Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nf6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N THR 70.A O no hydrogen 2.801 N/A LYS 4.A N ASP 107.A OD2 no hydrogen 2.966 N/A LYS 4.A NZ GLY 104.A O no hydrogen 3.170 N/A ILE 5.A N GLU 72.A O no hydrogen 2.790 N/A VAL 6.A N MET 108.A O no hydrogen 3.011 N/A THR 7.A N HIS 74.A O no hydrogen 2.926 N/A THR 7.A OG1 VAL 110.A O no hydrogen 2.647 N/A ILE 8.A N THR 7.A OG1 no hydrogen 2.849 N/A GLN 10.A N VAL 14.A O no hydrogen 2.950 N/A GLN 10.A NE2 HIS 9.A O no hydrogen 3.038 N/A PHE 13.A N GLN 10.A O no hydrogen 2.848 N/A VAL 14.A N GLN 10.A O no hydrogen 2.886 N/A TYR 15.A N TYR 53.A O no hydrogen 2.726 N/A LYS 17.A N CYS 51.A O no hydrogen 2.846 N/A THR 19.A OG1 MET 20.A O no hydrogen 3.288 N/A MET 20.A N THR 24.A O no hydrogen 2.802 N/A GLY 23.A N MET 20.A O no hydrogen 2.715 N/A THR 24.A OG1 ASP 22.A OD2 no hydrogen 2.400 N/A THR 30.A N ASP 34.A O no hydrogen 2.696 N/A ASN 32.A N THR 30.A OG1 no hydrogen 3.287 N/A GLY 33.A N THR 30.A O no hydrogen 2.888 N/A ASP 34.A N THR 30.A OG1 no hydrogen 3.074 N/A VAL 36.A N GLU 28.A O no hydrogen 2.862 N/A LYS 38.A NZ LYS 26.A O no hydrogen 2.821 N/A LYS 38.A NZ GLU 28.A OE1 no hydrogen 2.936 N/A VAL 39.A N CYS 52.A O no hydrogen 3.033 N/A CYS 41.A N GLN 50.A O no hydrogen 2.733 N/A CYS 41.A SG GLN 50.A O no hydrogen 3.694 N/A THR 42.A N VAL 73.A O no hydrogen 3.220 N/A GLY 43.A N VAL 48.A O no hydrogen 3.182 N/A ASN 45.A N HIS 46.A O no hydrogen 3.053 N/A VAL 48.A N GLY 43.A O no hydrogen 3.053 N/A GLN 50.A N CYS 41.A O no hydrogen 2.903 N/A GLN 50.A NE2 VAL 48.A O no hydrogen 3.620 N/A CYS 51.A N LYS 17.A O no hydrogen 2.754 N/A CYS 51.A SG.A PRO 18.A O no hydrogen 3.925 N/A CYS 51.A SG.B LYS 17.A O no hydrogen 3.155 N/A CYS 51.A SG.B PRO 18.A O no hydrogen 3.122 N/A CYS 52.A N VAL 39.A O no hydrogen 3.016 N/A CYS 52.A SG.B VAL 39.A O no hydrogen 3.889 N/A TYR 53.A N TYR 15.A O no hydrogen 3.272 N/A PHE 55.A N PRO 12.A O no hydrogen 3.408 N/A CYS 56.A N PHE 13.A O no hydrogen 2.906 N/A ASP 58.A N GLY 54.A O no hydrogen 2.972 N/A LEU 59.A N PHE 55.A O no hydrogen 3.037 N/A LEU 60.A N CYS 56.A O no hydrogen 2.963 N/A ILE 61.A N ILE 57.A O no hydrogen 3.041 N/A LYS 62.A N ASP 58.A O no hydrogen 3.097 N/A LEU 63.A N LEU 59.A O no hydrogen 2.915 N/A ALA 64.A N LEU 60.A O no hydrogen 2.780 N/A ARG 65.A N ILE 61.A O no hydrogen 3.035 N/A THR 66.A N LYS 62.A O no hydrogen 2.998 N/A THR 66.A OG1 LYS 62.A O no hydrogen 2.777 N/A MET 67.A N LEU 63.A O no hydrogen 2.931 