 17.A O no hydrogen 3.128 N/A ARG 62.A NE GLU 76.A OE2 no hydrogen 2.696 N/A ARG 62.A NH2 GLU 76.A OE1 no hydrogen 3.067 N/A ARG 62.A NH2 GLU 76.A OE2 no hydrogen 3.219 N/A ILE 63.A N LYS 77.A O no hydrogen 2.862 N/A LYS 65.A NZ ARG 70.A O no hydrogen 2.559 N/A LYS 65.A NZ GLU 72.A OE2 no hydrogen 2.854 N/A LYS 65.A NZ GLU 76.A OE1 no hydrogen 2.680 N/A HIS 66.A N GLU 72.A OE2 no hydrogen 2.850 N/A SER 67.A N GLU 72.A OE1 no hydrogen 3.023 N/A SER 67.A N GLU 72.A OE2 no hydrogen 2.996 N/A ARG 68.A N SER 151.A O no hydrogen 2.981 N/A ARG 68.A NE PRO 150.A O no hydrogen 2.931 N/A ARG 70.A N SER 67.A OG no hydrogen 3.278 N/A ARG 70.A NE TYR 71.A O no hydrogen 2.182 N/A GLU 72.A N GLU 76.A OE1 no hydrogen 2.791 N/A ARG 73.A N TYR 71.A O no hydrogen 2.903 N/A ILE 75.A N GLU 72.A O no hydrogen 3.104 N/A GLU 76.A N GLU 72.A O no hydrogen 3.039 N/A LYS 77.A N ILE 63.A O no hydrogen 2.827 N/A SER 79.A N VAL 61.A O no hydrogen 2.653 N/A GLU 82.A N LYS 104.A O no hydrogen 2.728 N/A ILE 84.A N GLU 56.A OE2 no hydrogen 3.111 N/A TYR 85.A N LEU 102.A O no hydrogen 2.801 N/A HIS 87.A N ILE 100.A O no hydrogen 3.374 N/A ARG 89.A N HIS 87.A ND1 no hydrogen 2.868 N/A TYR 90.A N HIS 87.A O no hydrogen 3.085 N/A TYR 90.A OH LEU 46.A O no hydrogen 3.102 N/A ASN 91.A N ASP 97.A O no hydrogen 2.779 N/A ASN 91.A ND2 GLU 94.A OE1 no hydrogen 3.437 N/A GLU 94.A N ASN 91.A OD1 no hydrogen 3.014 N/A ASN 95.A ND2 ARG 173.A O no hydrogen 2.616 N/A ARG 98.A NE ARG 89.A O no hydrogen 3.187 N/A ALA 101.A N THR 40.A O no hydrogen 2.667 N/A LEU 102.A N TYR 85.A O no hydrogen 2.850 N/A MET 103.A N VAL 38.A O no hydrogen 2.923 N/A LYS 104.A N LYS 83.A O no hydrogen 3.053 N/A LYS 104.A NZ GLU 82.A OE2 no hydrogen 3.257 N/A LEU 105.A N ARG 36.A O no hydrogen 2.975 N/A LYS 106.A N MET 80.A O no hydrogen 2.939 N/A VAL 109.A N ASP 35.A O no hydrogen 3.099 N/A SER 112.A N ILE 115.A O no hydrogen 3.127 N/A TYR 114.A N SER 112.A OG no hydrogen 3.166 N/A HIS 116.A N PRO 13.A O no hydrogen 3.250 N/A VAL 118.A N LEU 32.A O no hydrogen 3.141 N/A CYS 119.A N TRP 212.A O no hydrogen 3.231 N/A THR 125.A N ASP 122.A OD1 no hydrogen 2.580 N/A THR 125.A OG1 ASP 122.A OD1 no hydrogen 2.965 N/A THR 125.A OG1 ASP 122.A OD2 no hydrogen 2.812 N/A ALA 126.A N ASP 122.A O no hydrogen 3.049 N/A ALA 127.A N ARG 123.A O no hydrogen 2.616 N/A SER 128.A N GLU 124.A O no hydrogen 2.678 N/A LEU 129.A N THR 125.A O no hydrogen 3.045 N/A LEU 130.A N ALA 126.A O no hydrogen 3.154 N/A GLN 131.A N LEU 129.A O no hydrogen 2.625 N/A GLY 133.A N ILE 160.A O no hydrogen 2.706 N/A TYR 134.A