Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kme_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 4.A N ASP 2.A OD1 no hydrogen 3.105 N/A LYS 5.A N ASP 2.A O no hydrogen 2.987 N/A ASN 6.A N GLN 250.A O no hydrogen 3.203 N/A THR 7.A N GLN 250.A O no hydrogen 2.871 N/A THR 7.A OG1 ASN 6.A OD1 no hydrogen 2.909 N/A CYS 8.A N GLY 59.A O no hydrogen 2.848 N/A LYS 9.A NZ GLU 251.A O no hydrogen 3.408 N/A LEU 10.A N GLN 61.A O no hydrogen 2.781 N/A LEU 11.A N LEU 117.A O no hydrogen 2.892 N/A VAL 12.A N GLN 64.A O no hydrogen 2.875 N/A VAL 13.A N HIS 119.A O no hydrogen 2.864 N/A ALA 14.A N ARG 66.A O no hydrogen 2.898 N/A ASP 15.A N PHE 121.A O no hydrogen 3.168 N/A HIS 16.A N ASN 82.A OD1 no hydrogen 3.004 N/A HIS 16.A ND1 ASN 82.A OD1 no hydrogen 2.803 N/A ARG 17.A NH1 ASP 93.A O no hydrogen 2.751 N/A ARG 17.A NH2 SER 86.A OG no hydrogen 3.282 N/A PHE 18.A N ASP 15.A OD1 no hydrogen 2.880 N/A TYR 19.A N ASP 15.A O no hydrogen 2.899 N/A ARG 20.A N HIS 16.A O no hydrogen 2.916 N/A TYR 21.A N ARG 17.A O no hydrogen 2.938 N/A MET 22.A N PHE 18.A O no hydrogen 2.814 N/A GLY 23.A N PHE 18.A O no hydrogen 2.939 N/A GLY 25.A N TYR 19.A O no hydrogen 2.995 N/A GLU 26.A N GLY 23.A O no hydrogen 2.872 N/A THR 29.A OG1 GLU 26.A OE1 no hydrogen 3.390 N/A THR 30.A N GLU 26.A O no hydrogen 3.094 N/A THR 30.A OG1 GLU 26.A O no hydrogen 2.728 N/A THR 31.A N GLU 27.A O no hydrogen 2.862 N/A THR 31.A OG1 GLU 27.A O no hydrogen 3.089 N/A THR 31.A OG1 SER 28.A O no hydrogen 3.263 N/A ASN 32.A N SER 28.A O no hydrogen 2.922 N/A ASN 32.A ND2.B GLU 36.A OE2 no hydrogen 3.182 N/A TYR 33.A N THR 29.A O no hydrogen 3.220 N/A LEU 34.A N THR 30.A O no hydrogen 3.307 N/A ILE 35.A N THR 31.A O no hydrogen 2.861 N/A GLU 36.A N ASN 32.A O no hydrogen 3.009 N/A LEU 37.A N TYR 33.A O no hydrogen 2.974 N/A ILE 38.A N LEU 34.A O no hydrogen 2.916 N/A ASP 39.A N ILE 35.A O no hydrogen 3.057 N/A ARG 40.A N GLU 36.A O no hydrogen 3.020 N/A ARG 40.A NE ASP 179.A OD1 no hydrogen 3.364 N/A ARG 40.A NE ASP 179.A OD2 no hydrogen 2.562 N/A ARG 40.A NH2 ASP 179.A OD1 no hydrogen 2.885 N/A VAL 41.A N LEU 37.A O no hydrogen 2.953 N/A ASP 42.A N ILE 38.A O no hydrogen 2.683 N/A ASP 43.A N ASP 39.A O no hydrogen 3.061 N/A TYR 45.A N VAL 41.A O no hydrogen 3.253 N/A TYR 45.A OH THR 183.A O no hydrogen 2.861 N/A ARG 46.A N ASP 42.A O no hydrogen 2.802 N/A ARG 46.A NH1 ASP 42.A OD2 no hydrogen 3.078 N/A ARG 46.A NH1 ASP 43.A OD1 no hydrogen 2.900 N/A ARG 46.A NH2 ASP 43.A OD1 no hydrogen 2.902 N/A ASN 47.A N ASP 43.A O no hydrogen 3.193 N/A ASN 47.A ND2 ASP 43.A O no hydrogen 2.883 N/A THR 48.A N TYR 45.A O no hydrogen 2.995 N/A THR 48.A OG1 ILE 44.A O no hydrogen 2.604 N/A TRP 50.A N PHE 55.A O no hydrogen 2.894 N/A ASN 52.A N ALA 49.A O no hydrogen 