Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5dty_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A NE2 HIS 5.A O no hydrogen 3.239 N/A HIS 6.A N HIS 4.A O no hydrogen 2.793 N/A MET 10.A N ASP 8.A OD1 no hydrogen 2.961 N/A SER 12.A N ASP 8.A O no hydrogen 2.992 N/A SER 12.A OG.A HIS 4.A O no hydrogen 2.917 N/A SER 12.A OG.A ASP 8.A O no hydrogen 3.113 N/A SER 12.A OG.B HIS 4.A O no hydrogen 3.110 N/A LYS 13.A N PRO 9.A O no hydrogen 2.947 N/A LYS 13.A NZ MET 95.A O no hydrogen 2.875 N/A GLY 14.A N MET 10.A O no hydrogen 3.366 N/A GLU 15.A N VAL 11.A O no hydrogen 2.976 N/A GLU 16.A N SER 12.A O no hydrogen 3.017 N/A LEU 17.A N GLY 14.A O no hydrogen 3.156 N/A PHE 18.A N GLU 15.A O no hydrogen 2.812 N/A THR 19.A OG1 GLU 16.A O no hydrogen 2.926 N/A GLY 20.A N HIS 1.A NE2 no hydrogen 2.579 N/A VAL 22.A N GLY 45.A O no hydrogen 2.849 N/A ILE 24.A N GLY 43.A O no hydrogen 2.895 N/A LEU 25.A N LEU 126.A O no hydrogen 2.942 N/A VAL 26.A N GLY 41.A O no hydrogen 2.822 N/A GLU 27.A N ASN 128.A O no hydrogen 2.902 N/A LEU 28.A N VAL 39.A O no hydrogen 2.904 N/A ASP 29.A N ILE 130.A O no hydrogen 3.009 N/A GLY 30.A N PHE 37.A O no hydrogen 2.870 N/A ASP 31.A N LEU 132.A O no hydrogen 3.067 N/A VAL 32.A N HIS 35.A O no hydrogen 3.047 N/A ASN 33.A N GLY 134.A O no hydrogen 2.881 N/A ASN 33.A ND2 PHE 137.A O no hydrogen 2.876 N/A ASN 33.A ND2 GLU 139.A OE2 no hydrogen 3.084 N/A GLY 34.A N ASP 31.A OD1 no hydrogen 2.860 N/A HIS 35.A N VAL 32.A O no hydrogen 2.875 N/A HIS 35.A NE2 GLU 139.A OE1 no hydrogen 2.849 N/A LYS 36.A NZ ASP 31.A OD2 no hydrogen 3.082 N/A PHE 37.A N GLY 30.A O no hydrogen 3.017 N/A SER 38.A N THR 60.A OG1 no hydrogen 3.055 N/A SER 38.A OG ASP 29.A OD1.A no hydrogen 3.150 N/A VAL 39.A N LEU 28.A O no hydrogen 2.923 N/A SER 40.A N ILE 57.A O no hydrogen 2.939 N/A SER 40.A OG GLU 27.A OE1 no hydrogen 3.561 N/A SER 40.A OG GLU 27.A OE2 no hydrogen 2.998 N/A GLY 41.A N VAL 26.A O no hydrogen 2.819 N/A GLU 42.A N LYS 55.A O no hydrogen 3.058 N/A GLY 43.A N ILE 24.A O no hydrogen 3.160 N/A GLU 44.A N.A THR 53.A O no hydrogen 2.904 N/A GLU 44.A N.B THR 53.A O no hydrogen 2.927 N/A GLY 45.A N VAL 22.A O no hydrogen 2.908 N/A ASP 46.A N LYS 51.A O no hydrogen 2.845 N/A THR 48.A OG1 HIS 1.A O no hydrogen 2.971 N/A TYR 49.A N ASP 46.A O no hydrogen 3.017 N/A GLY 50.A N ALA 47.A O no hydrogen 3.133 N/A LYS 51.A N ASP 46.A O no hydrogen 3.038 N/A LEU 52.A N GLU 229.A O no hydrogen 2.823 N/A THR 53.A N GLU 44.A O.A no hydrogen 2.994 N/A THR 53.A N GLU 44.A O.B no hydrogen 2.974 N/A THR 53.A OG1 GLU 44.A O.A no hydrogen 3.533 N/A THR 53.A OG1 GLU 44.A O.B no hydrogen 3.274 N/A LEU 54.A N LEU 227.A O no hydrogen 2.908 N/A LYS 55.A N GLU 42.A O no hydrogen 2.968 N/A LYS 55.A NZ ASP 217.A OD2 no hydrogen 2.656 N/A LYS 55.A NZ GLU 220.A OE1 no hydrogen 2.865 N/A PHE 56.A