Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1k3r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASN 258.A O no hydrogen 3.546 N/A MET 1.A N THR 261.A O no hydrogen 2.428 N/A MET 1.A N GLN 262.A O no hydrogen 3.025 N/A ARG 3.A NH1 ALA 210.A O no hydrogen 3.484 N/A ASP 5.A N ARG 211.A O no hydrogen 3.156 N/A SER 7.A N ALA 213.A O no hydrogen 2.893 N/A SER 7.A OG ALA 213.A O no hydrogen 3.134 N/A LEU 8.A N ARG 42.A O no hydrogen 2.939 N/A PHE 9.A N ILE 215.A O no hydrogen 2.785 N/A ILE 10.A N VAL 44.A O no hydrogen 2.772 N/A ASP 12.A N TYR 46.A O no hydrogen 2.849 N/A SER 13.A OG ASP 48.A OD1 no hydrogen 2.579 N/A SER 13.A OG TYR 221.A OH no hydrogen 3.163 N/A LEU 14.A N PRO 11.A O no hydrogen 3.043 N/A THR 15.A OG1 GLU 53.A OE1 no hydrogen 2.739 N/A ALA 16.A N SER 13.A O no hydrogen 3.163 N/A THR 18.A N THR 15.A O no hydrogen 3.296 N/A ILE 23.A N ASP 20.A OD1 no hydrogen 2.563 N/A LYS 24.A N ASP 20.A O no hydrogen 2.834 N/A LYS 24.A NZ GLU 53.A OE1 no hydrogen 3.386 N/A LYS 24.A NZ GLU 53.A OE2 no hydrogen 3.057 N/A THR 25.A N LEU 21.A O no hydrogen 2.944 N/A THR 25.A OG1 LYS 22.A O no hydrogen 3.237 N/A TYR 26.A N LYS 22.A O no hydrogen 2.981 N/A LYS 27.A N ILE 23.A O no hydrogen 2.859 N/A VAL 28.A N LYS 24.A O no hydrogen 3.312 N/A VAL 29.A N THR 25.A O no hydrogen 3.061 N/A LEU 30.A N TYR 26.A O no hydrogen 3.101 N/A LEU 30.A N LYS 27.A O no hydrogen 3.036 N/A ALA 32.A N VAL 28.A O no hydrogen 3.216 N/A ARG 33.A N VAL 29.A O no hydrogen 2.863 N/A ARG 33.A NH1 PRO 89.A O no hydrogen 2.994 N/A ALA 34.A N LEU 30.A O no hydrogen 2.774 N/A ALA 35.A N ILE 31.A O no hydrogen 2.908 N/A SER 36.A N ALA 32.A O no hydrogen 2.915 N/A SER 36.A OG ALA 32.A O no hydrogen 2.949 N/A ILE 37.A N ARG 33.A O no hydrogen 2.731 N/A PHE 38.A N ALA 34.A O no hydrogen 3.295 N/A GLY 39.A N SER 36.A O no hydrogen 3.197 N/A VAL 40.A N ALA 35.A O no hydrogen 2.781 N/A LYS 41.A N LEU 6.A O no hydrogen 3.054 N/A ARG 42.A N LEU 6.A O no hydrogen 3.379 N/A ARG 42.A NE GLU 166.A OE2 no hydrogen 3.169 N/A ARG 42.A NH1 GLU 212.A OE1 no hydrogen 3.514 N/A ARG 42.A NH2 GLU 166.A OE2 no hydrogen 3.137 N/A ILE 43.A N GLU 166.A O no hydrogen 2.951 N/A VAL 44.A N LEU 8.A O no hydrogen 2.726 N/A ILE 45.A N LEU 168.A O no hydrogen 2.978 N/A TYR 46.A N ILE 10.A O no hydrogen 2.979 N/A TYR 46.A OH PHE 217.A O no hydrogen 2.795 N/A HIS 47.A N ARG 172.A O no hydrogen 2.934 N/A ASP 48.A N ASP 12.A OD1 no hydrogen 3.003 N/A GLU 53.A N ASP 12.A O no hydrogen 3.003 N/A ILE 57.A N GLU 53.A O no