3.060 N/A ASN 52.A ND2 GLN 231.A OE1 no hydrogen 2.715 N/A ALA 53.A N ASP 51.A OD1 no hydrogen 2.797 N/A PHE 55.A N ASP 51.A OD1 no hydrogen 3.060 N/A LYS 56.A N GLY 54.A O no hydrogen 2.835 N/A GLY 57.A N ARG 46.A O no hydrogen 2.936 N/A GLY 59.A N ASN 6.A O no hydrogen 3.102 N/A ILE 60.A N ASP 42.A OD1 no hydrogen 2.919 N/A GLN 61.A N CYS 8.A O no hydrogen 3.199 N/A GLN 61.A NE2 SER 253.A O no hydrogen 3.176 N/A GLU 63.A N LEU 10.A O no hydrogen 2.853 N/A GLN 64.A N LEU 10.A O no hydrogen 3.435 N/A ARG 66.A N VAL 12.A O no hydrogen 2.841 N/A ARG 66.A NH1 GLU 111.A OE1 no hydrogen 2.695 N/A ARG 66.A NH2 GLU 111.A OE1 no hydrogen 3.147 N/A LEU 68.A N ALA 14.A O no hydrogen 2.901 N/A GLN 72.A N ASN 82.A O no hydrogen 2.934 N/A GLN 72.A NE2 GLU 73.A O no hydrogen 3.095 N/A LYS 75.A N GLU 78.A OE1 no hydrogen 2.924 N/A GLU 78.A N LYS 75.A O no hydrogen 2.959 N/A TYR 81.A N ASP 107.A OD2 no hydrogen 2.965 N/A ASN 82.A N HIS 80.A ND1 no hydrogen 3.021 N/A ASN 82.A ND2 SER 70.A O no hydrogen 3.060 N/A MET 83.A N HIS 80.A O no hydrogen 2.988 N/A SER 86.A OG LYS 92.A O no hydrogen 3.057 N/A SER 86.A OG ASP 93.A O no hydrogen 2.994 N/A GLU 91.A N ASN 89.A OD1 no hydrogen 3.135 N/A LYS 92.A N ASN 89.A O no hydrogen 3.120 N/A TRP 95.A N GLN 124.A OE1 no hydrogen 2.831 N/A ASP 96.A N TYR 87.A O no hydrogen 3.008 N/A LYS 98.A NZ GLU 102.A OE2 no hydrogen 2.808 N/A MET 99.A N ASP 96.A OD2 no hydrogen 2.891 N/A LEU 100.A N ASP 96.A O no hydrogen 2.982 N/A LEU 101.A N VAL 97.A O no hydrogen 3.039 N/A GLU 102.A N LYS 98.A O no hydrogen 3.046 N/A GLN 103.A N MET 99.A O no hydrogen 2.865 N/A GLN 103.A NE2 ASP 107.A OD1 no hydrogen 3.255 N/A GLN 103.A NE2 ASP 107.A OD2 no hydrogen 3.108 N/A PHE 104.A N LEU 100.A O no hydrogen 2.807 N/A SER 105.A N LEU 101.A O no hydrogen 2.980 N/A SER 105.A OG LEU 101.A O no hydrogen 2.871 N/A SER 105.A OG SER 161.A OG no hydrogen 2.738 N/A PHE 106.A N GLU 102.A O no hydrogen 2.952 N/A ASP 107.A N GLN 103.A O no hydrogen 2.908 N/A ILE 108.A N PHE 104.A O no hydrogen 2.882 N/A ALA 109.A N PHE 106.A O no hydrogen 3.402 N/A GLU 111.A N GLU 111.A OE2 no hydrogen 2.845 N/A ALA 112.A N ILE 108.A O no hydrogen 2.829 N/A SER 113.A N ALA 109.A O no hydrogen 3.053 N/A SER 113.A OG GLU 110.A O no hydrogen 2.778 N/A LYS 114.A N GLU 111.A O no hydrogen 3.072 N/A LYS 114.A NZ GLU 110.A O no hydrogen 3.310 N/A LYS 114.A NZ GLU 110.A OE1 no hydrogen 2.704 N/A VAL 115.A N ALA 112.A O no hydrogen 3.358 N/A LEU 117.A N LYS 9.A O no hydrogen 3.381 N/A ALA 118.A N ASN 160.A O no hydrogen 2.857 N/A HIS 119.A N LEU 11.A O no hydrogen 2.805 N/A HIS 119.A NE2 THR 164.A OG1 no hydrogen 2.790 N/A LEU 120.A N GLY 162.A O no hydrogen 2.861 N/A PHE 121.A N VAL 13.A O no hydrogen 2.725 N/A THR 122.A N THR 164.A O no hydrogen 