Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3m61_U.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N GLY 141.A O no hydrogen 3.224 N/A ILE 1.A N LYS 142.A O no hydrogen 2.923 N/A ILE 1.A N ASP 197.A OD1 no hydrogen 3.554 N/A ILE 1.A N ASP 197.A OD2 no hydrogen 2.731 N/A ILE 2.A N ASP 192.A O no hydrogen 2.840 N/A GLU 5.A N MET 156.A O no hydrogen 2.798 N/A THR 7.A N LEU 154.A O no hydrogen 2.944 N/A THR 7.A OG1 THR 8.A O no hydrogen 3.453 N/A THR 8.A OG1 GLU 10.A OE2 no hydrogen 2.965 N/A ILE 9.A N SER 64.A OG no hydrogen 2.791 N/A GLU 10.A N GLU 10.A OE2 no hydrogen 2.829 N/A ASN 11.A N THR 8.A O no hydrogen 3.066 N/A ASN 11.A ND2 THR 7.A OG1 no hydrogen 3.050 N/A GLN 12.A N ILE 9.A O no hydrogen 2.993 N/A GLN 12.A NE2 ASN 11.A O no hydrogen 3.126 N/A GLN 12.A NE2 GLU 136.A OE1 no hydrogen 3.339 N/A TRP 14.A NE1 GLN 12.A OE1 no hydrogen 2.850 N/A PHE 15.A N GLN 12.A O no hydrogen 2.895 N/A ALA 16.A N GLY 33.A O no hydrogen 2.878 N/A ALA 17.A N TYR 60.A O no hydrogen 2.957 N/A ILE 18.A N CYS 31.A O no hydrogen 2.986 N/A TYR 19.A N ILE 58.A O no hydrogen 2.816 N/A TYR 19.A OH LEU 66.A O no hydrogen 2.654 N/A ARG 20.A N THR 28.A O no hydrogen 2.778 N/A ARG 21.A N ASP 56.A O no hydrogen 2.711 N/A ARG 21.A NH1 GLU 55A.A O no hydrogen 2.623 N/A ARG 21.A NH2 GLU 77.A OE1 no hydrogen 2.741 N/A HIS 22.A N SER 26D.A O no hydrogen 2.626 N/A HIS 22.A NE2 THR 28.A OG1 no hydrogen 2.995 N/A THR 28.A N ARG 20.A O no hydrogen 3.039 N/A THR 28.A OG1 HIS 22.A NE2 no hydrogen 2.995 N/A VAL 30.A N ILE 18.A O no hydrogen 2.832 N/A CYS 31.A N ILE 18.A O no hydrogen 3.289 N/A CYS 31.A SG VAL 30.A O no hydrogen 3.026 N/A CYS 31.A SG SER 198.A O no hydrogen 3.466 N/A GLY 32.A N SER 198.A O no hydrogen 2.981 N/A SER 34.A N ILE 42.A O no hydrogen 2.897 N/A LEU 35.A N TRP 14.A O no hydrogen 2.785 N/A ILE 36.A N TRP 40.A O no hydrogen 2.936 N/A SER 37.A N TRP 40.A O no hydrogen 3.477 N/A TRP 40.A N SER 37.A O no hydrogen 3.087 N/A VAL 41.A N LEU 101.A O no hydrogen 2.908 N/A ILE 42.A N SER 34.A O no hydrogen 2.850 N/A SER 43.A N ALA 99.A O no hydrogen 2.873 N/A SER 43.A OG GLY 32.A O no hydrogen 2.745 N/A THR 45.A OG1 ILE 98.A O no hydrogen 2.545 N/A HIS 46.A N ASP 97.A OD1 no hydrogen 2.763 N/A HIS 46.A ND1 ASP 97.A OD2 no hydrogen 2.698 N/A CYS 47.A N ALA 44.A O no hydrogen 3.298 N/A CYS 47.A SG HIS 46.A NE2 no hydrogen 4.031 N/A PHE 48.A N THR 45.A O no hydrogen 2.930 N/A LYS 54.A NZ GLU 79.A O no hydrogen 2.586 N/A ASP 56.A N LYS 53.A