Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pf3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 6.A N SER 3.A OG no hydrogen 3.064 N/A VAL 7.A N SER 3.A O no hydrogen 3.001 N/A LEU 8.A N PRO 4.A O no hydrogen 2.846 N/A GLU 9.A N VAL 5.A O no hydrogen 3.079 N/A ASN 10.A N MET 6.A O no hydrogen 3.090 N/A ILE 11.A N VAL 7.A O no hydrogen 2.916 N/A GLU 12.A N GLU 9.A O no hydrogen 3.423 N/A ALA 18.A N ASP 98.A OD1 no hydrogen 2.829 N/A TYR 20.A N ASP 98.A OD2 no hydrogen 3.060 N/A TYR 20.A OH ASP 26.A OD1 no hydrogen 2.445 N/A SER 23.A N ASP 21.A OD1 no hydrogen 2.830 N/A SER 23.A OG ASP 21.A OD1 no hydrogen 2.739 N/A SER 23.A OG ASP 21.A OD2 no hydrogen 3.386 N/A LYS 24.A N ASP 21.A O no hydrogen 3.225 N/A ASN 30.A N THR 27.A OG1 no hydrogen 3.057 N/A ASN 30.A ND2 PRO 25.A O no hydrogen 2.896 N/A LEU 31.A N THR 27.A O no hydrogen 2.942 N/A LEU 32.A N ALA 28.A O no hydrogen 2.826 N/A SER 33.A N GLU 29.A O no hydrogen 2.988 N/A SER 33.A OG GLU 29.A O no hydrogen 2.777 N/A THR 34.A N ASN 30.A O no hydrogen 3.025 N/A THR 34.A OG1 ASN 30.A O no hydrogen 2.801 N/A LEU 35.A N LEU 31.A O no hydrogen 2.940 N/A ASN 36.A N LEU 32.A O no hydrogen 2.865 N/A ASN 36.A ND2 GLU 221.A O no hydrogen 2.948 N/A ARG 37.A N SER 33.A O no hydrogen 3.008 N/A LEU 38.A N THR 34.A O no hydrogen 2.925 N/A ALA 39.A N LEU 35.A O no hydrogen 2.878 N/A GLY 40.A N ASN 36.A O no hydrogen 2.912 N/A LYS 41.A N ARG 37.A O no hydrogen 2.956 N/A GLN 42.A N LEU 38.A O no hydrogen 2.914 N/A MET 43.A N ALA 39.A O no hydrogen 2.802 N/A ILE 44.A N GLY 40.A O no hydrogen 3.133 N/A GLN 45.A N LYS 41.A O no hydrogen 3.264 N/A GLN 45.A NE2 GLU 14.A O no hydrogen 2.973 N/A VAL 46.A N GLN 42.A O no hydrogen 2.857 N/A VAL 47.A N MET 43.A O no hydrogen 3.001 N/A LYS 48.A N ILE 44.A O no hydrogen 3.215 N/A TRP 49.A N GLN 45.A O no hydrogen 2.871 N/A ALA 50.A N VAL 46.A O no hydrogen 2.838 N/A LYS 51.A N VAL 47.A O no hydrogen 3.182 N/A VAL 52.A N TRP 49.A O no hydrogen 3.084 N/A LEU 53.A N ALA 50.A O no hydrogen 3.340 N/A PHE 56.A N LEU 53.A O no hydrogen 2.993 N/A ASN 58.A N GLY 55.A O no hydrogen 3.138 N/A LEU 59.A N PHE 56.A O no hydrogen 3.047 N/A GLN 64.A N PRO 60.A O no hydrogen 2.981 N/A GLN 64.A NE2 LEU 59.A O no hydrogen 2.853 N/A ILE 65.A N LEU 61.A O no hydrogen 3.002 N/A THR 66.A N GLU 62.A O no hydrogen 2.960 N/A THR 66.A OG1 GLU 62.A O no hydrogen 2.943 N/A LEU 67.A N ASP 63.A O no hydrogen 2.872 N/A ILE 68.A N GLN 64.A O no