Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pj2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 5.A N TYR 2.A O no hydrogen 3.167 N/A GLU 6.A N GLY 3.A O no hydrogen 3.302 N/A ILE 7.A N VAL 70.A O no hydrogen 2.805 N/A LYS 10.A N ASP 8.A OD2 no hydrogen 3.004 N/A ASP 11.A N ASP 8.A O no hydrogen 2.979 N/A LEU 12.A N PRO 9.A O no hydrogen 3.106 N/A THR 13.A N LYS 27.A O no hydrogen 2.891 N/A LEU 15.A N TYR 25.A O no hydrogen 2.876 N/A LYS 16.A N TYR 25.A O no hydrogen 3.174 N/A LEU 18.A N VAL 23.A O no hydrogen 2.781 N/A GLY 19.A N VAL 23.A O no hydrogen 3.184 N/A VAL 22.A N MET 38.A O no hydrogen 3.007 N/A VAL 23.A N GLY 19.A O no hydrogen 2.756 N/A LYS 24.A N ILE 36.A O no hydrogen 2.848 N/A TYR 25.A N LYS 16.A O no hydrogen 2.569 N/A TYR 25.A OH ASP 33.A OD1 no hydrogen 2.636 N/A GLY 26.A N VAL 34.A O no hydrogen 2.985 N/A LYS 27.A N THR 13.A O no hydrogen 2.918 N/A TRP 28.A N TYR 32.A O no hydrogen 2.862 N/A ARG 29.A N ASP 11.A O no hydrogen 2.709 N/A ARG 29.A NE ASP 11.A OD1 no hydrogen 3.265 N/A GLN 31.A N TRP 28.A O no hydrogen 3.243 N/A TYR 32.A N TRP 28.A O no hydrogen 3.288 N/A VAL 34.A N GLY 26.A O no hydrogen 2.933 N/A ALA 35.A N THR 81.A O no hydrogen 2.991 N/A ILE 36.A N LYS 24.A O no hydrogen 2.722 N/A LYS 37.A N ILE 79.A O no hydrogen 2.719 N/A MET 38.A N VAL 22.A O no hydrogen 2.604 N/A ILE 39.A N ILE 77.A O no hydrogen 3.298 N/A SER 43.A N LYS 40.A O no hydrogen 3.339 N/A SER 43.A OG LYS 40.A O no hydrogen 2.656 N/A PHE 49.A N SER 45.A O no hydrogen 3.183 N/A GLU 51.A N ASP 47.A O no hydrogen 3.043 N/A GLU 52.A N GLU 48.A O no hydrogen 3.385 N/A ALA 53.A N PHE 49.A O no hydrogen 3.159 N/A LYS 54.A N ILE 50.A O no hydrogen 3.358 N/A VAL 55.A N GLU 51.A O no hydrogen 2.942 N/A MET 56.A N GLU 52.A O no hydrogen 3.308 N/A MET 57.A N ALA 53.A O no hydrogen 2.978 N/A ASN 58.A N VAL 55.A O no hydrogen 3.268 N/A ASN 58.A ND2 LYS 54.A O no hydrogen 2.814 N/A SER 60.A N TYR 118.A OH no hydrogen 3.011 N/A SER 60.A OG GLN 66.A OE1 no hydrogen 2.645 N/A LYS 63.A N HIS 61.A ND1 no hydrogen 2.977 N/A LYS 63.A NZ ASP 111.A OD2 no hydrogen 2.735 N/A LYS 63.A NZ GLU 114.A OE2 no hydrogen 2.810 N/A LEU 64.A N HIS 61.A O no hydrogen 3.121 N/A VAL 65.A N VAL 144.A O no hydrogen 2.995 N/A GLN 66.A N GLU 82.A OE2 no hydrogen 2.775 N/A GLN 66.A NE2 LEU 67.A O no hydrogen 2.805 N/A TYR 68.A N ILE 80.A O no hydrogen 2.726 N/A GLY 69.A N ILE 80.A O no hydrogen 3.275 N/A VAL 70.A N TRP 5.A O no hydrogen 2.797 N/A CYS 71.A N PHE 78.A O no hydrogen 2.938 N/A CYS 71.A SG ILE 7.A O no hydrogen 3.304 N/A THR 72.A OG1 GLU 6.A OE1 no hydrogen 2.466 N/A PHE 78.A N CYS 71.A O no hydrogen 3.033 N/A ILE 79.A N LYS 37.A O no hydrogen 2.813 N/A ILE 80.A N GLY 69.A O no hydrogen 3.064 