Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3afn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N PHE 1.A O no hydrogen 3.255 N/A GLY 6.A N GLY 30.A O no hydrogen 2.853 N/A LYS 7.A N.A LEU 4.A O no hydrogen 3.097 N/A LYS 7.A N.B LEU 4.A O no hydrogen 3.096 N/A LYS 7.A NZ.A ASP 3.A O no hydrogen 2.782 N/A ARG 8.A N ASP 86.A OD2 no hydrogen 2.891 N/A ARG 8.A NE ASP 86.A OD2 no hydrogen 2.838 N/A ARG 8.A NH2 ASP 86.A OD1 no hydrogen 2.961 N/A ARG 8.A NH2 ASP 86.A OD2 no hydrogen 3.344 N/A VAL 9.A N LYS 32.A O no hydrogen 2.826 N/A LEU 10.A N VAL 87.A O no hydrogen 2.931 N/A ILE 11.A N GLY 34.A O no hydrogen 3.040 N/A THR 12.A N ILE 89.A O no hydrogen 2.887 N/A THR 12.A OG1 ILE 89.A O no hydrogen 3.296 N/A GLY 13.A N HIS 36.A ND1 no hydrogen 2.920 N/A SER 14.A N HIS 36.A O no hydrogen 2.781 N/A SER 14.A OG ILE 11.A O no hydrogen 2.638 N/A LEU 20.A N GLN 16.A O no hydrogen 3.309 N/A ALA 21.A N GLY 17.A O no hydrogen 3.014 N/A THR 22.A N ILE 18.A O no hydrogen 2.919 N/A THR 22.A OG1 ILE 18.A O no hydrogen 2.795 N/A ALA 23.A N GLY 19.A O no hydrogen 2.889 N/A ARG 24.A N.A LEU 20.A O no hydrogen 2.912 N/A ARG 24.A N.B LEU 20.A O no hydrogen 2.917 N/A ARG 24.A NH2.B ASP 54.A OD2 no hydrogen 2.841 N/A LEU 25.A N ALA 21.A O no hydrogen 3.236 N/A PHE 26.A N THR 22.A O no hydrogen 2.968 N/A ALA 27.A N ALA 23.A O no hydrogen 3.027 N/A ARG 28.A N ARG 24.A O.A no hydrogen 3.022 N/A ARG 28.A N ARG 24.A O.B no hydrogen 3.140 N/A ALA 29.A N LEU 25.A O no hydrogen 3.138 N/A GLY 30.A N ALA 27.A O no hydrogen 2.808 N/A ALA 31.A N PHE 26.A O no hydrogen 3.002 N/A LYS 32.A N LYS 7.A O.A no hydrogen 2.818 N/A LYS 32.A N LYS 7.A O.B no hydrogen 2.811 N/A VAL 33.A N ASP 57.A O no hydrogen 2.791 N/A GLY 34.A N VAL 9.A O no hydrogen 2.749 N/A LEU 35.A N ALA 59.A O no hydrogen 2.808 N/A HIS 36.A N SER 14.A OG no hydrogen 2.923 N/A HIS 36.A NE2 ALA 63.A O no hydrogen 2.881 N/A GLY 37.A N PHE 61.A O no hydrogen 3.461 N/A ILE 44.A N PRO 41.A O no hydrogen 3.078 N/A GLU 46.A N ASN 43.A O no hydrogen 3.071 N/A THR 47.A N ASN 43.A O no hydrogen 3.187 N/A ILE 48.A N ILE 44.A O no hydrogen 2.968 N/A ALA 49.A N ASP 45.A O no hydrogen 2.957 N/A SER 50.A N GLU 46.A O no hydrogen 3.007 N/A SER 50.A OG GLU 46.A O no hydrogen 3.029 N/A MET 51.A N THR 47.A O no hydrogen 3.022 N/A ARG 52.A N ILE 48.A O no hydrogen 3.010 N/A ARG 52.A NE ASP 57.A OD1 no hydrogen 2.625 N/A ARG 52.A NH2 ASP 57.A OD1 no hydrogen 3.167 N/A ALA 53.A N ALA 49.A O no hydrogen 2.884 N/A ASP 54.A N SER 50.A O no hydrogen 3.052 N/A GLY 55.A N ARG 52.A O no hydrogen 3.069 N/A GLY 56.A N MET 51.A O no hydrogen 3.066 N/A ASP 57.A N ALA 31.A O no hydrogen 3.092 N/A ALA 58.A N ASP 57.A OD1 no hydrogen 2.815 N/A ALA 59.A N VAL 33.A O no hydrogen 3.142 