Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xg2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 2.A N ILE 65.A O no hydrogen 2.744 N/A ASP 3.A N TYR 21.A OH no hydrogen 2.934 N/A ARG 4.A NE GLU 69.A OE1 no hydrogen 3.307 N/A ARG 4.A NH1 ARG 4.A O no hydrogen 2.723 N/A ARG 4.A NH1 LEU 7.A O no hydrogen 2.777 N/A LYS 5.A N ASP 3.A OD1 no hydrogen 3.051 N/A LEU 6.A N ASP 3.A O no hydrogen 2.971 N/A LEU 7.A N ARG 4.A O no hydrogen 3.203 N/A THR 8.A N TYR 20.A O no hydrogen 2.881 N/A GLU 10.A N LYS 18.A O no hydrogen 2.987 N/A LEU 12.A N VAL 16.A O no hydrogen 2.857 N/A THR 15.A OG1 ILE 34.A O no hydrogen 3.201 N/A VAL 16.A N GLU 11.A OE2 no hydrogen 2.865 N/A LYS 17.A N VAL 32.A O no hydrogen 3.001 N/A LYS 18.A NZ GLU 79.A OE2 no hydrogen 3.522 N/A GLY 19.A N VAL 30.A O no hydrogen 2.749 N/A TYR 20.A N THR 8.A O no hydrogen 2.827 N/A TYR 21.A N LYS 28.A O no hydrogen 2.795 N/A GLN 22.A N LEU 6.A O no hydrogen 2.962 N/A MET 23.A N VAL 26.A O no hydrogen 2.872 N/A LYS 28.A N TYR 21.A O no hydrogen 2.946 N/A VAL 30.A N GLY 19.A O no hydrogen 2.824 N/A ALA 31.A N MET 75.A O no hydrogen 2.888 N/A VAL 32.A N LYS 17.A O no hydrogen 2.886 N/A LYS 33.A N LEU 73.A O no hydrogen 2.957 N/A LYS 33.A NZ GLU 47.A OE1 no hydrogen 2.790 N/A ILE 34.A N THR 15.A O no hydrogen 2.559 N/A LEU 35.A N TRP 71.A O no hydrogen 2.859 N/A LEU 44.A N LEU 40.A O no hydrogen 3.214 N/A LEU 45.A N LYS 41.A O no hydrogen 2.992 N/A ALA 46.A N ASP 42.A O no hydrogen 2.800 N/A GLU 47.A N GLU 43.A O no hydrogen 2.933 N/A ALA 48.A N LEU 44.A O no hydrogen 2.853 N/A ASN 49.A N LEU 45.A O no hydrogen 2.744 N/A VAL 50.A N ALA 46.A O no hydrogen 2.951 N/A MET 51.A N GLU 47.A O no hydrogen 2.987 N/A GLN 52.A N ALA 48.A O no hydrogen 2.919 N/A GLN 53.A N VAL 50.A O no hydrogen 3.028 N/A GLN 53.A NE2 ASN 49.A O no hydrogen 3.276 N/A GLN 53.A NE2 ASN 49.A OD1 no hydrogen 3.450 N/A LEU 54.A N MET 51.A O no hydrogen 3.034 N/A ASP 55.A N TYR 111.A OH no hydrogen 3.005 N/A TYR 58.A N ASN 56.A OD1 no hydrogen 2.799 N/A ILE 59.A N ASN 56.A O no hydrogen 3.220 N/A VAL 60.A N ILE 137.A O no hydrogen 2.953 N/A ARG 61.A N GLU 76.A OE2 no hydrogen 2.688 N/A ILE 63.A N VAL 74.A O no hydrogen 2.674 N/A GLY 64.A N VAL 74.A O no hydrogen 3.226 N/A CYS 66.A N MET 72.A O no hydrogen 2.957 N/A CYS 66.A SG LEU 2.A O no hydrogen 3.679 N/A ALA 68.A N