Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4f1r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N TYR 253.A O no hydrogen 3.233 N/A MET 1.A N TRP 255.A O no hydrogen 3.167 N/A ARG 2.A N ASP 29.A OD2 no hydrogen 2.776 N/A ILE 3.A N VAL 251.A O no hydrogen 2.880 N/A ILE 4.A N VAL 30.A O no hydrogen 3.116 N/A SER 5.A N LEU 249.A O no hydrogen 2.884 N/A VAL 6.A N CYS 32.A O no hydrogen 2.773 N/A ASN 7.A ND2 SER 148.A OG no hydrogen 2.782 N/A VAL 8.A N GLN 34.A O no hydrogen 2.979 N/A ASN 9.A N ASN 7.A OD1 no hydrogen 3.151 N/A ASN 9.A ND2 ASP 35.A OD2 no hydrogen 3.223 N/A GLY 10.A N ASP 35.A O no hydrogen 2.742 N/A ILE 11.A N THR 36.A O no hydrogen 2.837 N/A GLN 12.A NE2 GLU 16.A OE2 no hydrogen 2.846 N/A ALA 14.A N GLY 10.A O no hydrogen 3.024 N/A ALA 15.A N ILE 11.A O no hydrogen 2.901 N/A GLU 16.A N GLN 12.A O no hydrogen 2.928 N/A ARG 17.A N ALA 14.A O no hydrogen 3.012 N/A ARG 17.A NH2 ARG 242.A O no hydrogen 3.416 N/A GLY 18.A N ALA 15.A O no hydrogen 2.920 N/A LEU 19.A N ALA 14.A O no hydrogen 2.999 N/A TRP 22.A N GLY 18.A O no hydrogen 3.200 N/A LEU 23.A N LEU 19.A O no hydrogen 2.887 N/A GLN 24.A N LEU 20.A O no hydrogen 2.931 N/A GLN 24.A NE2 GLN 24.A O no hydrogen 3.552 N/A GLN 24.A NE2 ASP 51.A O no hydrogen 3.019 N/A ALA 25.A N TRP 22.A O no hydrogen 3.192 N/A GLN 26.A N LEU 23.A O no hydrogen 3.167 N/A GLN 26.A NE2 TRP 22.A O no hydrogen 2.887 N/A ASN 27.A ND2 ASN 27.A O no hydrogen 2.530 N/A ASP 29.A N ARG 2.A O no hydrogen 2.729 N/A VAL 30.A N ARG 2.A O no hydrogen 3.269 N/A ILE 31.A N TYR 71.A O no hydrogen 2.898 N/A CYS 32.A N ILE 4.A O no hydrogen 2.753 N/A CYS 32.A SG ALA 105.A O no hydrogen 3.894 N/A LEU 33.A N ALA 69.A O no hydrogen 2.871 N/A GLN 34.A N VAL 6.A O no hydrogen 3.134 N/A GLN 34.A NE2 SER 5.A OG no hydrogen 3.231 N/A GLN 34.A NE2 THR 106.A OG1 no hydrogen 2.944 N/A THR 36.A N GLY 67.A O no hydrogen 2.981 N/A ARG 37.A N GLY 66.A O no hydrogen 2.885 N/A ALA 38.A N THR 36.A OG1 no hydrogen 3.329 N/A SER 39.A N ASP 42.A OD2 no hydrogen 3.094 N/A ALA 40.A N ASP 59.A OD2 no hydrogen 3.161 N/A ASP 42.A N SER 39.A OG no hydrogen 2.955 N/A LEU 43.A N SER 39.A O no hydrogen 3.044 N/A ASP 44.A N PHE 41.A O no hydrogen 3.265 N/A ASP 45.A N ASP 42.A O no hydrogen 3.301 N/A SER 47.A N ASP 45.A OD1 no hydrogen 3.485 N/A GLN 49.A N PRO 46.A O no hydrogen 3.341 N/A ASP 51.A N GLN 24.A OE1 no hydrogen 3.045 N/A TYR 53.A N LEU 50.A O no hydrogen 3.086 N/A TYR 53.A OH ALA 28.A O no hydrogen 2.520 N/A PHE 54.A N SER 72.A O no hydrogen 2.872 N/A TYR 56.A N LEU 70.A O no hydrogen 2.885 N/A CYS 58.A N VAL 68.A O no hydrogen 2.986 N/A GLU 61.A N ARG 90.A O no hydrogen 3.240 N/A GLU 64.A N GLU 64.A OE1 no hydrogen 2.608 N/A GLN 65.A N LEU 62.A O no hydrogen 2.838 N/A GLY 