N/A PHE 61.A N LEU 35.A O no hydrogen 2.863 N/A ALA 63.A N GLY 37.A O no hydrogen 2.988 N/A ALA 66.A N ASP 64.A OD1 no hydrogen 3.066 N/A SER 68.A OG.A GLU 69.A OE1 no hydrogen 3.111 N/A GLU 69.A N GLU 69.A OE1 no hydrogen 2.776 N/A CYS 71.A N THR 67.A O no hydrogen 3.224 N/A CYS 71.A SG LEU 65.A O no hydrogen 3.368 N/A CYS 71.A SG THR 67.A O no hydrogen 3.387 N/A CYS 71.A SG SER 119.A O no hydrogen 3.802 N/A CYS 71.A SG THR 123.A OG1 no hydrogen 3.201 N/A GLN 72.A N.A SER 68.A O.A no hydrogen 2.901 N/A GLN 72.A N.A SER 68.A O.B no hydrogen 2.879 N/A GLN 72.A N.B SER 68.A O.A no hydrogen 2.903 N/A GLN 72.A N.B SER 68.A O.B no hydrogen 2.882 N/A GLN 72.A NE2.B GLN 72.A O.B no hydrogen 3.150 N/A GLN 73.A N GLU 69.A O no hydrogen 2.968 N/A GLN 73.A NE2 GLU 77.A OE2 no hydrogen 3.089 N/A LEU 74.A N ALA 70.A O no hydrogen 2.917 N/A VAL 75.A N CYS 71.A O no hydrogen 3.178 N/A ASP 76.A N GLN 72.A O.A no hydrogen 2.983 N/A ASP 76.A N GLN 72.A O.B no hydrogen 2.931 N/A GLU 77.A N GLN 73.A O no hydrogen 2.892 N/A PHE 78.A N LEU 74.A O no hydrogen 2.922 N/A VAL 79.A N VAL 75.A O no hydrogen 2.941 N/A ALA 80.A N ASP 76.A O no hydrogen 2.835 N/A LYS 81.A N GLU 77.A O no hydrogen 2.998 N/A PHE 82.A N PHE 78.A O no hydrogen 2.922 N/A GLY 83.A N VAL 79.A O no hydrogen 2.734 N/A ASP 86.A N ARG 8.A O no hydrogen 2.899 N/A VAL 87.A N ARG 8.A O no hydrogen 3.086 N/A LEU 88.A N ALA 143.A O no hydrogen 2.895 N/A ILE 89.A N LEU 10.A O no hydrogen 2.783 N/A ASN 90.A N ILE 145.A O no hydrogen 2.820 N/A ASN 90.A ND2 THR 124.A OG1 no hydrogen 2.963 N/A ASN 90.A ND2 SER 146.A OG no hydrogen 3.179 N/A ASN 91.A N THR 12.A OG1 no hydrogen 2.960 N/A ASN 91.A ND2 THR 147.A OG1 no hydrogen 2.701 N/A ALA 92.A N THR 12.A OG1 no hydrogen 3.036 N/A ARG 98.A NH1 PRO 158.A O no hydrogen 2.916 N/A LYS 99.A N GLY 159.A O no hydrogen 2.974 N/A GLU 103.A N PRO 100.A O no hydrogen 2.801 N/A ILE 104.A N LEU 101.A O no hydrogen 3.030 N/A PHE 108.A N ASP 105.A OD1 no hydrogen 3.105 N/A TYR 109.A N ASP 105.A O no hydrogen 2.904 N/A ASP 110.A N ASP 106.A O no hydrogen 2.764 N/A ALA 111.A N THR 107.A O no hydrogen 2.977 N/A VAL 112.A N PHE 108.A O no hydrogen 2.958 N/A MET 113.A N TYR 109.A O no hydrogen 2.933 N/A ASP 114.A N ASP 110.A O no hydrogen 2.825 N/A ALA 115.A N ALA 111.A O no hydrogen 3.109 N/A ASN 116.A N VAL 112.A O no hydrogen 3.089 N/A ILE 117.A N MET 113.A O no hydrogen 2.897 N/A ARG 118.A N MET 113.A O no hydrogen 3.172 N/A ARG 118.A NE ASP 114.A OD1 no hydrogen 2.833 N/A ARG 118.A NH2 ASP 114.A OD1 no hydrogen 2.948 N/A SER 119.A N ASP 114.A O no hydrogen 3.133 N/A SER 119.A OG ALA 115.A O no hydrogen 2.639 N/A VAL 121.A N ILE 117.A O no hydrogen 2.930 N/A MET 122.A N ARG 118.A O no hydrogen 2.899 N/A THR 123.A N SER 