hydrogen 2.858 N/A ARG 58.A N ALA 54.A O no hydrogen 2.666 N/A ARG 58.A NE ASP 169.A OD1 no hydrogen 3.400 N/A ASP 59.A N ARG 55.A O no hydrogen 2.785 N/A ILE 60.A N PHE 56.A O no hydrogen 2.975 N/A LEU 61.A N ILE 57.A O no hydrogen 3.120 N/A THR 62.A N ARG 58.A O no hydrogen 2.872 N/A THR 62.A OG1 ARG 58.A O no hydrogen 3.035 N/A TYR 63.A N ASP 59.A O no hydrogen 2.857 N/A MET 64.A N ILE 60.A O no hydrogen 2.991 N/A ASP 65.A N LEU 61.A O no hydrogen 3.098 N/A THR 66.A N THR 62.A O no hydrogen 2.857 N/A THR 66.A OG1 THR 62.A O no hydrogen 2.769 N/A TYR 69.A OH GLN 107.A O no hydrogen 2.727 N/A LEU 70.A N PRO 67.A O no hydrogen 3.116 N/A ARG 71.A NE TYR 63.A O no hydrogen 3.163 N/A ARG 71.A NE THR 66.A O no hydrogen 3.098 N/A ARG 71.A NH2 THR 66.A O no hydrogen 2.727 N/A LYS 73.A N LEU 70.A O no hydrogen 3.093 N/A LYS 73.A NZ ASP 121.A OD2 no hydrogen 3.132 N/A VAL 74.A N LEU 70.A O no hydrogen 2.835 N/A PHE 75.A N ARG 71.A O no hydrogen 2.547 N/A LEU 81.A N MET 78.A O no hydrogen 2.816 N/A LYS 82.A N ARG 79.A O no hydrogen 2.882 N/A LYS 82.A NZ ARG 79.A O no hydrogen 3.206 N/A VAL 84.A N LEU 81.A O no hydrogen 3.333 N/A ILE 86.A N HIS 83.A O no hydrogen 2.798 N/A HIS 94.A N HIS 94.A ND1 no hydrogen 3.002 N/A HIS 94.A NE2 ASP 65.A OD2 no hydrogen 2.890 N/A HIS 95.A N THR 92.A O no hydrogen 2.908 N/A HIS 95.A NE2 MET 64.A O no hydrogen 2.860 N/A VAL 101.A N GLU 104.A OE1 no hydrogen 2.846 N/A GLY 103.A N VAL 144.A O no hydrogen 3.034 N/A GLU 104.A N VAL 101.A O no hydrogen 3.246 N/A TYR 105.A OH ASP 156.A OD1 no hydrogen 2.970 N/A ARG 106.A N PHE 142.A O no hydrogen 2.851 N/A ARG 106.A NE ILE 122.A O no hydrogen 2.790 N/A ARG 106.A NH1 GLY 98.A O no hydrogen 3.324 N/A ARG 106.A NH1 GLU 104.A OE1 no hydrogen 3.260 N/A ARG 106.A NH1 GLU 104.A OE2 no hydrogen 3.034 N/A ARG 106.A NH2 ILE 122.A O no hydrogen 2.963 N/A GLY 108.A N MET 140.A O no hydrogen 2.693 N/A LEU 109.A N ASP 121.A O no hydrogen 2.951 N/A THR 110.A N ARG 138.A O no hydrogen 2.790 N/A THR 110.A OG1 THR 135.A O no hydrogen 2.804 N/A THR 110.A OG1 ARG 138.A O no hydrogen 3.494 N/A VAL 111.A N LEU 119.A O no hydrogen 2.739 N/A ARG 113.A NE LEU 134.A O no hydrogen 2.977 N/A ARG 113.A NH2 LEU 134.A O no hydrogen 2.954 N/A VAL 114.A N GLY 117.A O no hydrogen 2.656 N/A THR 118.A N LEU 129.A O no hydrogen 2.746 N/A THR 118.A OG1 GLU 132.A O no hydrogen 2.797 N/A THR 118.A OG1 LEU 134.A O no hydrogen 3.499 N/A LEU 119.A N LYS 112.A O no hydrogen 2.692 N/A VAL 120.A N LEU 127.A O no hydrogen 2.626 N/A ASP 