N/A THR 81.A N ALA 35.A O no hydrogen 2.965 N/A THR 81.A OG1 GLU 82.A O no hydrogen 3.076 N/A GLU 82.A N GLN 66.A O no hydrogen 2.916 N/A ASN 86.A N VAL 136.A O no hydrogen 2.807 N/A ASN 86.A ND2 ASN 137.A O no hydrogen 2.872 N/A GLY 87.A N MET 84.A O no hydrogen 3.082 N/A CYS 88.A SG ASN 91.A OD1 no hydrogen 3.747 N/A CYS 88.A SG ALA 131.A O no hydrogen 3.741 N/A CYS 88.A SG ARG 132.A O no hydrogen 3.435 N/A CYS 88.A SG CYS 134.A O no hydrogen 3.987 N/A LEU 89.A N CYS 134.A O no hydrogen 2.871 N/A TYR 92.A N CYS 88.A O no hydrogen 2.949 N/A LEU 93.A N LEU 89.A O no hydrogen 2.833 N/A ARG 94.A N LEU 90.A O no hydrogen 3.204 N/A ARG 94.A NE GLY 183.A O no hydrogen 2.655 N/A ARG 94.A NH2 GLY 183.A O no hydrogen 2.853 N/A GLU 95.A N ASN 91.A O no hydrogen 2.702 N/A MET 96.A N TYR 92.A O no hydrogen 2.820 N/A ARG 97.A NE LEU 93.A O no hydrogen 2.840 N/A ARG 97.A NH2 LEU 182.A O no hydrogen 2.943 N/A ARG 99.A N MET 96.A O no hydrogen 2.964 N/A GLN 101.A N GLN 104.A OE1 no hydrogen 2.919 N/A GLN 104.A N GLN 101.A O no hydrogen 2.867 N/A LEU 105.A N THR 102.A O no hydrogen 3.233 N/A MET 108.A N GLN 104.A O no hydrogen 3.028 N/A CYS 109.A N LEU 105.A O no hydrogen 3.175 N/A CYS 109.A SG LEU 105.A O no hydrogen 3.510 N/A LYS 110.A N LEU 106.A O no hydrogen 2.875 N/A LYS 110.A NZ GLU 114.A OE1 no hydrogen 2.691 N/A ASP 111.A N GLU 107.A O no hydrogen 2.907 N/A VAL 112.A N MET 108.A O no hydrogen 3.171 N/A CYS 113.A N CYS 109.A O no hydrogen 2.850 N/A CYS 113.A SG PHE 233.A O no hydrogen 3.515 N/A GLU 114.A N LYS 110.A O no hydrogen 2.838 N/A ALA 115.A N ASP 111.A O no hydrogen 3.238 N/A MET 116.A N VAL 112.A O no hydrogen 2.945 N/A GLU 117.A N CYS 113.A O no hydrogen 2.859 N/A TYR 118.A N GLU 114.A O no hydrogen 3.179 N/A LEU 119.A N ALA 115.A O no hydrogen 3.011 N/A GLU 120.A N MET 116.A O no hydrogen 2.766 N/A SER 121.A N GLU 117.A O no hydrogen 2.985 N/A SER 121.A OG TYR 118.A O no hydrogen 2.627 N/A LYS 122.A N TYR 118.A O no hydrogen 3.121 N/A LYS 122.A N LEU 119.A O no hydrogen 3.048 N/A GLN 123.A N GLU 120.A O no hydrogen 3.030 N/A PHE 124.A N LEU 119.A O no hydrogen 2.929 N/A HIS 126.A N ASP 168.A OD2 no hydrogen 2.799 N/A HIS 126.A NE2 SER 145.A O no hydrogen 2.714 N/A ARG 127.A N ASP 168.A OD1 no hydrogen 3.046 N/A ASP 128.A N HIS 126.A ND1 no hydrogen 3.140 N/A ALA 131.A N GLU 178.A OE2 no hydrogen 2.838 N/A ARG 132.A NH2 ASP 128.A OD1 no hydrogen 2.790 N/A ASN 133.A N ALA 130.A O no hydrogen 2.967 N/A ASN 133.A ND2 ASP 128.A O no hydrogen 2.717 N/A CYS 134.A N ALA 131.A O no hydrogen 3.135 N/A CYS 134.A SG ALA 130.A O no hydrogen 3.616 N/A LEU 135.A N LYS 143.A O no hydrogen 2.824 N/A VAL 136.A N GLY 87.A O no hydrogen 2.807 N/A ASN 137.A N VAL 141.A O no hydrogen 