SER 70.A O no hydrogen 3.208 N/A GLU 69.A N GLU 69.A OE1 no hydrogen 2.586 N/A SER 70.A OG LEU 35.A O no hydrogen 2.262 N/A SER 70.A OG TRP 71.A O no hydrogen 3.218 N/A MET 72.A N CYS 66.A O no hydrogen 3.015 N/A LEU 73.A N LYS 33.A O no hydrogen 2.866 N/A VAL 74.A N GLY 64.A O no hydrogen 2.878 N/A MET 75.A N ALA 31.A O no hydrogen 2.973 N/A GLU 76.A N ARG 61.A O no hydrogen 3.069 N/A LEU 80.A N LEU 129.A O no hydrogen 3.113 N/A GLY 81.A N ALA 78.A O no hydrogen 3.297 N/A LEU 83.A N VAL 127.A O no hydrogen 2.636 N/A TYR 86.A N PRO 82.A O no hydrogen 3.075 N/A LEU 87.A N LEU 83.A O no hydrogen 3.153 N/A GLN 88.A N ASN 84.A O no hydrogen 2.961 N/A GLN 88.A NE2 GLY 192.A O no hydrogen 2.738 N/A GLN 89.A N LYS 85.A O no hydrogen 3.288 N/A GLN 89.A N TYR 86.A O no hydrogen 3.305 N/A ASN 90.A N LEU 87.A O no hydrogen 3.225 N/A ASN 90.A ND2 TYR 86.A O no hydrogen 2.734 N/A VAL 93.A N ASN 90.A O no hydrogen 3.074 N/A LYS 96.A N ASP 95.A OD1 no hydrogen 2.883 N/A ASN 97.A ND2 GLU 100.A OE1 no hydrogen 3.241 N/A ASN 97.A ND2 GLN 132.A O no hydrogen 3.007 N/A ILE 98.A N LYS 94.A O no hydrogen 3.070 N/A ILE 99.A N ASP 95.A O no hydrogen 2.857 N/A GLU 100.A N LYS 96.A O no hydrogen 3.073 N/A LEU 101.A N ASN 97.A O no hydrogen 2.949 N/A VAL 102.A N ILE 98.A O no hydrogen 2.868 N/A HIS 103.A N ILE 99.A O no hydrogen 2.873 N/A HIS 103.A NE2 GLU 246.A OE2 no hydrogen 2.723 N/A GLN 104.A N GLU 100.A O no hydrogen 3.069 N/A GLN 104.A NE2 HIS 133.A O no hydrogen 2.797 N/A VAL 105.A N LEU 101.A O no hydrogen 3.034 N/A SER 106.A N VAL 102.A O no hydrogen 2.912 N/A SER 106.A OG HIS 103.A O no hydrogen 2.483 N/A MET 107.A N HIS 103.A O no hydrogen 2.958 N/A GLY 108.A N GLN 104.A O no hydrogen 3.112 N/A MET 109.A N VAL 105.A O no hydrogen 2.980 N/A LYS 110.A N SER 106.A O no hydrogen 2.837 N/A LYS 110.A NZ GLU 114.A OE1 no hydrogen 2.879 N/A TYR 111.A N MET 107.A O no hydrogen 2.969 N/A LEU 112.A N GLY 108.A O no hydrogen 2.919 N/A GLU 113.A N MET 109.A O no hydrogen 2.727 N/A GLU 114.A N LYS 110.A O no hydrogen 2.976 N/A SER 115.A N TYR 111.A O no hydrogen 2.852 N/A SER 115.A OG TYR 111.A O no hydrogen 2.882 N/A ASN 116.A N GLU 113.A O no hydrogen 3.161 N/A PHE 117.A N LEU 112.A O no hydrogen 2.991 N/A VAL 118.A N LYS 144.A O no hydrogen 2.857 N/A HIS 119.A N ASP 177.A OD2 no hydrogen 2.815 N/A HIS 119.A NE2 SER 138.A