O no hydrogen 3.290 N/A TYR 57.A N LYS 54.A O no hydrogen 3.268 N/A TYR 57.A OH TYR 51B.A O no hydrogen 2.565 N/A ILE 58.A N TYR 19.A O no hydrogen 2.968 N/A VAL 59.A N PHE 76.A O no hydrogen 2.992 N/A TYR 60.A N ALA 17.A O no hydrogen 2.848 N/A LEU 61.A N MET 74.A O no hydrogen 2.922 N/A ARG 63.A NE TYR 19.A OH no hydrogen 3.213 N/A ARG 63.A NE ARG 65.A O no hydrogen 3.074 N/A ARG 63.A NH1 ASN 69.A OD1 no hydrogen 2.859 N/A ARG 63.A NH1 GLU 73.A OE1 no hydrogen 3.064 N/A ARG 63.A NH1 GLU 73.A OE2 no hydrogen 3.140 N/A ARG 63.A NH2 LEU 66.A O no hydrogen 3.091 N/A SER 64.A N THR 70.A OG1 no hydrogen 2.872 N/A ARG 65.A NH1 GLN 153.A OE1 no hydrogen 2.848 N/A LEU 66.A N GLU 152.A O no hydrogen 2.856 N/A ASN 67.A N GLU 152.A OE1 no hydrogen 3.178 N/A ASN 67.A N GLU 152.A OE2 no hydrogen 2.793 N/A ASN 67.A ND2 GLU 152.A OE1 no hydrogen 3.459 N/A SER 68.A OG GLU 152.A OE2 no hydrogen 3.376 N/A THR 70.A N GLU 73.A OE1 no hydrogen 3.066 N/A GLU 73.A N THR 70.A O no hydrogen 3.149 N/A MET 74.A N LEU 61.A O no hydrogen 2.908 N/A PHE 76.A N VAL 59.A O no hydrogen 2.783 N/A GLU 77.A N ARG 104.A O no hydrogen 2.801 N/A GLU 79.A N LYS 102.A O no hydrogen 2.834 N/A ILE 82.A N LEU 100.A O no hydrogen 2.781 N/A HIS 84.A N THR 45.A OG1 no hydrogen 3.135 N/A TYR 87.A N HIS 84.A O no hydrogen 3.115 N/A TYR 87.A OH HIS 94.A ND1 no hydrogen 2.950 N/A SER 88.A N HIS 95.A O no hydrogen 3.189 N/A ALA 93.A N ASP 90.A O no hydrogen 2.931 N/A HIS 95.A N SER 88.A O no hydrogen 2.914 N/A ASN 96.A ND2 ASP 86.A O no hydrogen 2.868 N/A ALA 99.A N SER 43.A O no hydrogen 3.013 N/A LEU 100.A N ILE 82.A O no hydrogen 2.894 N/A LEU 101.A N VAL 41.A O no hydrogen 2.845 N/A LYS 102.A N ASN 80.A O no hydrogen 2.887 N/A LYS 102.A NZ GLU 247.A O no hydrogen 3.382 N/A ILE 103.A N CYS 39.A O no hydrogen 2.850 N/A ARG 104.A N GLU 77.A O no hydrogen 2.996 N/A SER 105.A N ARG 109D.A O no hydrogen 2.820 N/A SER 105.A OG ARG 109D.A O no hydrogen 3.334 N/A CYS 110.A SG ILE 103.A O no hydrogen 3.752 N/A ALA 111.A N PRO 38.A O no hydrogen 2.924 N/A SER 114.A N ILE 117.A O no hydrogen 2.911 N/A SER 114.A OG THR 116.A OG1 no hydrogen 3.365 N/A THR 116.A N SER 114.A OG no hydrogen 3.191 N/A THR 116.A OG1 SER 114.A OG no hydrogen 3.365 N/A ILE 117.A N SER 114.A O no hydrogen 3.417 N/A GLN 118.A N PRO 13.A O no hydrogen 2.980 N/A ILE 120.A N LEU 35.A O no hydrogen 3.009 N/A TYR 126.A N SER 235.A O no hydrogen 3.064 N/A ASN 127.A N SER 124.A O no hydrogen 3.200 N/A ASN 127.A ND2 