N MET 225.A O no hydrogen 2.743 N/A ILE 57.A N SER 40.A O no hydrogen 2.799 N/A CYS 58.A N ASP 223.A O no hydrogen 2.983 N/A CYS 58.A SG SER 38.A O no hydrogen 3.641 N/A CYS 58.A SG THR 60.A OG1 no hydrogen 3.419 N/A CYS 58.A SG GLY 61.A O no hydrogen 3.164 N/A THR 59.A N SER 38.A O no hydrogen 3.016 N/A THR 59.A OG1 SER 38.A O no hydrogen 3.470 N/A LEU 63.A N ASP 223.A OD2 no hydrogen 2.802 N/A TRP 67.A NE1 ASP 223.A OD1 no hydrogen 2.987 N/A THR 69.A N PRO 66.A O no hydrogen 2.937 N/A THR 69.A OG1 PRO 66.A O no hydrogen 2.719 N/A THR 69.A OG1 TYR 113.A OH no hydrogen 2.841 N/A LEU 70.A N TRP 67.A O no hydrogen 2.875 N/A VAL 71.A N PRO 68.A O no hydrogen 3.311 N/A THR 72.A OG1 HIS 188.A NE2 no hydrogen 2.741 N/A LEU 74.A N LEU 70.A O no hydrogen 2.853 N/A CYS 77.A SG VAL 75.A O no hydrogen 3.959 N/A PHE 78.A N VAL 75.A O no hydrogen 3.015 N/A SER 79.A N LEU 76.A O no hydrogen 3.095 N/A SER 79.A OG LEU 76.A O no hydrogen 2.818 N/A ARG 80.A N VAL 231.A O no hydrogen 2.845 N/A TYR 81.A OH HIS 206.A NE2 no hydrogen 2.758 N/A HIS 84.A NE2 ILE 236.A O no hydrogen 2.792 N/A MET 85.A N PRO 82.A O no hydrogen 2.748 N/A LYS 86.A N ASP 83.A O no hydrogen 3.250 N/A LYS 86.A NZ GLU 15.A OE2 no hydrogen 2.725 N/A LYS 86.A NZ TYR 81.A O no hydrogen 2.798 N/A GLN 87.A N GLN 87.A OE1 no hydrogen 2.816 N/A HIS 88.A N MET 85.A O no hydrogen 2.783 N/A ASP 89.A N LYS 86.A O no hydrogen 3.371 N/A PHE 90.A N HIS 88.A O no hydrogen 3.201 N/A LYS 92.A N ASP 89.A OD1 no hydrogen 3.099 N/A LYS 92.A NZ CYS 77.A O no hydrogen 2.965 N/A LYS 92.A NZ SER 79.A O no hydrogen 2.903 N/A LYS 92.A NZ ASP 89.A OD2 no hydrogen 2.837 N/A SER 93.A N ASP 89.A O no hydrogen 3.364 N/A SER 93.A OG PHE 90.A O no hydrogen 2.744 N/A ALA 94.A N PHE 90.A O no hydrogen 3.178 N/A MET 95.A N LYS 92.A O no hydrogen 3.060 N/A GLY 98.A N ALA 94.A O no hydrogen 2.766 N/A TYR 99.A N VAL 119.A O no hydrogen 2.985 N/A VAL 100.A N THR 193.A O no hydrogen 2.820 N/A GLN 101.A N ALA 117.A O no hydrogen 2.891 N/A GLU 102.A N GLN 191.A O no hydrogen 2.934 N/A ARG 103.A N THR 115.A O no hydrogen 2.965 N/A ARG 103.A NE GLN 190.A OE1 no hydrogen 2.914 N/A ARG 103.A NH1 THR 72.A O no hydrogen 2.860 N/A ARG 103.A NH2 GLN 190.A OE1 no hydrogen 3.073 N/A THR 104.A N TYR 189.A O no hydrogen 2.993 N/A ILE 105.A N TYR 113.A O no hydrogen 2.809 N/A PHE 106.A N ASP 187.A O no hydrogen 2.883 N/A PHE 107.A N GLY 111.A O no hydrogen 2.935 N/A LYS 108.A N LEU 185.A O no hydrogen 2.931 N/A ASP 110.A N PHE 107.A O no hydrogen 2.859 N/A GLY 111.A N ASP 110.A OD1 no hydrogen 2.844 N/A ASN 112.A N ILE 135.A O no hydrogen 3.007 N/A TYR 113.A N ILE 105.A O no hydrogen 2.942 N/A TYR 113.A OH THR 69.A OG1 no hydrogen 2.841 N/A LYS 114.A N LYS 133.A O no hydrogen 2.778 N/A LYS 114.A NZ ASN 112.A OD1 no hydrogen 2.587 N/A THR 115.A N ARG 103.A O no hydrogen 2.914 