hydrogen 3.090 N/A GLN 69.A N ILE 65.A O no hydrogen 3.009 N/A GLN 69.A NE2 ASP 232.A OD2 no hydrogen 2.926 N/A TYR 70.A N THR 66.A O no hydrogen 2.821 N/A TYR 70.A OH ASN 241.A O no hydrogen 2.719 N/A SER 71.A N ILE 68.A O no hydrogen 3.239 N/A SER 71.A OG LEU 67.A O no hydrogen 2.789 N/A TRP 72.A NE1 GLN 233.A OE1.B no hydrogen 3.015 N/A LEU 75.A N SER 71.A O no hydrogen 2.956 N/A LEU 76.A N TRP 72.A O no hydrogen 2.995 N/A SER 77.A N MET 73.A O no hydrogen 2.925 N/A SER 77.A OG MET 73.A O no hydrogen 2.789 N/A PHE 78.A N SER 74.A O no hydrogen 2.887 N/A ALA 79.A N LEU 75.A O no hydrogen 3.067 N/A LEU 80.A N LEU 76.A O no hydrogen 2.969 N/A SER 81.A N SER 77.A O no hydrogen 2.949 N/A TRP 82.A N PHE 78.A O no hydrogen 2.989 N/A ARG 83.A N ALA 79.A O no hydrogen 2.905 N/A ARG 83.A NE TYR 94.A O no hydrogen 3.009 N/A ARG 83.A NE PHE 95.A O no hydrogen 3.206 N/A ARG 83.A NH2 PHE 95.A O no hydrogen 2.962 N/A SER 84.A N LEU 80.A O no hydrogen 2.936 N/A SER 84.A OG LEU 80.A O no hydrogen 2.797 N/A SER 84.A OG PHE 92.A O no hydrogen 3.475 N/A TYR 85.A N SER 81.A O no hydrogen 2.915 N/A TYR 85.A OH LEU 130.A O no hydrogen 3.239 N/A LYS 86.A N TRP 82.A O no hydrogen 2.791 N/A HIS 87.A N ARG 83.A O no hydrogen 2.866 N/A THR 88.A N SER 84.A O no hydrogen 3.018 N/A THR 88.A OG1 SER 84.A O no hydrogen 2.756 N/A THR 88.A OG1 PHE 92.A O no hydrogen 3.279 N/A SER 90.A N SER 84.A O no hydrogen 2.925 N/A SER 90.A OG SER 122.A O no hydrogen 2.835 N/A GLN 91.A N THR 88.A O no hydrogen 3.094 N/A PHE 92.A N THR 88.A OG1 no hydrogen 3.109 N/A LEU 93.A N PHE 101.A O no hydrogen 3.071 N/A TYR 94.A N SER 84.A OG no hydrogen 2.890 N/A ALA 96.A N LEU 99.A O no hydrogen 3.110 N/A LEU 99.A N ALA 96.A O no hydrogen 2.934 N/A PHE 101.A N LEU 93.A O no hydrogen 2.898 N/A LYS 105.A N ASN 102.A OD1 no hydrogen 3.184 N/A LYS 105.A NZ ASP 26.A OD2 no hydrogen 3.096 N/A LYS 105.A NZ GLN 108.A OE1 no hydrogen 2.915 N/A MET 106.A N ASN 102.A O no hydrogen 3.056 N/A HIS 107.A N GLU 103.A O no hydrogen 2.994 N/A GLN 108.A N GLU 104.A O no hydrogen 2.863 N/A SER 109.A N LYS 105.A O no hydrogen 2.932 N/A SER 109.A OG MET 106.A O no hydrogen 2.759 N/A ALA 110.A N HIS 107.A O no hydrogen 3.108 N/A MET 111.A N SER 109.A OG no hydrogen 3.034 N/A TYR 112.A OH GLU 103.A OE1 no hydrogen 2.626 N/A CYS 115.A N MET 111.A O no hydrogen 2.901 N/A CYS 115.A SG MET 111.A O no hydrogen 3.459 N/A GLN 116.A N TYR 112.A O no hydrogen 2.830 N/A GLY 117.A N GLU 113.A