N/A PHE 69.A N ALA 64.A O no hydrogen 3.021 N/A THR 70.A N THR 1.A O no hydrogen 3.110 N/A THR 70.A OG1 THR 1.A O no hydrogen 3.246 N/A GLU 72.A N LEU 3.A O no hydrogen 2.934 N/A HIS 74.A N ILE 5.A O no hydrogen 2.785 N/A HIS 74.A NE2 GLU 100.A OE1 no hydrogen 2.444 N/A LEU 75.A N THR 42.A O no hydrogen 2.814 N/A VAL 76.A N THR 7.A O no hydrogen 2.928 N/A ALA 77.A N GLU 100.A OE2 no hydrogen 2.879 N/A GLY 79.A N VAL 76.A O no hydrogen 3.201 N/A LYS 80.A N ASP 78.A OD1 no hydrogen 2.848 N/A LYS 80.A NZ ASP 78.A O no hydrogen 3.029 N/A LYS 80.A NZ GLU 192.A OE1 no hydrogen 3.190 N/A GLY 82.A N GLN 166.A O no hydrogen 3.023 N/A THR 83.A N ASN 95.A OD1 no hydrogen 2.705 N/A THR 83.A OG1 GLU 85.A OE2 no hydrogen 2.795 N/A GLN 84.A NE2 TYR 122.A OH no hydrogen 2.967 N/A GLU 85.A N GLU 93.A O no hydrogen 2.838 N/A VAL 87.A N LYS 91.A O no hydrogen 3.015 N/A SER 89.A OG ASN 88.A O no hydrogen 3.205 N/A LYS 91.A N SER 89.A O no hydrogen 2.917 N/A GLU 93.A N GLU 85.A O no hydrogen 2.754 N/A ASN 95.A N THR 83.A O no hydrogen 3.039 N/A ASN 95.A ND2 THR 83.A OG1 no hydrogen 3.248 N/A GLY 96.A N ASP 78.A OD2 no hydrogen 2.755 N/A MET 97.A N LYS 80.A O no hydrogen 3.059 N/A MET 98.A N PHE 81.A O no hydrogen 3.278 N/A GLY 99.A N ASN 95.A O no hydrogen 2.967 N/A GLU 100.A N GLY 96.A O no hydrogen 3.209 N/A LEU 101.A N MET 97.A O no hydrogen 2.997 N/A LEU 102.A N MET 98.A O no hydrogen 2.979 N/A SER 103.A N GLY 99.A O no hydrogen 2.871 N/A SER 103.A OG GLY 99.A O no hydrogen 3.119 N/A SER 103.A OG GLU 100.A O no hydrogen 3.211 N/A GLY 104.A N LEU 101.A O no hydrogen 3.391 N/A GLN 105.A NE2 SER 103.A OG no hydrogen 2.630 N/A ALA 106.A N GLU 100.A O no hydrogen 3.071 N/A ASP 107.A N LYS 4.A O no hydrogen 2.736 N/A MET 108.A N LYS 4.A O no hydrogen 3.334 N/A ILE 109.A N GLY 241.A O no hydrogen 2.820 N/A VAL 110.A N VAL 6.A O no hydrogen 3.102 N/A LEU 113.A N ALA 111.A O no hydrogen 2.613 N/A THR 114.A OG1 SER 168.A OG no hydrogen 3.218 N/A ILE 115.A N GLY 237.A O no hydrogen 2.871 N/A GLU 118.A N GLU 118.A OE1 no hydrogen 2.519 N/A ARG 119.A N ASN 116.A OD1 no hydrogen 2.914 N/A ARG 119.A NE GLY 82.A O no hydrogen 3.233 N/A ARG 119.A NH1 THR 114.A O no hydrogen 2.994 N/A ARG 119.A NH2 GLY 82.A O no hydrogen 2.851 N/A ALA 120.A N ASN 116.A O no hydrogen 3.043 N/A GLN 121.A N ASN 117.A O no hydrogen 3.167 N/A GLN 121.A NE2.A ASN 117.A OD1 no hydrogen 3.053 N/A GLN 121.A NE2.B ASN 117.A OD1 no hydrogen 3.336 N/A TYR 122.A N ARG 119.A O no hydrogen 3.026 N/A ILE 123.A N ARG 119.A O