66.A N PRO 63.A O no hydrogen 3.345 N/A GLY 67.A N TYR 91.A O no hydrogen 3.144 N/A VAL 68.A N CYS 58.A O no hydrogen 3.135 N/A ALA 69.A N LEU 33.A O no hydrogen 2.954 N/A LEU 70.A N TYR 56.A O no hydrogen 2.852 N/A TYR 71.A N ILE 31.A O no hydrogen 2.885 N/A TYR 71.A OH PHE 48.A O no hydrogen 2.545 N/A SER 72.A N PHE 54.A O no hydrogen 2.889 N/A SER 72.A OG LEU 74.A O no hydrogen 2.572 N/A ARG 73.A N ASP 29.A O no hydrogen 3.102 N/A LYS 77.A N ASP 98.A O no hydrogen 3.003 N/A ILE 80.A N GLN 96.A O no hydrogen 2.880 N/A GLY 82.A N TYR 94.A O no hydrogen 3.029 N/A LEU 83.A N ASP 89.A OD1 no hydrogen 2.875 N/A GLY 84.A N ASP 89.A OD1 no hydrogen 3.179 N/A ALA 88.A N PHE 85.A O no hydrogen 3.107 N/A ASP 89.A N PHE 85.A O no hydrogen 2.935 N/A ARG 90.A N GLU 86.A O no hydrogen 2.940 N/A TYR 91.A N ALA 88.A O no hydrogen 3.187 N/A ARG 93.A N ALA 88.A O no hydrogen 3.207 N/A ARG 93.A NE THR 87.A O no hydrogen 2.873 N/A ARG 93.A NH2 THR 87.A O no hydrogen 3.430 N/A ARG 93.A NH2 GLN 121.A OE1 no hydrogen 2.432 N/A TYR 94.A OH GLN 96.A OE1 no hydrogen 2.813 N/A LEU 95.A N THR 106.A O no hydrogen 3.002 N/A GLN 96.A N ILE 80.A O no hydrogen 2.826 N/A GLN 96.A NE2 ASP 98.A OD1 no hydrogen 2.946 N/A ALA 97.A N ILE 104.A O no hydrogen 2.882 N/A ASP 98.A N ALA 78.A O no hydrogen 2.891 N/A PHE 99.A N VAL 102.A O no hydrogen 2.879 N/A ASP 100.A N SER 258.A O no hydrogen 2.850 N/A SER 103.A N GLU 142.A O no hydrogen 2.878 N/A SER 103.A OG ASP 98.A OD1 no hydrogen 3.241 N/A ILE 104.A N ALA 97.A O no hydrogen 2.869 N/A ALA 105.A N ILE 144.A O no hydrogen 2.837 N/A THR 106.A N LEU 95.A O no hydrogen 2.781 N/A THR 106.A OG1 LEU 33.A O no hydrogen 2.985 N/A LEU 107.A N CYS 146.A O no hydrogen 2.943 N/A LEU 108.A N ARG 93.A O no hydrogen 2.891 N/A LEU 109.A N SER 148.A O no hydrogen 3.018 N/A GLN 113.A N SER 111.A OG no hydrogen 3.234 N/A SER 114.A N SER 118.A OG no hydrogen 3.297 N/A SER 118.A OG GLY 115.A O no hydrogen 2.551 N/A LEU 119.A N GLY 115.A O no hydrogen 3.316 N/A ASN 120.A N ASP 116.A O no hydrogen 2.901 N/A GLN 121.A N GLU 117.A O no hydrogen 2.921 N/A LYS 122.A N SER 118.A O no hydrogen 2.913 N/A LYS 122.A NZ SER 111.A O no hydrogen 2.966 N/A LYS 122.A NZ TYR 150.A O no hydrogen 2.727 N/A LYS 122.A NZ GLU 174.A OE2 no hydrogen 2.671 N/A PHE 123.A N LEU 119.A O no hydrogen 2.907 N/A LYS 124.A N ASN 120.A O no hydrogen 2.928 N/A LYS 124.A NZ ASP 128.A OD1 no hydrogen 3.132 N/A LYS 124.A NZ ASP 128.A OD2 no hydrogen 3.181 N/A PHE 125.A N GLN 121.A O no hydrogen 2.931 N/A MET 126.A N LYS 122.A O no hydrogen 2.941 N/A ASP 127.A N PHE 123.A O no hydrogen 2.926 N/A ASP 128.A N LYS 124.A O no hydrogen 2.942 N/A PHE 129.A N PHE 125.A O no hydrogen 2.884 N/A THR 130.A N MET 126.A O no hydrogen 2.908 N/A THR 130.A