O no hydrogen 3.010 N/A MET 118.A N LEU 114.A O no hydrogen 3.030 N/A HIS 119.A N CYS 115.A O no hydrogen 2.861 N/A HIS 119.A NE2 SER 90.A O no hydrogen 2.830 N/A GLN 120.A N GLN 116.A O no hydrogen 2.996 N/A ILE 121.A N GLY 117.A O no hydrogen 3.371 N/A SER 122.A N MET 118.A O no hydrogen 3.138 N/A SER 122.A OG.A HIS 119.A O no hydrogen 2.786 N/A SER 122.A OG.B MET 118.A O no hydrogen 3.415 N/A LEU 123.A N HIS 119.A O no hydrogen 2.895 N/A GLN 124.A N GLN 120.A O no hydrogen 3.043 N/A PHE 125.A N ILE 121.A O no hydrogen 3.141 N/A VAL 126.A N SER 122.A O no hydrogen 3.354 N/A ARG 127.A N LEU 123.A O no hydrogen 2.962 N/A ARG 127.A NE GLN 124.A OE1 no hydrogen 2.700 N/A ARG 127.A NH1 GLN 124.A OE1 no hydrogen 3.137 N/A ARG 127.A NH1 GLN 189.A OE1.A no hydrogen 2.813 N/A ARG 127.A NH2 GLN 189.A OE1.A no hydrogen 2.799 N/A ARG 127.A NH2 GLN 189.A OE1.B no hydrogen 2.943 N/A LEU 128.A N GLN 124.A O no hydrogen 2.939 N/A GLN 129.A N VAL 126.A O no hydrogen 3.147 N/A GLN 129.A NE2 VAL 126.A O no hydrogen 2.875 N/A LEU 130.A N PHE 125.A O no hydrogen 3.091 N/A THR 131.A N GLU 134.A OE2 no hydrogen 2.945 N/A GLU 134.A N THR 131.A OG1 no hydrogen 3.122 N/A TYR 135.A N THR 131.A O no hydrogen 2.911 N/A TYR 135.A OH GLU 12.A OE1 no hydrogen 2.753 N/A THR 136.A N PHE 132.A O no hydrogen 2.881 N/A THR 136.A OG1 PHE 132.A O no hydrogen 3.514 N/A THR 136.A OG1 GLU 133.A O no hydrogen 3.134 N/A ILE 137.A N GLU 133.A O no hydrogen 3.165 N/A MET 138.A N GLU 134.A O no hydrogen 2.842 N/A LYS 139.A N TYR 135.A O no hydrogen 2.898 N/A LYS 139.A NZ GLU 12.A OE2 no hydrogen 2.820 N/A VAL 140.A N THR 136.A O no hydrogen 3.394 N/A LEU 141.A N ILE 137.A O no hydrogen 3.024 N/A LEU 142.A N MET 138.A O no hydrogen 2.928 N/A LEU 143.A N LYS 139.A O no hydrogen 3.094 N/A LEU 144.A N VAL 140.A O no hydrogen 3.168 N/A LEU 144.A N LEU 141.A O no hydrogen 3.076 N/A SER 145.A N LEU 142.A O no hydrogen 3.103 N/A SER 145.A OG.A LEU 142.A O no hydrogen 2.685 N/A SER 145.A OG.A THR 146.A OG1 no hydrogen 3.301 N/A SER 145.A OG.B LEU 141.A O no hydrogen 2.461 N/A THR 146.A OG1 SER 145.A OG.A no hydrogen 3.301 N/A ILE 147.A N LYS 243.A O no hydrogen 2.966 N/A ASP 150.A N ASN 241.A OD1 no hydrogen 2.946 N/A LYS 153.A N ASP 63.A OD1 no hydrogen 2.782 N/A LYS 153.A NZ GLU 62.A OE2 no hydrogen 3.291 N/A SER 154.A N ASP 63.A OD2 no hydrogen 2.926 N/A GLN 155.A NE2 GLU 159.A OE2 no hydrogen 2.960 N/A ALA 157.A N SER 154.A OG no hydrogen 2.982 N/A