N/A ARG 116.A N GLU 131.A O no hydrogen 3.009 N/A ARG 116.A NH2 GLU 118.A OE2 no hydrogen 3.220 N/A ALA 117.A N GLN 101.A O no hydrogen 2.824 N/A GLU 118.A N ARG 129.A O no hydrogen 2.954 N/A VAL 119.A N TYR 99.A O no hydrogen 2.926 N/A LYS 120.A N VAL 127.A O no hydrogen 3.022 N/A PHE 121.A N PRO 96.A O no hydrogen 3.319 N/A GLU 122.A N THR 125.A O no hydrogen 2.840 N/A THR 125.A N GLU 122.A O no hydrogen 3.085 N/A LEU 126.A N PRO 23.A O no hydrogen 2.935 N/A VAL 127.A N LYS 120.A O no hydrogen 2.843 N/A ASN 128.A N LEU 25.A O no hydrogen 2.893 N/A ASN 128.A ND2 THR 73.A O no hydrogen 3.574 N/A ASN 128.A ND2 LEU 74.A O no hydrogen 3.051 N/A ARG 129.A N GLU 118.A O no hydrogen 3.002 N/A ARG 129.A NH1 GLU 122.A OE2 no hydrogen 3.018 N/A ARG 129.A NH2 GLU 122.A OE2 no hydrogen 3.252 N/A ILE 130.A N GLU 27.A O no hydrogen 2.741 N/A GLU 131.A N ARG 116.A O no hydrogen 2.885 N/A LEU 132.A N ASP 29.A O no hydrogen 2.837 N/A LYS 133.A N LYS 114.A O no hydrogen 2.813 N/A GLY 134.A N ASP 31.A O no hydrogen 2.703 N/A ILE 135.A N ASN 112.A O no hydrogen 3.044 N/A PHE 137.A N ASN 33.A OD1 no hydrogen 3.065 N/A LYS 138.A N ASP 110.A OD1 no hydrogen 2.796 N/A LYS 138.A NZ ASP 109.A O no hydrogen 3.163 N/A GLY 141.A N LYS 138.A O no hydrogen 2.985 N/A ASN 142.A ND2 GLN 184.A OE1 no hydrogen 2.884 N/A GLY 145.A N GLY 141.A O no hydrogen 2.782 N/A HIS 146.A N ILE 143.A O no hydrogen 3.093 N/A LYS 147.A N ASN 142.A O no hydrogen 3.101 N/A LYS 147.A NZ ASP 140.A O no hydrogen 2.957 N/A GLU 149.A N ASN 177.A O no hydrogen 2.810 N/A TYR 150.A OH SER 215.A O no hydrogen 2.671 N/A ASN 151.A ND2 GLU 149.A OE1 no hydrogen 2.868 N/A TYR 152.A OH HIS 155.A NE2 no hydrogen 2.626 N/A ASN 153.A ND2 ASN 177.A OD1 no hydrogen 3.293 N/A HIS 155.A N THR 210.A O.A no hydrogen 3.111 N/A HIS 155.A N THR 210.A O.B no hydrogen 3.168 N/A HIS 155.A NE2 TYR 152.A OH no hydrogen 2.626 N/A VAL 157.A N LEU 208.A O no hydrogen 2.799 N/A ILE 159.A N HIS 206.A O no hydrogen 2.856 N/A MET 160.A N LYS 169.A O no hydrogen 2.983 N/A ASP 162.A N GLY 167.A O no hydrogen 2.770 N/A LYS 165.A N ASP 162.A O no hydrogen 2.890 N/A LYS 165.A NZ ASP 162.A OD1 no hydrogen 3.032 N/A LYS 165.A NZ ASP 162.A OD2 no hydrogen 2.836 N/A ASN 166.A N LYS 163.A O no hydrogen 3.293 N/A GLY 167.A N ASP 162.A O no hydrogen 3.306 N/A ILE 168.A N ASN 192.A O no hydrogen 3.123 N/A LYS 169.A N MET 160.A O no hydrogen 2.875 N/A SER 170.A N GLN 190.A O no hydrogen 2.987 N/A SER 170.A OG TYR 158.A O no hydrogen 2.796 N/A PHE 172.A N HIS 188.A O no hydrogen 2.954 N/A LYS 173.A NZ ASP 187.A OD2 no hydrogen 3.251 N/A ILE 174.A N ALA 186.A O no hydrogen 2.915 N/A HIS 176.A N GLN 184.A O no hydrogen 2.905 N/A ASN 177.A ND2 ASN 151.A OD1 no hydrogen 2.829 N/A ASN 177.A ND2 ASN 153.A OD1 no hydrogen 3.049 N/A ILE 178.A N SER 182.A O no hydrogen 2.899 N/A GLU 179.A