N GLN 131.A O no hydrogen 2.835 N/A LYS 135.A NZ TYR 183.A OH no hydrogen 3.540 N/A GLY 136.A N LEU 158.A O no hydrogen 2.522 N/A ARG 137.A N VAL 203.A O no hydrogen 3.005 N/A ARG 137.A NE ASN 157.A OD1 no hydrogen 3.162 N/A VAL 138.A N VAL 156.A O no hydrogen 2.806 N/A THR 139.A OG1 GLN 15.A OE1 no hydrogen 2.480 N/A GLY 140.A N GLN 154.A O no hydrogen 3.084 N/A TRP 141.A NE1 HIS 66.A O no hydrogen 3.153 N/A GLY 142.A N ASP 197.A OD2 no hydrogen 2.898 N/A ASN 143.A N GLU 195.A O no hydrogen 2.955 N/A LEU 144.A N GLY 148.A O no hydrogen 2.935 N/A GLN 149.A NE2 ASN 143.A OD1 no hydrogen 3.010 N/A LEU 153.A N HIS 66.A O no hydrogen 2.821 N/A GLN 154.A N GLY 140.A O no hydrogen 2.792 N/A GLN 154.A NE2 ASP 6.A OD1 no hydrogen 2.839 N/A GLN 154.A NE2 VAL 152.A O no hydrogen 2.774 N/A VAL 155.A N SER 5.A O no hydrogen 2.857 N/A VAL 156.A N VAL 138.A O no hydrogen 3.042 N/A LEU 158.A N GLY 136.A O no hydrogen 2.773 N/A ILE 160.A N TYR 134.A O no hydrogen 2.871 N/A VAL 161.A N CYS 180.A O no hydrogen 3.316 N/A GLU 162.A N GLU 162.A OE1 no hydrogen 2.464 N/A ARG 163.A NH1 THR 175.A O no hydrogen 3.065 N/A ARG 163.A NH1 MET 178.A O no hydrogen 3.343 N/A ARG 163.A NH2 MET 178.A O no hydrogen 2.650 N/A CYS 166.A N GLU 162.A O no hydrogen 3.207 N/A CYS 166.A SG VAL 161.A O no hydrogen 3.734 N/A CYS 166.A SG GLU 162.A O no hydrogen 3.621 N/A LYS 167.A N ARG 163.A O no hydrogen 3.163 N/A ASP 168.A N PRO 164.A O no hydrogen 3.089 N/A SER 169.A N CYS 166.A O no hydrogen 3.111 N/A SER 169.A OG CYS 166.A O no hydrogen 2.518 N/A THR 170.A N LYS 167.A O no hydrogen 3.464 N/A THR 170.A OG1 GLU 222.A OE2 no hydrogen 3.137 N/A ILE 172.A N THR 170.A OG1 no hydrogen 2.899 N/A ARG 173.A NE GLU 94.A OE2 no hydrogen 2.879 N/A ARG 173.A NH2 GLU 94.A OE1 no hydrogen 2.794 N/A ARG 173.A NH2 GLU 94.A OE2 no hydrogen 3.396 N/A THR 175.A OG1 ASP 97.A OD2 no hydrogen 2.622 N/A ASN 177.A N THR 175.A OG1 no hydrogen 3.060 N/A ASN 177.A ND2 ASP 97.A OD2 no hydrogen 3.017 N/A MET 178.A N THR 175.A O no hydrogen 3.229 N/A PHE 179.A N TYR 233.A O no hydrogen 3.113 N/A ALA 181.A N GLY 231.A O no hydrogen 2.892 N/A GLY 182.A N PRO 159.A O no hydrogen 2.972 N/A LYS 184.A N GLU 187.A OE1 no hydrogen 2.986 N/A LYS 184.A NZ GLU 162.A OE1 no hydrogen 2.800 N/A LYS 184.A NZ GLU 162.A OE2 no hydrogen 2.703 N/A GLU 187.A N LYS 184.A O no hydrogen 3.094 N/A ARG 190.A NE ASP 225.A OD2 no hydrogen 2.847 N/A ARG 190.A NH1 ASP 227.A OD1 no hydrogen 2.969 N/A ARG 190.A NH2 ASP 225.A O no hydrogen 2.978 N/A ARG 190.A NH2 ASP 225.A OD2 no hydrogen 3.359 N/A ARG 190.A NH2 