121.A N LEU 109.A O no hydrogen 2.887 N/A GLY 123.A N ASP 121.A OD1 no hydrogen 2.920 N/A LEU 127.A N VAL 120.A O no hydrogen 2.774 N/A ALA 128.A N ILE 151.A O no hydrogen 2.948 N/A LEU 129.A N THR 118.A O no hydrogen 2.692 N/A GLU 132.A N CYS 130.A O no hydrogen 2.415 N/A LYS 133.A NZ LYS 133.A O no hydrogen 3.233 N/A LEU 134.A N THR 118.A OG1 no hydrogen 3.289 N/A LEU 134.A N GLU 132.A O no hydrogen 2.862 N/A ASN 137.A N THR 110.A O no hydrogen 2.776 N/A ARG 138.A N THR 110.A OG1 no hydrogen 2.850 N/A MET 140.A N GLY 108.A O no hydrogen 2.855 N/A PHE 142.A N ARG 106.A O no hydrogen 2.696 N/A ARG 143.A N GLU 154.A O no hydrogen 2.915 N/A VAL 144.A N GLU 104.A O no hydrogen 2.970 N/A VAL 145.A N LEU 152.A O no hydrogen 2.551 N/A ARG 146.A N LEU 152.A O no hydrogen 3.078 N/A ARG 146.A NH1 THR 102.A OG1 no hydrogen 2.711 N/A LEU 152.A N ARG 146.A O no hydrogen 2.622 N/A ILE 153.A N ALA 128.A O no hydrogen 3.264 N/A GLU 154.A N ARG 143.A O no hydrogen 3.018 N/A ASP 156.A N SER 141.A O no hydrogen 2.851 N/A ARG 161.A NE ASP 160.A OD1 no hydrogen 2.741 N/A ARG 161.A NH2 ASP 160.A OD1 no hydrogen 2.874 N/A ARG 161.A NH2 ASP 160.A OD2 no hydrogen 2.847 N/A TYR 162.A OH VAL 40.A O no hydrogen 2.818 N/A TRP 163.A NE1 SER 141.A OG no hydrogen 2.771 N/A TYR 165.A N ASP 65.A OD2 no hydrogen 3.092 N/A TYR 165.A OH LEU 61.A O no hydrogen 2.454 N/A GLU 166.A N LYS 41.A O no hydrogen 2.953 N/A LEU 168.A N ILE 43.A O no hydrogen 2.819 N/A THR 170.A OG1 ILE 45.A O no hydrogen 3.549 N/A THR 170.A OG1 ARG 172.A O no hydrogen 3.389 N/A THR 170.A OG1 SER 177.A OG no hydrogen 2.384 N/A ARG 172.A N THR 170.A OG1 no hydrogen 3.393 N/A GLU 176.A N ASN 173.A OD1 no hydrogen 3.436 N/A SER 177.A N ASN 173.A O no hydrogen 2.838 N/A SER 177.A OG THR 170.A OG1 no hydrogen 2.384 N/A SER 177.A OG ARG 172.A O no hydrogen 2.772 N/A SER 177.A OG ASN 173.A O no hydrogen 2.799 N/A LEU 178.A N LEU 174.A O no hydrogen 2.718 N/A LYS 179.A N ALA 175.A O no hydrogen 3.094 N/A THR 180.A N GLU 176.A O no hydrogen 2.926 N/A THR 180.A OG1 GLU 176.A O no hydrogen 3.320 N/A GLY 182.A N LEU 178.A O no hydrogen 2.757 N/A ASP 184.A N ASP 184.A OD2 no hydrogen 2.481 N/A VAL 186.A N ASP 230.A OD2 no hydrogen 2.522 N/A VAL 187.A N ALA 214.A O no hydrogen 2.732 N/A ALA 188.A N ILE 231.A O no hydrogen 2.916 N/A THR 189.A N LEU 216.A O no hydrogen 3.068 N/A THR 189.A OG1 LEU 216.A O no hydrogen 2.987 N/A SER 190.A N VAL 233.A O no hydrogen 2.726 N/A ASN 192.A N SER 190.A OG no hydrogen 3.102 N/A ALA 193.A N SER 190.A