119.A O no hydrogen 3.042 N/A THR 123.A OG1 SER 119.A O no hydrogen 2.784 N/A THR 124.A N VAL 120.A O no hydrogen 3.030 N/A THR 124.A OG1 VAL 120.A O no hydrogen 2.762 N/A LYS 125.A N VAL 121.A O no hydrogen 2.975 N/A PHE 126.A N MET 122.A O no hydrogen 2.972 N/A ALA 127.A N THR 123.A O no hydrogen 2.908 N/A LEU 128.A N THR 124.A O no hydrogen 2.872 N/A LEU 131.A N ALA 127.A O no hydrogen 2.945 N/A ALA 132.A N LEU 128.A O no hydrogen 2.833 N/A ALA 133.A N PRO 129.A O no hydrogen 3.003 N/A ALA 134.A N HIS 130.A O no hydrogen 3.002 N/A ALA 135.A N LEU 131.A O no hydrogen 3.094 N/A LYS 136.A N ALA 132.A O no hydrogen 2.962 N/A ALA 137.A N ALA 133.A O no hydrogen 3.012 N/A SER 138.A N ALA 134.A O no hydrogen 3.147 N/A SER 138.A OG ALA 134.A O no hydrogen 3.216 N/A SER 138.A OG ALA 135.A O no hydrogen 3.338 N/A GLY 139.A N ALA 135.A O no hydrogen 2.808 N/A GLN 140.A N SER 138.A OG no hydrogen 3.101 N/A THR 141.A N HIS 237.A ND1 no hydrogen 3.355 N/A THR 141.A OG1 HIS 237.A ND1 no hydrogen 2.800 N/A SER 142.A N GLY 185.A O no hydrogen 2.830 N/A SER 142.A OG LEU 131.A O no hydrogen 2.651 N/A ALA 143.A N ASP 86.A O no hydrogen 3.087 N/A VAL 144.A N ARG 187.A O no hydrogen 2.797 N/A ILE 145.A N LEU 88.A O no hydrogen 2.828 N/A SER 146.A N ASN 189.A O no hydrogen 3.037 N/A SER 146.A OG HIS 174.A NE2 no hydrogen 2.799 N/A THR 147.A N ASN 90.A O no hydrogen 2.973 N/A GLY 148.A N VAL 191.A O no hydrogen 2.798 N/A SER 149.A N HIS 171.A NE2 no hydrogen 3.400 N/A ILE 150.A N PRO 193.A O no hydrogen 3.047 N/A ALA 151.A N SER 149.A OG no hydrogen 2.947 N/A GLY 152.A N SER 149.A O no hydrogen 2.805 N/A HIS 153.A N ILE 150.A O no hydrogen 2.862 N/A HIS 153.A NE2 ASP 249.A OD2 no hydrogen 2.737 N/A THR 154.A N ILE 150.A O no hydrogen 3.134 N/A THR 154.A OG1 ILE 150.A O no hydrogen 3.419 N/A GLY 155.A N ALA 151.A O no hydrogen 2.842 N/A ALA 160.A N GLY 157.A O no hydrogen 2.906 N/A GLY 164.A N ALA 160.A O no hydrogen 3.032 N/A ALA 165.A N GLY 161.A O no hydrogen 3.165 N/A ALA 166.A N LEU 162.A O no hydrogen 2.813 N/A LYS 167.A N TYR 163.A O no hydrogen 3.016 N/A LYS 167.A NZ THR 147.A O no hydrogen 2.871 N/A ALA 168.A N GLY 164.A O no hydrogen 3.052 N/A PHE 169.A N ALA 165.A O no hydrogen 2.867 N/A LEU 170.A N ALA 166.A O no hydrogen 3.081 N/A HIS 171.A N LYS 167.A O no hydrogen 2.963 N/A ASN 172.A N ALA 168.A O no hydrogen 3.005 N/A VAL 173.A N PHE 169.A O no hydrogen 2.793 N/A HIS 174.A N LEU 170.A O no hydrogen 3.228 N/A HIS 174.A NE2 SER 146.A OG no hydrogen 2.799 N/A LYS 175.A N.A ASN 172.A O no hydrogen 2.903 N/A LYS 175.A N.B ASN 172.A O no hydrogen 2.912 N/A LYS 175.A NZ.B HIS 171.A O no hydrogen 3.080 N/A TRP 177.A N VAL 173.A O no hydrogen 3.041 N/A VAL 178.A N HIS 174.A O no hydrogen 2.842 N/A