no hydrogen 3.061 N/A GLU 124.A N MET 242.A O no hydrogen 2.768 N/A SER 126.A N ILE 240.A O no hydrogen 2.901 N/A SER 126.A OG LYS 127.A O no hydrogen 2.798 N/A LYS 127.A N SER 253.A OG no hydrogen 2.869 N/A PHE 129.A N PHE 238.A O no hydrogen 2.814 N/A LYS 130.A NZ ASP 269.A OD1.A no hydrogen 2.837 N/A LYS 130.A NZ ASP 269.A OD1.B no hydrogen 2.754 N/A GLN 132.A N SER 236.A O no hydrogen 2.932 N/A GLN 132.A NE2 ASP 212.A OD1 no hydrogen 2.874 N/A GLY 133.A N SER 213.A OG no hydrogen 3.086 N/A LEU 134.A N PHE 234.A O no hydrogen 2.877 N/A THR 135.A N TRP 211.A O no hydrogen 2.951 N/A THR 135.A OG1 THR 229.A O no hydrogen 3.370 N/A THR 135.A OG1 GLU 231.A O no hydrogen 2.769 N/A ILE 136.A N THR 135.A OG1 no hydrogen 2.719 N/A LEU 137.A N PHE 209.A O no hydrogen 2.838 N/A VAL 138.A N VAL 227.A O no hydrogen 2.868 N/A LYS 139.A NZ ARG 202.A O no hydrogen 3.333 N/A LYS 139.A NZ ASN 204.A OD1 no hydrogen 2.930 N/A LYS 140.A N ASP 225.A O no hydrogen 2.859 N/A THR 142.A N LYS 139.A O no hydrogen 2.844 N/A THR 142.A OG1 LYS 139.A O no hydrogen 3.218 N/A THR 145.A N ASP 149.A OD2 no hydrogen 3.079 N/A ASP 149.A N GLY 146.A O no hydrogen 3.158 N/A ARG 151.A N ASP 149.A OD1 no hydrogen 2.918 N/A ARG 151.A NH2 ARG 143.A O no hydrogen 2.562 N/A LEU 152.A N ASP 149.A O no hydrogen 2.769 N/A ARG 153.A N ASP 149.A O no hydrogen 2.772 N/A ARG 153.A NE ILE 147.A O no hydrogen 2.843 N/A ARG 153.A NH2 ILE 147.A O no hydrogen 3.440 N/A ASN 154.A N PRO 150.A O no hydrogen 2.799 N/A LYS 158.A N SER 156.A OG no hydrogen 3.207 N/A ILE 160.A N HIS 207.A ND1 no hydrogen 2.894 N/A TYR 161.A N HIS 185.A NE2 no hydrogen 3.043 N/A TYR 161.A OH LEU 152.A O no hydrogen 2.788 N/A ALA 162.A N ALA 208.A O no hydrogen 3.088 N/A THR 163.A N ASN 190.A OD1 no hydrogen 2.920 N/A THR 163.A OG1 ILE 210.A O no hydrogen 2.655 N/A VAL 164.A N THR 163.A OG1 no hydrogen 2.693 N/A LYS 165.A N TYR 191.A O no hydrogen 2.835 N/A LYS 165.A NZ GLU 192.A OE2 no hydrogen 2.460 N/A GLN 166.A N ASP 170.A OD2 no hydrogen 3.307 N/A SER 167.A OG VAL 164.A O no hydrogen 2.614 N/A SER 168.A OG THR 114.A OG1 no hydrogen 3.218 N/A ILE 171.A N SER 167.A O no hydrogen 3.108 N/A TYR 172.A N SER 168.A O no hydrogen 2.859 N/A PHE 173.A N VAL 169.A O no hydrogen 3.159 N/A ARG 174.A N ASP 170.A O no hydrogen 2.940 N/A ARG 174.A NH1 GLU 85.A OE1 no hydrogen 3.059 N/A ARG 174.A NH1 GLU 85.A OE2 no hydrogen 3.243 N/A ARG 174.A NH2 GLU 85.A OE2 no hydrogen 3.295 N/A ARG 174.A NH2 ASP 170.A OD2 no hydrogen 2.894 N/A ARG 175.A N ILE 171.A