N LYS 147.A O no hydrogen 2.907 N/A GLY 181.A N ILE 178.A O no hydrogen 2.890 N/A SER 182.A N ASP 180.A OD1 no hydrogen 3.002 N/A VAL 183.A N SER 182.A OG no hydrogen 2.745 N/A GLN 184.A N HIS 176.A O no hydrogen 2.776 N/A GLN 184.A NE2 LYS 108.A O no hydrogen 2.933 N/A GLN 184.A NE2 LEU 185.A O no hydrogen 3.061 N/A ALA 186.A N ILE 174.A O no hydrogen 2.762 N/A ASP 187.A N PHE 106.A O no hydrogen 2.840 N/A HIS 188.A N PHE 172.A O no hydrogen 2.789 N/A HIS 188.A ND1 ALA 186.A O no hydrogen 3.028 N/A HIS 188.A NE2 THR 72.A OG1 no hydrogen 2.741 N/A TYR 189.A N THR 104.A O no hydrogen 2.917 N/A GLN 190.A N SER 170.A O no hydrogen 2.798 N/A GLN 190.A NE2 ASN 192.A OD1 no hydrogen 2.847 N/A GLN 191.A N GLU 102.A O no hydrogen 2.975 N/A GLN 191.A NE2 GLU 102.A OE1 no hydrogen 2.864 N/A ASN 192.A N ILE 168.A O no hydrogen 2.985 N/A ASN 192.A ND2 GLN 101.A OE1 no hydrogen 2.896 N/A THR 193.A N VAL 100.A O no hydrogen 3.113 N/A ILE 195.A N GLY 98.A O no hydrogen 2.905 N/A LEU 201.A N SER 93.A OG no hydrogen 2.982 N/A ASP 204.A N HIS 88.A ND1 no hydrogen 2.917 N/A HIS 206.A N ILE 159.A O no hydrogen 3.243 N/A HIS 206.A ND1 ASP 204.A O no hydrogen 2.872 N/A HIS 206.A NE2 TYR 81.A OH no hydrogen 2.758 N/A TYR 207.A N ALA 234.A O no hydrogen 2.947 N/A LEU 208.A N VAL 157.A O no hydrogen 2.822 N/A SER 209.A N THR 232.A O no hydrogen 2.800 N/A SER 209.A OG ASN 156.A OD1 no hydrogen 3.308 N/A THR 210.A N.A HIS 155.A O no hydrogen 2.949 N/A THR 210.A N.B HIS 155.A O no hydrogen 2.909 N/A THR 210.A OG1.A PHE 230.A O no hydrogen 3.397 N/A THR 210.A OG1.B HIS 155.A O no hydrogen 3.121 N/A GLN 211.A N PHE 230.A O no hydrogen 2.962 N/A LYS 213.A N.A LEU 228.A O no hydrogen 2.844 N/A LYS 213.A N.B LEU 228.A O no hydrogen 2.828 N/A SER 215.A N VAL 226.A O no hydrogen 2.892 N/A LYS 216.A NZ HIS 224.A O no hydrogen 2.714 N/A ASP 217.A N HIS 224.A NE2 no hydrogen 2.877 N/A ASN 219.A N ASP 217.A OD1 no hydrogen 3.190 N/A GLU 220.A N ASP 217.A O no hydrogen 3.032 N/A ARG 222.A N GLU 220.A OE2 no hydrogen 2.947 N/A ARG 222.A NE GLU 220.A OE2 no hydrogen 2.820 N/A ARG 222.A NH1 GLU 220.A OE1 no hydrogen 2.880 N/A ARG 222.A NH1 GLU 220.A OE2 no hydrogen 3.541 N/A HIS 224.A ND1 ARG 222.A O no hydrogen 2.897 N/A MET 225.A N PHE 56.A O no hydrogen 2.950 N/A VAL 226.A N SER 215.A O no hydrogen 3.060 N/A LEU 227.A N LEU 54.A O no hydrogen 2.766 N/A LEU 228.A N LYS 213.A O.A no hydrogen 2.993 N/A LEU 228.A N LYS 213.A O.B no hydrogen 2.966 N/A GLU 229.A N LEU 52.A O no hydrogen 2.988 N/A PHE 230.A N GLN 211.A O no hydrogen 2.877 N/A VAL 231.A N GLY 50.A O no hydrogen 2.971 N/A THR 232.A N SER 209.A O no hydrogen 2.929 N/A ALA 233.A N ARG 80.A O no hydrogen 2.877 N/A ALA 234.A N TYR 207.A O no hydrogen 2.872 N/A LEU 243.A N GLU 242.A OE1.A no hydrogen 2.907 N/A LYS 245.A N ASP 241.A OD1 no hydrogen 2.955 N/A