ASP 227.A OD1 no hydrogen 3.022 N/A GLY 191.A N ASP 225.A OD1 no hydrogen 2.689 N/A ASP 192.A N VAL 2.A O no hydrogen 3.129 N/A ALA 193.A N ASP 192.A OD1 no hydrogen 2.604 N/A ASP 197.A N CYS 194.A O no hydrogen 2.807 N/A SER 198.A OG HIS 43.A NE2 no hydrogen 3.175 N/A GLY 199.A N VAL 218.A O no hydrogen 2.952 N/A GLY 200.A N ASP 197.A O no hydrogen 2.993 N/A PHE 202.A N GLY 216.A O no hydrogen 2.943 N/A VAL 203.A N ARG 137.A O no hydrogen 3.144 N/A MET 204.A N TYR 213.A O no hydrogen 2.893 N/A SER 206.A N ARG 211.A O no hydrogen 2.652 N/A PHE 208.A N SER 206.A OG no hydrogen 3.133 N/A ASN 210.A N SER 206.A O no hydrogen 2.894 N/A TYR 213.A N MET 204.A O no hydrogen 2.788 N/A TYR 213.A OH ASN 209.A OD1 no hydrogen 2.543 N/A GLN 214.A N CYS 119.A O no hydrogen 3.096 N/A GLN 214.A NE2 GLY 216.A O no hydrogen 2.934 N/A MET 215.A N PHE 202.A O no hydrogen 2.765 N/A GLY 216.A N PHE 202.A O no hydrogen 3.009 N/A ILE 217.A N THR 234.A O no hydrogen 3.302 N/A VAL 218.A N GLY 200.A O no hydrogen 2.835 N/A SER 219.A N PHE 232.A O no hydrogen 2.943 N/A SER 219.A OG ASP 99.A OD2 no hydrogen 2.562 N/A TRP 220.A N PHE 232.A O no hydrogen 3.238 N/A CYS 224.A N GLU 146.A OE1 no hydrogen 3.163 N/A CYS 224.A SG ALA 193.A O no hydrogen 3.812 N/A ASP 225.A N ASP 192.A OD2 no hydrogen 2.933 N/A ARG 226.A NE GLU 146.A OE1 no hydrogen 2.671 N/A ARG 226.A NE GLU 146.A OE2 no hydrogen 3.235 N/A ARG 226.A NH2 GLU 146.A OE2 no hydrogen 2.894 N/A LYS 229.A N ARG 226.A O no hydrogen 3.177 N/A LYS 229.A NZ SER 169.A O no hydrogen 3.041 N/A LYS 229.A NZ GLU 222.A OE1 no hydrogen 3.173 N/A GLY 231.A N ALA 181.A O no hydrogen 3.215 N/A PHE 232.A N TRP 220.A O no hydrogen 2.769 N/A TYR 233.A N PHE 179.A O no hydrogen 2.707 N/A THR 234.A N ILE 217.A O no hydrogen 2.869 N/A THR 234.A OG1 ASP 99.A O no hydrogen 2.773 N/A HIS 235.A N ASN 177.A O no hydrogen 2.779 N/A VAL 236.A N MET 215.A O no hydrogen 3.336 N/A ARG 238.A N HIS 235.A ND1 no hydrogen 3.402 N/A ARG 238.A NH2 ASP 176.A OD2 no hydrogen 3.445 N/A LEU 239.A N VAL 236.A O no hydrogen 3.038 N/A LYS 240.A N PHE 237.A O no hydrogen 2.997 N/A LYS 240.A NZ PRO 121.A O no hydrogen 2.424 N/A TRP 242.A N LEU 239.A O no hydrogen 3.170 N/A ILE 243.A N LEU 239.A O no hydrogen 3.339 N/A GLN 244.A N LYS 240.A O no hydrogen 2.861 N/A LYS 245.A N LYS 241.A O no hydrogen 2.902 N/A VAL 246.A N TRP 242.A O no hydrogen 3.039 N/A ILE 247.A N ILE 243.A O no hydrogen 2.982 N/A ASP 248.A N GLN 244.A O no hydrogen 2.709 N/A GLN 249.A N LYS 245.A O no hydrogen 2.804 N/A PHE 250.A N VAL 246.A O no hydrogen 2.949 N/A