O no hydrogen 2.989 N/A SER 194.A OG TRP 232.A O no hydrogen 3.455 N/A ILE 196.A N ASN 234.A O no hydrogen 2.910 N/A SER 198.A N PRO 195.A O no hydrogen 3.195 N/A GLU 202.A N ILE 199.A O no hydrogen 3.166 N/A VAL 203.A N ILE 199.A O no hydrogen 3.175 N/A LYS 204.A N LEU 200.A O no hydrogen 2.869 N/A LYS 204.A NZ LEU 260.A O no hydrogen 3.567 N/A THR 205.A N ASP 201.A O no hydrogen 3.136 N/A THR 205.A OG1 ASP 201.A O no hydrogen 2.902 N/A ARG 206.A N GLU 202.A O no hydrogen 2.947 N/A ARG 206.A NE GLU 202.A OE1 no hydrogen 3.071 N/A ARG 206.A NH2 GLU 202.A OE1 no hydrogen 2.728 N/A MET 207.A N VAL 203.A O no hydrogen 3.043 N/A ARG 208.A N LYS 204.A O no hydrogen 3.280 N/A ARG 208.A NH2 LEU 260.A O no hydrogen 2.825 N/A GLY 209.A N ARG 206.A O no hydrogen 2.598 N/A ALA 210.A N MET 207.A O no hydrogen 2.954 N/A ARG 211.A N ASP 184.A OD1 no hydrogen 3.099 N/A GLU 212.A N ASP 184.A OD2 no hydrogen 2.775 N/A ALA 213.A N ASP 5.A O no hydrogen 2.843 N/A ALA 214.A N VAL 185.A O no hydrogen 2.789 N/A ILE 215.A N SER 7.A O no hydrogen 2.831 N/A LEU 216.A N VAL 187.A O no hydrogen 2.823 N/A PHE 217.A N PHE 9.A O no hydrogen 3.154 N/A TYR 221.A OH SER 13.A OG no hydrogen 3.163 N/A TYR 221.A OH GLU 17.A OE1 no hydrogen 3.260 N/A ILE 231.A N VAL 186.A O no hydrogen 3.241 N/A VAL 233.A N ALA 188.A O no hydrogen 3.064 N/A ASN 234.A N SER 194.A O no hydrogen 2.932 N/A THR 235.A OG1 THR 253.A OG1 no hydrogen 2.440 N/A LEU 236.A N ASN 234.A OD1 no hydrogen 3.162 N/A GLN 239.A NE2 THR 241.A O no hydrogen 2.786 N/A CYS 240.A SG GLY 238.A O no hydrogen 3.762 N/A THR 241.A OG1 THR 243.A O no hydrogen 2.505 N/A ARG 245.A N GLU 248.A OE2 no hydrogen 2.754 N/A THR 246.A OG1 GLY 218.A O no hydrogen 3.184 N/A GLU 247.A N GLU 247.A OE2 no hydrogen 2.484 N/A ALA 249.A N ARG 245.A O no hydrogen 2.831 N/A VAL 250.A N THR 246.A O no hydrogen 2.845 N/A LEU 251.A N GLU 247.A O no hydrogen 3.311 N/A ALA 252.A N GLU 248.A O no hydrogen 2.875 N/A THR 253.A N ALA 249.A O no hydrogen 2.940 N/A THR 253.A OG1 THR 235.A OG1 no hydrogen 2.440 N/A THR 253.A OG1 ALA 249.A O no hydrogen 2.844 N/A LEU 254.A N VAL 250.A O no hydrogen 2.871 N/A SER 255.A N LEU 251.A O no hydrogen 3.000 N/A VAL 256.A N ALA 252.A O no hydrogen 3.218 N/A PHE 257.A N THR 253.A O no hydrogen 2.972 N/A ASN 258.A N LEU 254.A O no hydrogen 2.870 N/A MET 259.A N VAL 256.A O no hydrogen 3.275 N/A LEU 260.A N PHE 257.A O no hydrogen 2.866 N/A THR 261.A N PHE 257.A O no hydrogen 3.050 N/A THR 261.A OG1 PHE 257.A O no hydrogen 3.539 N/A