OG1 MET 126.A O no hydrogen 2.946 N/A HIS 131.A N ASP 127.A O no hydrogen 2.951 N/A TYR 132.A N ASP 128.A O no hydrogen 2.945 N/A TYR 132.A OH TYR 145.A OH no hydrogen 2.793 N/A LEU 133.A N PHE 129.A O no hydrogen 2.885 N/A SER 134.A N THR 130.A O no hydrogen 2.890 N/A LYS 135.A N HIS 131.A O no hydrogen 2.942 N/A GLN 136.A N TYR 132.A O no hydrogen 2.935 N/A GLN 136.A N LEU 133.A O no hydrogen 3.135 N/A ARG 137.A NE.B SER 134.A O no hydrogen 2.852 N/A LYS 139.A N GLN 136.A O no hydrogen 3.180 N/A ARG 141.A NH1 PHE 99.A O no hydrogen 2.649 N/A ARG 141.A NH1 SER 103.A OG no hydrogen 3.016 N/A ARG 141.A NH2 PHE 99.A O no hydrogen 3.208 N/A GLU 142.A N LYS 101.A O no hydrogen 2.800 N/A TYR 143.A N THR 225.A OG1 no hydrogen 2.951 N/A ILE 144.A N SER 103.A O no hydrogen 2.901 N/A TYR 145.A N VAL 223.A O no hydrogen 2.844 N/A TYR 145.A OH TYR 132.A OH no hydrogen 2.793 N/A CYS 146.A N ALA 105.A O no hydrogen 2.845 N/A GLY 147.A N TYR 221.A O no hydrogen 2.893 N/A SER 148.A N LEU 107.A O no hydrogen 2.891 N/A SER 148.A OG ASP 220.A OD1 no hydrogen 2.887 N/A LEU 149.A N PHE 219.A O no hydrogen 2.953 N/A TYR 150.A OH HIS 246.A NE2 no hydrogen 2.944 N/A ALA 152.A N GLY 169.A O no hydrogen 2.648 N/A HIS 153.A NE2 ASP 179.A OD1 no hydrogen 2.909 N/A GLN 154.A N ASP 157.A OD2 no hydrogen 2.648 N/A ASP 157.A N GLN 154.A O no hydrogen 2.685 N/A VAL 158.A N LYS 155.A O no hydrogen 3.260 N/A LYS 159.A N GLY 216.A O no hydrogen 3.029 N/A LYS 159.A NZ ASP 199.A OD1 no hydrogen 2.796 N/A ASN 160.A ND2 GLU 163.A OE2 no hydrogen 2.934 N/A CYS 164.A N TRP 161.A O no hydrogen 3.000 N/A CYS 164.A SG LYS 159.A O no hydrogen 3.901 N/A CYS 164.A SG ASN 160.A O no hydrogen 3.223 N/A MET 167.A N CYS 164.A O no hydrogen 3.285 N/A GLY 169.A N GLU 174.A OE1 no hydrogen 2.757 N/A PHE 170.A N MET 167.A O no hydrogen 3.239 N/A LEU 171.A N GLU 174.A OE1 no hydrogen 3.013 N/A ARG 175.A N LEU 171.A O no hydrogen 2.899 N/A ARG 175.A NH1 PHE 170.A O no hydrogen 2.978 N/A ALA 176.A N ALA 172.A O no hydrogen 2.894 N/A TRP 177.A N PRO 173.A O no hydrogen 2.900 N/A LEU 178.A N GLU 174.A O no hydrogen 2.985 N/A ASP 179.A N ARG 175.A O no hydrogen 2.863 N/A GLU 180.A N ALA 176.A O no hydrogen 2.926 N/A VAL 181.A N TRP 177.A O no hydrogen 2.953 N/A PHE 182.A N LEU 178.A O no hydrogen 2.896 N/A ASN 184.A ND2 GLU 180.A OE2 no hydrogen 2.978 N/A LEU 185.A N GLU 180.A O no hydrogen 3.069 N/A GLY 186.A N GLY 183.A O no hydrogen 3.159 N/A TYR 187.A N VAL 181.A O no hydrogen 3.244 N/A TYR 187.A OH LEU 133.A O no hydrogen 3.358 N/A ALA 188.A N LEU 224.A O no hydrogen 2.750 N/A ALA 190.A N GLN 222.A O no hydrogen 2.974 N/A ARG 192.A NH1 SER 195.A O no hydrogen 3.253 N/A ARG 192.A NH1 GLU 197.A O no hydrogen 2.806 N/A ARG 192.A NH2 ASP 157.A OD1 no