O no hydrogen 2.909 N/A ARG 120.A N ASP 177.A OD1 no hydrogen 2.987 N/A ARG 120.A NH1 LEU 142.A O no hydrogen 2.669 N/A ASP 121.A N HIS 119.A ND1 no hydrogen 3.166 N/A ALA 124.A N GLU 187.A OE1 no hydrogen 3.009 N/A ASN 126.A N ALA 123.A O no hydrogen 3.077 N/A ASN 126.A ND2 ASP 121.A O no hydrogen 2.819 N/A VAL 127.A N ALA 124.A O no hydrogen 3.127 N/A LEU 128.A N LYS 136.A O no hydrogen 2.723 N/A LEU 129.A N GLY 81.A O no hydrogen 3.050 N/A VAL 130.A N TYR 134.A O no hydrogen 2.671 N/A THR 131.A N TYR 134.A O no hydrogen 3.371 N/A GLN 132.A NE2 ASN 97.A OD1 no hydrogen 3.251 N/A HIS 133.A N THR 131.A OG1 no hydrogen 2.971 N/A HIS 133.A ND1 GLU 100.A OE1 no hydrogen 2.779 N/A TYR 134.A N THR 131.A O no hydrogen 3.148 N/A TYR 134.A OH PRO 57.A O no hydrogen 2.681 N/A ALA 135.A N GLN 104.A OE1 no hydrogen 2.677 N/A LYS 136.A N LEU 128.A O no hydrogen 2.713 N/A LYS 136.A NZ PRO 57.A O no hydrogen 3.314 N/A LYS 136.A NZ GLU 76.A OE1 no hydrogen 3.468 N/A LYS 136.A NZ GLU 76.A OE2 no hydrogen 2.804 N/A LYS 136.A NZ TYR 134.A OH no hydrogen 3.536 N/A ILE 137.A N TYR 58.A O no hydrogen 2.919 N/A SER 138.A N ASN 126.A O no hydrogen 2.883 N/A SER 138.A OG ASN 126.A O no hydrogen 3.011 N/A SER 138.A OG ASP 139.A OD2 no hydrogen 3.271 N/A SER 143.A N PHE 140.A O no hydrogen 2.983 N/A SER 143.A OG HIS 119.A O no hydrogen 3.188 N/A SER 143.A OG PHE 140.A O no hydrogen 3.327 N/A LYS 144.A N VAL 118.A O no hydrogen 2.891 N/A LEU 146.A N ASN 116.A O no hydrogen 2.833 N/A ARG 147.A N GLU 150.A OE2 no hydrogen 3.071 N/A ARG 147.A NE ASP 149.A OD1 no hydrogen 3.038 N/A ARG 147.A NH1 ASP 149.A OD1 no hydrogen 3.271 N/A ARG 147.A NH1 ASP 149.A OD2 no hydrogen 2.711 N/A GLU 150.A N ARG 147.A O no hydrogen 3.249 N/A TYR 153.A N PHE 172.A O no hydrogen 2.681 N/A ALA 155.A N TYR 170.A O no hydrogen 3.179 N/A VAL 159.A N TRP 157.A O no hydrogen 2.782 N/A LYS 160.A NZ TYR 196.A O no hydrogen 3.232 N/A LYS 160.A NZ MET 199.A O no hydrogen 2.905 N/A TRP 161.A N PRO 158.A O no hydrogen 2.834 N/A TRP 161.A NE1 GLU 187.A OE1 no hydrogen 2.980 N/A TYR 162.A N VAL 159.A O no hydrogen 2.989 N/A TYR 162.A OH ARG 120.A O no hydrogen 2.735 N/A GLU 165.A N GLU 165.A OE1 no hydrogen 2.725 N/A CYS 166.A N ALA 163.A O no hydrogen 3.043 N/A CYS 166.A SG LYS 171.A O no hydrogen 3.564 N/A ILE 167.A N ALA 163.A O no hydrogen 3.329 N/A ASN 