O no hydrogen 2.908 N/A ARG 175.A NH1 GLU 118.A OE2 no hydrogen 2.808 N/A LEU 179.A N GLN 176.A O no hydrogen 2.835 N/A SER 180.A N VAL 177.A O no hydrogen 3.093 N/A SER 180.A OG VAL 177.A O no hydrogen 2.820 N/A TYR 183.A N LEU 179.A O no hydrogen 2.871 N/A TYR 183.A OH ASP 170.A OD1 no hydrogen 3.076 N/A ARG 184.A N SER 180.A O no hydrogen 2.983 N/A HIS 185.A N THR 181.A O no hydrogen 3.391 N/A MET 186.A N MET 182.A O no hydrogen 2.954 N/A GLU 187.A N TYR 183.A O no hydrogen 2.926 N/A LYS 188.A N HIS 185.A O no hydrogen 3.146 N/A HIS 189.A N MET 186.A O no hydrogen 2.762 N/A TYR 191.A N THR 163.A O no hydrogen 2.971 N/A SER 193.A OG GLU 196.A OE2 no hydrogen 3.259 N/A GLU 196.A N SER 193.A OG no hydrogen 3.336 N/A ALA 197.A N SER 193.A O no hydrogen 3.269 N/A ILE 198.A N ALA 194.A O no hydrogen 2.936 N/A GLN 199.A N ALA 195.A O no hydrogen 3.004 N/A GLN 199.A NE2 ASP 203.A OD1 no hydrogen 2.763 N/A GLN 199.A NE2 ASP 203.A OD2 no hydrogen 3.239 N/A ALA 200.A N GLU 196.A O no hydrogen 3.023 N/A VAL 201.A N ALA 197.A O no hydrogen 3.038 N/A ARG 202.A N ILE 198.A O no hydrogen 3.195 N/A ARG 202.A NE ASP 225.A OD1 no hydrogen 3.479 N/A ARG 202.A NE ASP 225.A OD2 no hydrogen 3.122 N/A ARG 202.A NH2 ASP 225.A OD1 no hydrogen 2.951 N/A ASP 203.A N GLN 199.A O no hydrogen 2.952 N/A ASN 204.A N VAL 201.A O no hydrogen 3.110 N/A LYS 205.A N ALA 200.A O no hydrogen 2.794 N/A LEU 206.A N ALA 200.A O no hydrogen 3.104 N/A HIS 207.A N ILE 160.A O no hydrogen 2.815 N/A ALA 208.A N ILE 160.A O no hydrogen 3.130 N/A PHE 209.A N LEU 137.A O no hydrogen 2.959 N/A ILE 210.A N ALA 162.A O no hydrogen 2.937 N/A TRP 211.A N THR 135.A O no hydrogen 3.070 N/A TRP 211.A NE1 GLN 10.A OE1 no hydrogen 2.838 N/A SER 213.A N GLY 133.A O no hydrogen 2.715 N/A SER 213.A OG GLN 132.A OE1 no hydrogen 3.569 N/A SER 213.A OG GLY 133.A O no hydrogen 3.026 N/A ALA 214.A N GLN 132.A OE1 no hydrogen 2.811 N/A VAL 215.A N ASP 212.A O no hydrogen 3.119 N/A LEU 216.A N ASP 212.A O no hydrogen 2.865 N/A GLU 217.A N SER 213.A O no hydrogen 2.996 N/A GLU 219.A N VAL 215.A O no hydrogen 3.041 N/A ALA 220.A N LEU 216.A O no hydrogen 2.996 N/A SER 221.A N GLU 217.A O no hydrogen 3.147 N/A SER 221.A N PHE 218.A O no hydrogen 3.192 N/A SER 221.A OG.A PHE 218.A O no hydrogen 2.835 N/A SER 221.A OG.B PHE 218.A O no hydrogen 2.835 N/A SER 221.A OG.C GLU 217.A O no hydrogen 2.513 N/A GLN 222.A N PHE 218.A O no hydrogen 3.189 N/A GLN 222.A N GLU 219.A O no hydrogen 3.227 N/A GLN 222.A NE2 SER 221.A OG.A no hydrogen 