GLN 207.A OE1 no hydrogen 2.992 N/A GLY 132.A N LEU 161.A O no hydrogen 2.739 N/A THR 133.A N GLN 130.A O no hydrogen 3.100 N/A THR 133.A OG1 GLN 130.A O no hydrogen 2.585 N/A CYS 135.A N VAL 159.A O no hydrogen 2.803 N/A GLU 136.A N VAL 203.A O no hydrogen 2.854 N/A ILE 137.A N THR 157.A O no hydrogen 2.923 N/A GLY 139.A N LYS 155.A O no hydrogen 3.029 N/A GLY 141.A N ASP 197.A OD1 no hydrogen 2.753 N/A LYS 142.A N GLN 195.A O no hydrogen 2.880 N/A LYS 142.A NZ ASP 147.A O no hydrogen 3.039 N/A LYS 142.A NZ GLN 195.A OE1 no hydrogen 2.902 N/A ASP 147.A N GLN 144.A O no hydrogen 3.013 N/A GLN 153.A NE2 THR 7.A O no hydrogen 2.781 N/A LEU 154.A N SER 64.A O no hydrogen 3.011 N/A LYS 155.A N GLY 139.A O no hydrogen 3.036 N/A LYS 155.A NZ ILE 1.A O no hydrogen 2.880 N/A LYS 155.A NZ GLY 3.A O no hydrogen 2.762 N/A LYS 155.A NZ GLU 143.A OE2 no hydrogen 2.858 N/A MET 156.A N GLU 5.A O no hydrogen 2.900 N/A THR 157.A N ILE 137.A O no hydrogen 3.014 N/A THR 157.A OG1 THR 191.A OG1 no hydrogen 2.609 N/A VAL 159.A N CYS 135.A O no hydrogen 3.042 N/A LYS 160.A N ALA 185.A O no hydrogen 2.821 N/A LEU 161.A N THR 133.A O no hydrogen 2.950 N/A ILE 162.A N CYS 183.A O no hydrogen 2.856 N/A HIS 164.A NE2 VAL 177.A O no hydrogen 3.278 N/A GLU 166.A N SER 163.A OG no hydrogen 3.047 N/A CYS 167.A N SER 163.A O no hydrogen 2.953 N/A GLN 168.A N HIS 164.A O no hydrogen 2.985 N/A GLN 169.A N GLU 166.A O no hydrogen 3.307 N/A TYR 172.A N GLN 169.A O no hydrogen 2.985 N/A TYR 173.A N CYS 167.A O no hydrogen 3.056 N/A TYR 173.A OH PRO 228.A O no hydrogen 2.649 N/A GLY 174.A N GLN 169.A O no hydrogen 2.999 N/A GLU 176.A N TYR 173.A O no hydrogen 3.165 N/A LYS 180.A N THR 178.A OG1 no hydrogen 3.223 N/A MET 181.A N THR 178.A O no hydrogen 3.126 N/A LEU 182.A N TYR 231.A O no hydrogen 2.801 N/A ALA 184.A N GLY 229.A O no hydrogen 3.015 N/A ALA 185.A N LYS 160.A O no hydrogen 2.976 N/A TRP 189.A N ASP 186.A O no hydrogen 2.865 N/A LYS 190.A N ASP 186.A OD2 no hydrogen 3.360 N/A THR 191.A OG1 ILE 2.A O no hydrogen 2.627 N/A THR 191.A OG1 THR 157.A OG1 no hydrogen 2.609 N/A ASP 192.A N ILE 2.A O no hydrogen 3.181 N/A SER 193.A N ASP 192.A OD1 no hydrogen 2.716 N/A SER 193.A OG ASP 192.A OD1 no hydrogen 3.522 N/A SER 193.A OG TYR 231.A OH no hydrogen 3.148 N/A CYS 194.A N ASP 197.A OD2 no hydrogen 2.791 N/A ASP 197.A N CYS 194.A O no hydrogen 2.935 N/A SER 198.A OG HIS 46.A NE2 no hydrogen 3.057 N/A GLY 199.A N VAL 216.A O no hydrogen 2.908 N/A GLY 200.A