168.A N PRO 164.A O no hydrogen 2.691 N/A TYR 169.A N GLU 165.A O no hydrogen 2.840 N/A TYR 170.A N CYS 166.A O no hydrogen 2.956 N/A LYS 171.A N GLU 165.A O no hydrogen 3.314 N/A PHE 172.A N TYR 153.A O no hydrogen 2.806 N/A SER 173.A N SER 176.A OG no hydrogen 2.976 N/A SER 173.A OG SER 176.A OG no hydrogen 3.321 N/A LYS 175.A NZ VAL 236.A O no hydrogen 3.223 N/A LYS 175.A NZ ARG 239.A O no hydrogen 2.686 N/A SER 176.A N SER 173.A OG no hydrogen 3.330 N/A SER 176.A OG GLU 165.A OE2 no hydrogen 3.095 N/A SER 176.A OG LYS 171.A O no hydrogen 3.342 N/A SER 176.A OG SER 173.A OG no hydrogen 3.321 N/A ASP 177.A N SER 173.A O no hydrogen 2.964 N/A VAL 178.A N SER 174.A O no hydrogen 2.826 N/A TRP 179.A N LYS 175.A O no hydrogen 3.079 N/A SER 180.A N SER 176.A O no hydrogen 3.253 N/A SER 180.A OG TRP 161.A O no hydrogen 2.657 N/A SER 180.A OG SER 176.A O no hydrogen 3.267 N/A PHE 181.A N ASP 177.A O no hydrogen 2.897 N/A GLY 182.A N VAL 178.A O no hydrogen 3.045 N/A VAL 183.A N TRP 179.A O no hydrogen 3.257 N/A LEU 184.A N SER 180.A O no hydrogen 2.796 N/A MET 185.A N PHE 181.A O no hydrogen 2.756 N/A TRP 186.A N GLY 182.A O no hydrogen 3.085 N/A TRP 186.A NE1 GLY 215.A O no hydrogen 3.060 N/A GLU 187.A N VAL 183.A O no hydrogen 2.881 N/A ALA 188.A N LEU 184.A O no hydrogen 2.879 N/A PHE 189.A N MET 185.A O no hydrogen 2.948 N/A SER 190.A N TRP 186.A O no hydrogen 2.903 N/A SER 190.A OG TRP 186.A O no hydrogen 2.648 N/A TYR 191.A N ALA 188.A O no hydrogen 3.004 N/A TYR 191.A OH VAL 93.A O no hydrogen 2.649 N/A GLY 192.A N GLU 187.A O no hydrogen 2.923 N/A GLN 193.A N SER 190.A O no hydrogen 3.242 N/A MET 199.A N TYR 196.A O no hydrogen 3.148 N/A LYS 200.A N GLU 203.A OE1 no hydrogen 2.934 N/A VAL 204.A N LYS 200.A O no hydrogen 2.989 N/A THR 205.A N GLY 201.A O no hydrogen 2.915 N/A THR 205.A OG1 GLY 201.A O no hydrogen 3.308 N/A ALA 206.A N SER 202.A O no hydrogen 3.190 N/A MET 207.A N GLU 203.A O no hydrogen 2.882 N/A LEU 208.A N VAL 204.A O no hydrogen 2.986 N/A GLU 209.A N THR 205.A O no hydrogen 2.958 N/A LYS 210.A N ALA 206.A O no hydrogen 3.201 N/A LYS 210.A NZ ALA 206.A O no hydrogen 3.532 N/A GLY 211.A N LEU 208.A O no hydrogen 2.914 N/A GLU 212.A N MET 207.A O no hydrogen 3.127 N/A ARG 213.A NE TRP 232.A O no hydrogen 3.112 N/A ARG 213.A NH1 LEU 208.A O no hydrogen 3.039 N/A ARG 213.A NH1 