2.918 N/A THR 122.A OG1 ASP 15.A OD1 no hydrogen 3.383 N/A THR 122.A OG1 ASP 15.A OD2 no hydrogen 2.586 N/A TYR 123.A N THR 122.A OG1 no hydrogen 2.782 N/A TYR 123.A OH THR 172.A OG1 no hydrogen 2.717 N/A GLN 124.A N SER 165.A OG no hydrogen 3.182 N/A GLN 124.A NE2 THR 122.A OG1 no hydrogen 2.891 N/A ASP 125.A N ASP 93.A OD2 no hydrogen 2.799 N/A PHE 126.A N GLN 124.A O no hydrogen 3.174 N/A THR 130.A N ASP 127.A O no hydrogen 3.510 N/A THR 130.A OG1 ASP 127.A O no hydrogen 3.516 N/A LEU 133.A N LEU 163.A O no hydrogen 3.173 N/A TYR 135.A N SER 161.A O no hydrogen 3.139 N/A GLY 142.A N LEU 159.A O no hydrogen 2.855 N/A VAL 143.A N ASN 189.A O no hydrogen 2.905 N/A CYS 144.A N CYS 116.A O no hydrogen 2.935 N/A CYS 144.A SG LYS 244.A O no hydrogen 3.409 N/A TYR 148.A N ILE 157.A O no hydrogen 2.852 N/A SER 150.A N LYS 155.A O no hydrogen 3.006 N/A GLY 153.A N SER 150.A OG no hydrogen 3.017 N/A LYS 154.A N SER 150.A O no hydrogen 2.708 N/A LYS 155.A NZ PHE 106.A O no hydrogen 2.890 N/A ILE 157.A N TYR 148.A O no hydrogen 2.938 N/A LEU 159.A N LYS 146.A O no hydrogen 3.033 N/A ASN 160.A ND2 ALA 112.A O no hydrogen 2.901 N/A ASN 160.A ND2 CYS 116.A O no hydrogen 3.219 N/A SER 161.A OG SER 105.A OG no hydrogen 2.738 N/A GLY 162.A N ALA 118.A O no hydrogen 3.244 N/A LEU 163.A N LEU 133.A O no hydrogen 2.810 N/A THR 164.A N LEU 120.A O no hydrogen 2.871 N/A THR 164.A OG1 HIS 119.A NE2 no hydrogen 2.790 N/A THR 164.A OG1 THR 182.A OG1 no hydrogen 2.830 N/A SER 165.A N LEU 131.A O no hydrogen 2.850 N/A SER 165.A OG GLN 124.A O no hydrogen 2.771 N/A SER 165.A OG LYS 167.A O no hydrogen 3.392 N/A THR 166.A N THR 122.A O no hydrogen 3.215 N/A LYS 167.A N SER 165.A OG no hydrogen 3.169 N/A LYS 167.A NZ ASP 93.A OD1 no hydrogen 3.098 N/A LYS 167.A NZ ASP 93.A OD2 no hydrogen 3.004 N/A ASN 168.A N LYS 171.A O no hydrogen 2.961 N/A ASN 168.A ND2 GLY 129.A O no hydrogen 3.551 N/A TYR 169.A N ASP 125.A OD1 no hydrogen 2.894 N/A GLY 170.A N ASP 125.A OD2 no hydrogen 2.752 N/A LYS 171.A N ASN 168.A O no hydrogen 3.203 N/A LYS 171.A NZ THR 172.A O no hydrogen 2.863 N/A THR 172.A OG1 TYR 123.A OH no hydrogen 2.717 N/A ILE 173.A N THR 166.A O no hydrogen 2.862 N/A LEU 174.A N GLU 177.A OE1 no hydrogen 2.829 N/A ALA 178.A N LEU 174.A O no hydrogen 2.892 N/A ASP 179.A N THR 175.A O no hydrogen 2.973 N/A VAL 181.A N GLU 177.A O no hydrogen 3.117 N/A THR 182.A N ALA 178.A O no hydrogen 3.116 N/A THR 182.A OG1 THR 164.A OG1 no hydrogen 2.830 N/A THR 182.A OG1 ALA 178.A O no hydrogen 3.568 N/A THR 183.A N ASP 179.A O no hydrogen 2.958 N/A THR 183.A OG1 ASP 179.A O no hydrogen 2.730 N/A HIS 184.A N LEU 180.A O no hydrogen 2.977 N/A HIS 184.A ND1 VAL 213.A O no hydrogen 2.782 N/A GLU 185.A N VAL 181.A O no hydrogen 2.971 N/A LEU 186.A