2.973 N/A GLN 139.A N ASN 137.A OD1 no hydrogen 2.974 N/A GLY 140.A N ASN 137.A O no hydrogen 2.934 N/A VAL 141.A N ASN 137.A OD1 no hydrogen 2.931 N/A VAL 142.A N ASP 111.A OD1 no hydrogen 2.993 N/A LYS 143.A N LEU 135.A O no hydrogen 2.796 N/A LYS 143.A NZ GLU 62.A O no hydrogen 2.939 N/A LYS 143.A NZ GLU 82.A OE1 no hydrogen 2.947 N/A LYS 143.A NZ GLU 82.A OE2 no hydrogen 3.536 N/A VAL 144.A N LYS 63.A O no hydrogen 2.955 N/A SER 145.A N ASN 133.A O no hydrogen 2.935 N/A SER 145.A OG ASN 133.A O no hydrogen 2.589 N/A VAL 150.A N PHE 148.A O no hydrogen 2.787 N/A ARG 151.A NE ASN 192.A OD1 no hydrogen 2.986 N/A ARG 151.A NH1 PHE 190.A O no hydrogen 2.740 N/A ARG 151.A NH2 PRO 186.A O no hydrogen 2.870 N/A ARG 151.A NH2 TYR 187.A O no hydrogen 2.883 N/A ARG 151.A NH2 PHE 190.A O no hydrogen 3.086 N/A TRP 152.A N PRO 149.A O no hydrogen 3.135 N/A TRP 152.A NE1 GLU 178.A OE2 no hydrogen 2.884 N/A SER 153.A N VAL 150.A O no hydrogen 3.012 N/A SER 153.A OG PRO 149.A O no hydrogen 2.733 N/A GLU 156.A N GLU 156.A OE1 no hydrogen 2.782 N/A VAL 157.A N PRO 154.A O no hydrogen 3.098 N/A LEU 158.A N PRO 154.A O no hydrogen 3.240 N/A MET 159.A N PRO 155.A O no hydrogen 2.892 N/A TYR 160.A N GLU 156.A O no hydrogen 3.028 N/A SER 161.A N VAL 157.A O no hydrogen 2.965 N/A LYS 162.A N GLU 156.A O no hydrogen 3.089 N/A SER 164.A N SER 167.A OG no hydrogen 2.984 N/A LYS 166.A N SER 164.A OG no hydrogen 3.087 N/A LYS 166.A NZ ARG 230.A O no hydrogen 2.856 N/A LYS 166.A NZ PRO 231.A O no hydrogen 2.993 N/A SER 167.A N SER 164.A O no hydrogen 3.043 N/A SER 167.A OG SER 164.A O no hydrogen 2.750 N/A ILE 169.A N SER 165.A O no hydrogen 3.064 N/A TRP 170.A N LYS 166.A O no hydrogen 3.167 N/A ALA 171.A N SER 167.A O no hydrogen 3.129 N/A PHE 172.A N ASP 168.A O no hydrogen 2.954 N/A GLY 173.A N ILE 169.A O no hydrogen 3.114 N/A VAL 174.A N TRP 170.A O no hydrogen 3.165 N/A LEU 175.A N ALA 171.A O no hydrogen 2.842 N/A MET 176.A N PHE 172.A O no hydrogen 2.866 N/A TRP 177.A N GLY 173.A O no hydrogen 3.100 N/A TRP 177.A NE1 TYR 206.A O no hydrogen 2.813 N/A GLU 178.A N VAL 174.A O no hydrogen 2.877 N/A ILE 179.A N LEU 175.A O no hydrogen 2.929 N/A TYR 180.A N MET 176.A O no hydrogen 2.884 N/A SER 181.A N TRP 177.A O no hydrogen 2.834 N/A SER 181.A OG TRP 177.A O no hydrogen 2.956 N/A SER 181.A OG GLU 178.A O no hydrogen 3.125 N/A LEU 182.A N ILE 179.A O no hydrogen 3.038 N/A GLY 183.A N GLU 178.A O no hydrogen 2.781 N/A LYS 184.A N SER 181.A OG no hydrogen 3.281 N/A LYS 184.A NZ GLU 188.A OE2 no hydrogen 3.280 N/A LYS 184.A NZ TYR 206.A OH no hydrogen 3.403 N/A PHE 190.A N TYR 187.A O no hydrogen 2.913 N/A THR 191.A N GLU 194.A OE2 no hydrogen 2.916 N/A GLU 194.A N THR 191.A OG1 no hydrogen 3.121 N/A