hydrogen 2.929 N/A GLU 193.A N ASP 189.A O no hydrogen 3.172 N/A GLU 193.A N ALA 190.A O no hydrogen 3.041 N/A VAL 194.A N LEU 191.A O no hydrogen 3.125 N/A SER 195.A N LEU 191.A O no hydrogen 2.828 N/A SER 195.A OG GLN 200.A OE1 no hydrogen 2.745 N/A GLU 197.A N SER 195.A OG no hydrogen 3.304 N/A SER 202.A N TRP 217.A O no hydrogen 2.871 N/A SER 202.A OG ASP 220.A OD2 no hydrogen 2.695 N/A TRP 203.A N TRP 217.A O no hydrogen 2.767 N/A TRP 204.A N GLN 245.A O no hydrogen 3.144 N/A TRP 204.A NE1 ASN 214.A OD1 no hydrogen 2.734 N/A ASP 206.A N ASP 206.A OD2 no hydrogen 2.474 N/A SER 207.A N PRO 205.A O no hydrogen 2.605 N/A GLN 209.A N SER 207.A OG no hydrogen 3.069 N/A LEU 213.A N GLN 209.A O no hydrogen 2.890 N/A LEU 215.A N ALA 210.A O no hydrogen 3.067 N/A GLY 216.A N ASN 214.A O no hydrogen 2.763 N/A TRP 217.A N TRP 203.A O no hydrogen 2.841 N/A ARG 218.A N ASP 157.A O no hydrogen 2.772 N/A ARG 218.A NH1 ASP 157.A OD1 no hydrogen 2.931 N/A ARG 218.A NH1 ASP 189.A OD2 no hydrogen 3.190 N/A ARG 218.A NH2 ASP 189.A OD1 no hydrogen 2.443 N/A ARG 218.A NH2 ASP 189.A OD2 no hydrogen 2.763 N/A PHE 219.A N SER 202.A OG no hydrogen 2.812 N/A ASP 220.A N SER 202.A OG no hydrogen 3.044 N/A TYR 221.A N GLY 147.A O no hydrogen 2.868 N/A TYR 221.A OH VAL 151.A O no hydrogen 2.759 N/A TYR 221.A OH ARG 218.A O no hydrogen 3.332 N/A GLN 222.A NE2 ILE 3.A O no hydrogen 3.014 N/A VAL 223.A N TYR 145.A O no hydrogen 2.879 N/A LEU 224.A N ALA 188.A O no hydrogen 2.852 N/A THR 225.A N TYR 143.A O no hydrogen 3.149 N/A THR 225.A OG1 GLU 142.A OE1 no hydrogen 2.455 N/A THR 225.A OG1 TYR 143.A O no hydrogen 3.391 N/A LEU 228.A N THR 225.A O no hydrogen 3.078 N/A ARG 229.A N PRO 226.A O no hydrogen 2.961 N/A PHE 231.A N LEU 228.A O no hydrogen 2.912 N/A ARG 233.A N ASP 252.A O no hydrogen 2.810 N/A ASN 234.A N ASP 252.A O no hydrogen 3.038 N/A LYS 236.A N ILE 250.A O no hydrogen 2.899 N/A ARG 239.A NH1 GLU 211.A OE1 no hydrogen 3.340 N/A ARG 239.A NH2 GLU 211.A O no hydrogen 3.086 N/A GLN 240.A NE2 GLU 211.A OE2 no hydrogen 3.217 N/A ARG 242.A NE ARG 239.A O no hydrogen 3.274 N/A SER 244.A OG ASN 7.A O no hydrogen 2.607 N/A SER 244.A OG HIS 246.A O no hydrogen 3.369 N/A GLN 245.A N ASN 9.A OD1 no hydrogen 3.095 N/A HIS 246.A N SER 244.A OG no hydrogen 3.154 N/A HIS 246.A ND1 ASP 220.A OD2 no hydrogen 2.896 N/A HIS 246.A NE2 TYR 150.A OH no hydrogen 2.944 N/A ALA 247.A N SER 202.A O no hydrogen 2.740 N/A LEU 249.A N SER 5.A O no hydrogen 2.811 N/A ILE 250.A N LYS 236.A O no hydrogen 2.934 N/A VAL 251.A N ILE 3.A O no hydrogen 2.969 N/A ASP 252.A N ASN 234.A O no hydrogen 2.875 N/A TYR 253.A N MET 1.A O no hydrogen 2.778 N/A TYR 253.A OH GLN 222.A OE1 no hydrogen 2.566 N/A ASP 254.A N PHE 231.A O no hydrogen 2.783 N/A