N THR 182.A O no hydrogen 2.880 N/A GLY 187.A N THR 183.A O no hydrogen 2.839 N/A HIS 188.A N HIS 184.A O no hydrogen 3.054 N/A HIS 188.A NE2 HIS 184.A NE2 no hydrogen 3.073 N/A ASN 189.A N GLU 185.A O no hydrogen 3.123 N/A ASN 189.A ND2 TYR 135.A O no hydrogen 2.922 N/A ASN 189.A ND2 SER 161.A O no hydrogen 2.948 N/A PHE 190.A N LEU 186.A O no hydrogen 2.745 N/A GLY 191.A N HIS 188.A O no hydrogen 2.911 N/A ALA 192.A N GLY 187.A O no hydrogen 2.943 N/A ASP 195.A N MET 214.A O no hydrogen 3.089 N/A LEU 199.A N PRO 196.A O no hydrogen 3.268 N/A CYS 202.A N LEU 199.A O no hydrogen 2.931 N/A ALA 203.A N LEU 199.A O no hydrogen 2.982 N/A ALA 203.A N ALA 200.A O no hydrogen 3.292 N/A GLN 208.A N ASN 205.A O no hydrogen 2.883 N/A GLY 210.A N ASN 205.A O no hydrogen 3.025 N/A LYS 211.A NZ PRO 204.A O no hydrogen 2.814 N/A VAL 213.A N MET 228.A O no hydrogen 2.934 N/A TYR 215.A N TYR 212.A O no hydrogen 3.170 N/A TYR 215.A OH ASP 197.A OD1 no hydrogen 2.576 N/A ASP 222.A N SER 220.A O no hydrogen 2.467 N/A HIS 223.A N ASN 226.A OD1 no hydrogen 3.084 N/A ASN 225.A N GLY 209.A O no hydrogen 2.902 N/A ASN 225.A ND2 GLN 208.A O no hydrogen 3.333 N/A ASN 225.A ND2 GLY 210.A O no hydrogen 2.931 N/A ASN 226.A N HIS 223.A O no hydrogen 3.225 N/A ASN 226.A ND2 LYS 211.A O no hydrogen 2.872 N/A MET 228.A N ASN 225.A O no hydrogen 3.040 N/A SER 230.A OG ASP 195.A OD1 no hydrogen 2.635 N/A SER 230.A OG SER 233.A OG no hydrogen 3.382 N/A GLN 231.A NE2 ASN 52.A OD1 no hydrogen 2.774 N/A SER 233.A N SER 230.A OG no hydrogen 2.950 N/A SER 233.A OG SER 230.A OG no hydrogen 3.382 N/A LYS 234.A N SER 230.A O no hydrogen 2.900 N/A LYS 234.A NZ ASN 52.A OD1 no hydrogen 2.923 N/A GLN 235.A N GLN 231.A O no hydrogen 2.994 N/A SER 236.A N CYS 232.A O no hydrogen 3.190 N/A SER 236.A OG CYS 232.A O no hydrogen 3.331 N/A ILE 237.A N SER 233.A O no hydrogen 2.833 N/A TYR 238.A N LYS 234.A O no hydrogen 2.793 N/A LYS 239.A N GLN 235.A O no hydrogen 3.423 N/A THR 240.A N SER 236.A O no hydrogen 3.233 N/A THR 240.A OG1 PHE 190.A O no hydrogen 2.920 N/A THR 240.A OG1 SER 236.A O no hydrogen 3.240 N/A ILE 241.A N ILE 237.A O no hydrogen 2.865 N/A GLU 242.A N TYR 238.A O no hydrogen 3.106 N/A SER 243.A N LYS 239.A O no hydrogen 3.207 N/A LYS 244.A N THR 240.A O no hydrogen 2.739 N/A LYS 244.A NZ GLU 247.A OE1 no hydrogen 2.843 N/A ALA 245.A N ILE 241.A O no hydrogen 2.929 N/A GLN 246.A NE2 ASP 2.A OD2 no hydrogen 2.959 N/A CYS 248.A N LYS 244.A O no hydrogen 3.221 N/A PHE 249.A N ALA 245.A O no hydrogen 2.939 N/A GLN 250.A N THR 7.A O no hydrogen 2.844 N/A ARG 252.A NH1 ASP 42.A OD2 no hydrogen 2.787 N/A ARG 252.A NH2 ASP 42.A OD1 no hydrogen 2.741 N/A ARG 252.A NH2 ASP 42.A OD2 no hydrogen 3.273 N/A SER 253.A N GLN 61.A OE1 no hydrogen 2.819 N/A