N ASP 197.A O no hydrogen 3.150 N/A LEU 202.A N GLY 214.A O no hydrogen 2.895 N/A VAL 203.A N GLU 136.A O no hydrogen 2.893 N/A CYS 204.A N THR 211.A O no hydrogen 3.055 N/A CYS 204.A SG THR 213.A OG1 no hydrogen 3.470 N/A LEU 206.A N ARG 209.A O no hydrogen 2.892 N/A ARG 209.A N LEU 206.A O no hydrogen 3.091 N/A THR 211.A N CYS 204.A O no hydrogen 2.815 N/A THR 211.A OG1 ARG 209.A O no hydrogen 3.093 N/A LEU 212.A N ALA 121.A O no hydrogen 2.964 N/A THR 213.A N LEU 202.A O no hydrogen 2.944 N/A GLY 214.A N LEU 202.A O no hydrogen 3.087 N/A ILE 215.A N THR 232.A O no hydrogen 3.254 N/A VAL 216.A N GLY 200.A O no hydrogen 2.876 N/A SER 217.A N VAL 230.A O no hydrogen 3.063 N/A SER 217.A OG ASP 97.A OD2 no hydrogen 2.731 N/A TRP 218.A N VAL 230.A O no hydrogen 3.108 N/A ARG 220.A N TYR 173.A OH no hydrogen 2.958 N/A ALA 223.A N ASP 192.A OD2 no hydrogen 2.999 N/A LYS 227.A N LEU 224.A O no hydrogen 3.158 N/A LYS 227.A NZ TYR 172.A O no hydrogen 2.428 N/A LYS 227.A NZ HIS 171B.A O no hydrogen 3.220 N/A GLY 229.A N ALA 184.A O no hydrogen 2.997 N/A VAL 230.A N TRP 218.A O no hydrogen 2.806 N/A TYR 231.A N LEU 182.A O no hydrogen 2.812 N/A THR 232.A N ILE 215.A O no hydrogen 2.854 N/A THR 232.A OG1 ASP 97.A O no hydrogen 2.644 N/A ARG 233.A N LYS 180.A O no hydrogen 2.873 N/A ARG 233.A NE ASP 128.A OD2 no hydrogen 2.947 N/A ARG 233.A NH1 THR 179.A O no hydrogen 2.850 N/A ARG 233.A NH2 ASP 128.A OD2 no hydrogen 3.337 N/A VAL 234.A N THR 213.A O no hydrogen 3.130 N/A SER 235.A OG ASP 128.A OD1 no hydrogen 2.772 N/A SER 235.A OG ASP 128.A OD2 no hydrogen 2.941 N/A SER 235.A OG HIS 236.A ND1 no hydrogen 3.365 N/A HIS 236.A N ARG 233.A O no hydrogen 3.033 N/A PHE 237.A N VAL 234.A O no hydrogen 2.940 N/A ILE 241.A N PHE 237.A O no hydrogen 2.878 N/A ARG 242.A N LEU 238.A O no hydrogen 2.940 N/A SER 243.A N PRO 239.A O no hydrogen 3.061 N/A SER 243.A OG PRO 239.A O no hydrogen 3.297 N/A SER 243.A OG TRP 240.A O no hydrogen 3.224 N/A HIS 244.A N TRP 240.A O no hydrogen 3.148 N/A THR 245.A N ILE 241.A O no hydrogen 3.025 N/A THR 245.A OG1 ILE 241.A O no hydrogen 2.760 N/A THR 245.A OG1 ARG 242.A O no hydrogen 3.446 N/A LYS 246.A N SER 243.A O no hydrogen 3.304 N/A GLU 247.A N HIS 244.A O no hydrogen 3.199 N/A TYR 51B.A N PHE 48.A O no hydrogen 2.884 N/A GLN 188B.A N ASP 186.A OD2 no hydrogen 2.870 N/A GLY 25C.A N HIS 22.A O no hydrogen 2.770 N/A GLY 108C.A N SER 105.A O no hydrogen 2.698 N/A ARG 109D.A N SER 105.A OG no hydrogen 2.967 N/A