THR 195.A N THR 191.A O no hydrogen 2.884 N/A THR 195.A OG1 THR 191.A O no hydrogen 2.822 N/A ALA 196.A N ASN 192.A O no hydrogen 2.976 N/A GLU 197.A N SER 193.A O no hydrogen 3.223 N/A HIS 198.A N GLU 194.A O no hydrogen 2.861 N/A ILE 199.A N THR 195.A O no hydrogen 2.830 N/A ALA 200.A N ALA 196.A O no hydrogen 3.136 N/A GLN 201.A N GLU 197.A O no hydrogen 3.172 N/A GLN 201.A N HIS 198.A O no hydrogen 3.139 N/A GLY 202.A N ILE 199.A O no hydrogen 2.968 N/A LEU 203.A N HIS 198.A O no hydrogen 2.937 N/A ARG 204.A NE TRP 223.A O no hydrogen 2.883 N/A ARG 204.A NH1 ILE 199.A O no hydrogen 3.007 N/A ARG 204.A NH1 LEU 203.A O no hydrogen 2.937 N/A ARG 204.A NH2 TRP 223.A O no hydrogen 3.017 N/A TYR 206.A OH GLU 188.A OE1 no hydrogen 2.621 N/A ARG 207.A NH1 ALA 211.A O no hydrogen 2.724 N/A ALA 211.A N PRO 208.A O no hydrogen 2.959 N/A SER 212.A OG GLU 247.A OE2 no hydrogen 2.518 N/A LYS 214.A NZ GLU 246.A OE1 no hydrogen 2.501 N/A VAL 215.A N SER 212.A OG no hydrogen 3.163 N/A TYR 216.A N SER 212.A O no hydrogen 2.869 N/A TYR 216.A OH LEU 205.A O no hydrogen 2.615 N/A THR 217.A N GLU 213.A O no hydrogen 2.933 N/A THR 217.A OG1 GLU 213.A O no hydrogen 2.903 N/A ILE 218.A N LYS 214.A O no hydrogen 3.296 N/A MET 219.A N VAL 215.A O no hydrogen 3.194 N/A TYR 220.A N TYR 216.A O no hydrogen 2.776 N/A SER 221.A N THR 217.A O no hydrogen 3.007 N/A SER 221.A OG ILE 218.A O no hydrogen 2.648 N/A CYS 222.A N MET 219.A O no hydrogen 3.030 N/A CYS 222.A SG ILE 218.A O no hydrogen 3.669 N/A TRP 223.A N TYR 220.A O no hydrogen 3.011 N/A LYS 226.A N HIS 224.A ND1 no hydrogen 3.158 N/A GLU 229.A N LYS 226.A O no hydrogen 2.980 N/A ARG 230.A N ALA 227.A O no hydrogen 3.077 N/A ARG 230.A NE HIS 224.A O no hydrogen 2.748 N/A ARG 230.A NH1 GLU 156.A OE2 no hydrogen 2.768 N/A ARG 230.A NH1 LYS 166.A O no hydrogen 3.012 N/A ARG 230.A NH2 GLU 156.A OE1 no hydrogen 2.933 N/A ARG 230.A NH2 GLU 156.A OE2 no hydrogen 3.508 N/A ARG 230.A NH2 HIS 224.A O no hydrogen 2.995 N/A ARG 230.A NH2 GLU 225.A O no hydrogen 3.418 N/A PHE 233.A N GLU 120.A OE2 no hydrogen 2.781 N/A ILE 235.A N THR 232.A OG1 no hydrogen 3.164 N/A LEU 236.A N THR 232.A O no hydrogen 2.955 N/A LEU 237.A N PHE 233.A O no hydrogen 2.900 N/A SER 238.A N LYS 234.A O no hydrogen 3.140 N/A SER 238.A OG ILE 235.A O no hydrogen 2.646 N/A ASN 239.A N ILE 235.A O no hydrogen 2.930 N/A ILE 240.A N LEU 236.A O no hydrogen 2.841 N/A LEU 241.A N LEU 237.A O no hydrogen 2.981 N/A ASP 242.A N SER 238.A O no hydrogen 2.983 N/A VAL 243.A N ASN 239.A O no hydrogen 3.019 N/A MET 244.A N ILE 240.A O no hydrogen 2.894 N/A ASP 245.A N LEU 241.A O no hydrogen 2.992 N/A GLU 246.A N ASP 242.A O no hydrogen 3.101 N/A GLU 247.A N VAL 243.A O no hydrogen 2.812 N/A