2.918 N/A GLN 222.A NE2 SER 221.A OG.B no hydrogen 2.918 N/A LYS 223.A N GLU 219.A O no hydrogen 2.920 N/A LYS 223.A NZ GLU 219.A OE1 no hydrogen 2.907 N/A ASP 225.A N ASP 225.A OD1 no hydrogen 2.613 N/A LEU 226.A N LYS 223.A O no hydrogen 2.936 N/A VAL 227.A N VAL 138.A O no hydrogen 2.937 N/A THR 229.A N ILE 136.A O no hydrogen 2.964 N/A THR 229.A OG1 ILE 144.A O no hydrogen 2.744 N/A PHE 233.A N LEU 134.A O no hydrogen 3.045 N/A SER 236.A N GLN 132.A O no hydrogen 2.946 N/A PHE 238.A N LYS 130.A O no hydrogen 2.936 N/A GLY 239.A N LEU 113.A O no hydrogen 3.075 N/A ILE 240.A N SER 126.A OG no hydrogen 2.855 N/A GLY 241.A N ILE 109.A O no hydrogen 3.142 N/A MET 242.A N GLU 124.A O no hydrogen 2.818 N/A ARG 243.A NH1 LEU 101.A O no hydrogen 2.846 N/A ARG 243.A NH1 ALA 106.A O no hydrogen 2.823 N/A ARG 243.A NH2 ASP 107.A OD1 no hydrogen 3.058 N/A SER 246.A N ARG 243.A O no hydrogen 3.083 N/A TRP 248.A N SER 246.A OG no hydrogen 3.102 N/A LYS 249.A NZ LYS 244.A O no hydrogen 3.247 N/A VAL 252.A N TRP 248.A O no hydrogen 2.945 N/A SER 253.A N LYS 249.A O no hydrogen 3.195 N/A LEU 254.A N GLN 250.A O no hydrogen 2.885 N/A SER 255.A N ASN 251.A O no hydrogen 2.876 N/A ILE 256.A N VAL 252.A O no hydrogen 2.998 N/A LEU 257.A N SER 253.A O no hydrogen 3.033 N/A LYS 258.A N LEU 254.A O no hydrogen 2.927 N/A SER 259.A N SER 255.A O no hydrogen 2.930 N/A SER 259.A OG SER 255.A O no hydrogen 3.019 N/A HIS 260.A N ILE 256.A O no hydrogen 2.975 N/A HIS 260.A NE2 PRO 128.A O no hydrogen 2.938 N/A GLU 261.A N LEU 257.A O no hydrogen 3.075 N/A ASN 262.A N LYS 258.A O no hydrogen 2.922 N/A PHE 264.A N ASN 262.A OD1 no hydrogen 3.025 N/A MET 265.A N SER 259.A O no hydrogen 3.063 N/A ASP 267.A N GLY 263.A O no hydrogen 2.978 N/A LEU 268.A N PHE 264.A O no hydrogen 3.049 N/A ASP 269.A N.A MET 265.A O no hydrogen 2.908 N/A ASP 269.A N.B MET 265.A O no hydrogen 2.901 N/A LYS 270.A N GLU 266.A O no hydrogen 3.000 N/A THR 271.A N ASP 267.A O no hydrogen 2.908 N/A THR 271.A OG1 ASP 267.A O no hydrogen 3.046 N/A TRP 272.A N LEU 268.A O no hydrogen 2.908 N/A TRP 272.A NE1 ASP 58.A OD2 no hydrogen 2.922 N/A VAL 273.A N ASP 269.A O.A no hydrogen 2.872 N/A VAL 273.A N ASP 269.A O.B no hydrogen 2.823 N/A ARG 274.A N ASP 269.A O.A no hydrogen 2.640 N/A ARG 274.A N ASP 269.A O.B no hydrogen 2.675 N/A ARG 274.A NH1 GLU 266.A OE2 no hydrogen 3.286 N/A ARG 274.A NH2 GLU 266.A OE1 no hydrogen 3.360 N/A TYR 275.A OH GLU 217.A OE1 no hydrogen 2.940 N/A CYS 278.A SG ALA 220.A O no hydrogen 3.411 N/A