GLU 212.A O no hydrogen 2.936 N/A ARG 213.A NH2 TRP 232.A O no hydrogen 3.019 N/A CYS 216.A SG PRO 217.A O no hydrogen 3.763 N/A CYS 216.A SG CYS 220.A O no hydrogen 3.702 N/A CYS 220.A N PRO 217.A O no hydrogen 2.973 N/A CYS 220.A SG PRO 221.A O no hydrogen 3.474 N/A GLU 223.A N GLU 223.A OE1 no hydrogen 2.802 N/A MET 224.A N PRO 221.A O no hydrogen 2.926 N/A TYR 225.A N PRO 221.A O no hydrogen 3.209 N/A TYR 225.A OH MET 214.A O no hydrogen 2.650 N/A ASP 226.A N ARG 222.A O no hydrogen 2.972 N/A LEU 227.A N GLU 223.A O no hydrogen 3.212 N/A MET 228.A N MET 224.A O no hydrogen 3.017 N/A ASN 229.A N TYR 225.A O no hydrogen 3.038 N/A LEU 230.A N ASP 226.A O no hydrogen 2.990 N/A CYS 231.A N LEU 227.A O no hydrogen 2.878 N/A CYS 231.A SG LEU 227.A O no hydrogen 3.398 N/A TRP 232.A N MET 228.A O no hydrogen 2.940 N/A THR 233.A N LEU 230.A O no hydrogen 3.275 N/A THR 233.A OG1 LEU 230.A O no hydrogen 2.630 N/A ASN 238.A N ASP 235.A O no hydrogen 3.117 N/A ASN 238.A N ASP 235.A OD2 no hydrogen 3.078 N/A ARG 239.A N VAL 236.A O no hydrogen 3.277 N/A ARG 239.A NE THR 233.A O no hydrogen 2.787 N/A ARG 239.A NH1 GLU 165.A OE2 no hydrogen 2.871 N/A ARG 239.A NH1 LYS 175.A O no hydrogen 2.945 N/A ARG 239.A NH2 GLU 165.A OE1 no hydrogen 3.027 N/A ARG 239.A NH2 THR 233.A O no hydrogen 3.023 N/A ARG 239.A NH2 TYR 234.A O no hydrogen 3.017 N/A PHE 242.A N GLU 113.A OE2 no hydrogen 3.163 N/A ALA 243.A N GLU 113.A OE1 no hydrogen 3.349 N/A VAL 245.A N GLY 241.A O no hydrogen 2.958 N/A GLU 246.A N PHE 242.A O no hydrogen 2.740 N/A LEU 247.A N ALA 243.A O no hydrogen 3.053 N/A ARG 248.A N ALA 244.A O no hydrogen 3.133 N/A ARG 248.A NH1 ALA 244.A O no hydrogen 3.561 N/A LEU 249.A N VAL 245.A O no hydrogen 3.040 N/A ARG 250.A N GLU 246.A O no hydrogen 2.863 N/A ARG 250.A NE GLU 246.A OE2 no hydrogen 3.038 N/A ARG 250.A NH2 GLU 246.A OE1 no hydrogen 2.857 N/A ARG 250.A NH2 GLU 246.A OE2 no hydrogen 3.284 N/A ASN 251.A N LEU 247.A O no hydrogen 3.078 N/A TYR 252.A N ARG 248.A O no hydrogen 3.132 N/A TYR 252.A OH GLU 223.A OE1 no hydrogen 3.335 N/A TYR 253.A N LEU 249.A O no hydrogen 2.858 N/A TYR 254.A N ARG 250.A O no hydrogen 3.083 N/A ASP 255.A N ASN 251.A O no hydrogen 3.071 N/A VAL 256.A N TYR 252.A O no hydrogen 2.862 N/A VAL 257.A N TYR 253.A O no hydrogen 2.827 N/A ASN 258.A N TYR 254.A O no hydrogen 3.257 N/A