PHE 158.A N SER 154.A O no hydrogen 3.171 N/A GLU 159.A N GLN 155.A O no hydrogen 2.903 N/A GLU 160.A N ALA 156.A O no hydrogen 3.002 N/A MET 161.A N ALA 157.A O no hydrogen 3.117 N/A ARG 162.A N PHE 158.A O no hydrogen 2.894 N/A THR 163.A N GLU 159.A O no hydrogen 2.886 N/A THR 163.A OG1 GLU 159.A O no hydrogen 2.840 N/A ASN 164.A N GLU 160.A O no hydrogen 2.913 N/A TYR 165.A N MET 161.A O no hydrogen 3.020 N/A TYR 165.A OH PRO 54.A O no hydrogen 2.687 N/A ILE 166.A N ARG 162.A O no hydrogen 2.892 N/A LYS 167.A N THR 163.A O no hydrogen 2.922 N/A GLU 168.A N ASN 164.A O no hydrogen 2.895 N/A LEU 169.A N TYR 165.A O no hydrogen 3.030 N/A ARG 170.A N ILE 166.A O no hydrogen 2.877 N/A LYS 171.A N LYS 167.A O no hydrogen 2.846 N/A MET 172.A N GLU 168.A O no hydrogen 2.989 N/A VAL 173.A N LEU 169.A O no hydrogen 2.974 N/A THR 174.A N ARG 170.A O no hydrogen 2.926 N/A THR 174.A OG1 ARG 170.A O no hydrogen 2.739 N/A LYS 175.A N LYS 171.A O no hydrogen 2.989 N/A CYS 176.A N VAL 173.A O no hydrogen 3.443 N/A ASN 179.A N CYS 176.A O no hydrogen 2.938 N/A ASN 179.A ND2 VAL 173.A O no hydrogen 2.919 N/A SER 180.A N PRO 177.A O no hydrogen 3.395 N/A SER 180.A OG PRO 177.A O no hydrogen 2.874 N/A GLN 182.A N ASN 179.A O no hydrogen 2.952 N/A ARG 186.A N GLN 182.A O no hydrogen 2.970 N/A ARG 186.A NE GLU 134.A OE1 no hydrogen 2.740 N/A ARG 186.A NH1 LEU 128.A O no hydrogen 2.872 N/A ARG 186.A NH2 LEU 128.A O no hydrogen 2.922 N/A ARG 186.A NH2 GLN 129.A O no hydrogen 3.372 N/A ARG 186.A NH2 GLU 134.A OE1 no hydrogen 3.390 N/A ARG 186.A NH2 GLU 134.A OE2 no hydrogen 2.815 N/A PHE 187.A N SER 183.A O no hydrogen 2.860 N/A TYR 188.A N TRP 184.A O no hydrogen 2.920 N/A GLN 189.A N GLN 185.A O no hydrogen 2.995 N/A GLN 189.A NE2.A GLN 185.A OE1.A no hydrogen 3.002 N/A LEU 190.A N ARG 186.A O no hydrogen 2.914 N/A THR 191.A N PHE 187.A O no hydrogen 2.975 N/A THR 191.A OG1 PHE 187.A O no hydrogen 3.164 N/A THR 191.A OG1 TYR 188.A O no hydrogen 3.136 N/A THR 191.A OG1 HIS 248.A NE2 no hydrogen 2.711 N/A LYS 192.A N TYR 188.A O no hydrogen 2.886 N/A LEU 193.A N GLN 189.A O no hydrogen 2.924 N/A LEU 194.A N LEU 190.A O no hydrogen 2.952 N/A ASP 195.A N THR 191.A O no hydrogen 2.985 N/A SER 196.A N LYS 192.A O no hydrogen 2.957 N/A SER 196.A OG.A LEU 193.A O no hydrogen 2.737 N/A SER 196.A OG.B LYS 192.A O no hydrogen 3.250 N/A MET 197.A N LEU 193.A O no hydrogen 3.245 N/A MET 197.A N LEU 194.A O no hydrogen 2.998 N/A HIS 198.A N ASP 195.A O no hydrogen 3.091 N/A HIS 198.A NE2 LEU 245.A O no hydrogen 2.829 N/A LEU 200.A N SER 196.A O no hydrogen 3.511 N/A VAL 201.A N MET 197.A O no hydrogen 2.829 N/A SER 202.A N HIS 198.A O no hydrogen 2.913 N/A ASP 203.A N ASP 199.A O no hydrogen 3.311 N/A LEU 204.A N LEU 200.A O no hydrogen 2.904 N/A LEU 205.A N VAL 201.A O no hydrogen 2.842 N/A GLU 206.A N SER 202.A O no hydrogen 2.942 N/A PHE 207.A N ASP 203.A O no hydrogen 3.257 N/A CYS 208.A N LEU 204.A O no hydrogen 2.975 N/A PHE 209.A N LEU 205.A O no hydrogen 2.776 N/A TYR 210.A N GLU 206.A O no hydrogen 3.145 N/A THR 211.A N PHE 207.A O no hydrogen 3.027 N/A THR 211.A OG1 CYS 208.A O no hydrogen 3.321 N/A PHE 212.A N CYS 208.A O no hydrogen 2.879 N/A ARG 213.A N PHE 209.A O no hydrogen 3.001 N/A ARG 213.A NH1 GLU 238.A OE2 no hydrogen 2.626 N/A ARG 213.A NH2 GLU 238.A OE2 no hydrogen 2.319 N/A GLU 214.A N TYR 210.A O no hydrogen 3.013 N/A SER 215.A N PHE 212.A O no hydrogen 3.188 N/A SER 215.A OG VAL 220.A O no hydrogen 2.620 N/A LEU 218.A N GLU 214.A O no hydrogen 2.819 N/A VAL 220.A N SER 215.A O no hydrogen 3.107 N/A GLU 221.A N SER 33.A OG no hydrogen 2.920 N/A VAL 227.A N PRO 223.A O no hydrogen 3.015 N/A GLU 228.A N ALA 224.A O no hydrogen 2.901 N/A ILE 229.A N MET 225.A O no hydrogen 3.168 N/A ILE 230.A N LEU 226.A O no hydrogen 2.844 N/A SER 231.A N VAL 227.A O no hydrogen 2.895 N/A SER 231.A OG VAL 227.A O no hydrogen 2.673 N/A ASP 232.A N GLU 228.A O no hydrogen 3.184 N/A GLN 233.A N ILE 229.A O no hydrogen 2.873 N/A LEU 234.A N ILE 230.A O no hydrogen 2.847 N/A VAL 237.A N GLN 233.A O no hydrogen 2.984 N/A GLU 238.A N LEU 234.A O no hydrogen 2.862 N/A SER 239.A N PRO 235.A O no hydrogen 3.021 N/A SER 239.A OG.A PRO 235.A O no hydrogen 2.854 N/A SER 239.A OG.B PRO 235.A O no hydrogen 3.470 N/A SER 239.A OG.B LYS 236.A O no hydrogen 2.830 N/A GLY 240.A N VAL 237.A O no hydrogen 3.039 N/A ASN 241.A N LYS 236.A O no hydrogen 2.970 N/A ASN 241.A ND2 ASP 150.A OD1 no hydrogen 2.912 N/A LYS 243.A N ILE 147.A O no hydrogen 2.786 N/A LEU 245.A N SER 145.A O no hydrogen 2.781 N/A PHE 247.A N ASP 195.A OD1 no hydrogen 2.782 N/A HIS 248.A N ASP 195.A OD2 no hydrogen 2.904 N/A HIS 248.A NE2 THR 191.A OG1 no hydrogen 2.711 N/A ARG 249.A NH1 ASP 199.A OD2.A no hydrogen 2.912 N/A ARG 249.A NH2 ASP 199.A OD1.A no hydrogen 2.864 N/A ARG 249.A NH2 ASP 199.A OD2.A no hydrogen 3.540 N/A ARG 249.A NH2 ASP 199.A OD2.B no hydrogen 2.808 N/A