ASP 179.A N LYS 175.A O.A no hydrogen 3.181 N/A ASP 179.A N LYS 175.A O.B no hydrogen 3.046 N/A PHE 180.A N ASN 176.A O no hydrogen 3.172 N/A HIS 181.A N TRP 177.A O no hydrogen 2.782 N/A HIS 181.A ND1 ASP 184.A OD2 no hydrogen 2.718 N/A THR 182.A N VAL 178.A O no hydrogen 3.291 N/A THR 182.A OG1 VAL 178.A O no hydrogen 2.520 N/A ASP 184.A N HIS 181.A O no hydrogen 3.018 N/A GLY 185.A N THR 182.A O no hydrogen 2.921 N/A ARG 187.A N SER 142.A O no hydrogen 2.942 N/A ARG 187.A NE THR 141.A OG1 no hydrogen 2.834 N/A ARG 187.A NH1 PHE 234.A O no hydrogen 3.176 N/A ARG 187.A NH1 ILE 243.A O no hydrogen 3.170 N/A ARG 187.A NH2 PHE 234.A O no hydrogen 2.855 N/A PHE 188.A N THR 244.A OG1 no hydrogen 2.952 N/A ASN 189.A N VAL 144.A O no hydrogen 2.987 N/A ASN 189.A ND2 ILE 243.A O no hydrogen 2.941 N/A ILE 190.A N GLN 246.A O no hydrogen 2.821 N/A VAL 191.A N SER 146.A O no hydrogen 3.140 N/A SER 192.A N LEU 248.A O no hydrogen 2.812 N/A SER 192.A OG ASP 249.A OD1 no hydrogen 2.834 N/A GLY 194.A N ILE 250.A O no hydrogen 2.871 N/A THR 195.A OG1 GLN 254.A OE1 no hydrogen 2.916 N/A ASP 197.A N GLY 222.A O no hydrogen 2.807 N/A THR 198.A N VAL 196.A O no hydrogen 2.864 N/A PHE 200.A N THR 198.A OG1 no hydrogen 3.269 N/A HIS 201.A N THR 198.A O no hydrogen 3.112 N/A ALA 202.A N ALA 199.A O no hydrogen 3.207 N/A LYS 204.A N HIS 201.A O no hydrogen 3.037 N/A LYS 204.A NZ HIS 201.A ND1 no hydrogen 2.961 N/A THR 205.A OG1 ASP 207.A OD1 no hydrogen 2.738 N/A ARG 209.A N THR 205.A O no hydrogen 3.038 N/A ARG 209.A NH2 ASP 197.A OD1 no hydrogen 2.780 N/A ASP 210.A N.A GLN 206.A O no hydrogen 3.106 N/A ASP 210.A N.B GLN 206.A O no hydrogen 3.116 N/A ARG 211.A N ASP 207.A O no hydrogen 3.278 N/A ILE 212.A N VAL 208.A O no hydrogen 3.159 N/A SER 213.A N ARG 209.A O no hydrogen 3.033 N/A SER 213.A OG ARG 209.A O no hydrogen 3.063 N/A ASN 214.A N ASP 210.A O.A no hydrogen 3.110 N/A ASN 214.A N ASP 210.A O.B no hydrogen 3.066 N/A GLY 215.A N ILE 212.A O no hydrogen 2.909 N/A ILE 216.A N SER 213.A O no hydrogen 3.005 N/A MET 218.A N GLY 252.A O no hydrogen 3.100 N/A GLY 219.A N ILE 216.A O no hydrogen 2.683 N/A ARG 220.A NH1 PHE 221.A O no hydrogen 3.067 N/A ARG 220.A NH1 GLU 226.A OE1 no hydrogen 2.993 N/A ARG 220.A NH1 GLU 226.A OE2 no hydrogen 3.371 N/A ARG 220.A NH2 GLU 226.A OE2 no hydrogen 2.664 N/A GLY 222.A N THR 195.A O no hydrogen 2.833 N/A THR 223.A N GLU 226.A OE1 no hydrogen 2.940 N/A GLU 226.A N THR 223.A O no hydrogen 3.128 N/A GLU 226.A N THR 223.A OG1 no hydrogen 3.140 N/A MET 227.A N ALA 224.A O no hydrogen 3.090 N/A ALA 228.A N GLU 225.A O no hydrogen 3.329 N/A PHE 231.A N ALA 228.A O no hydrogen 3.039 N/A LEU 232.A N ALA 228.A O no hydrogen 3.398 N/A PHE 233.A N PRO 229.A O no hydrogen 2.905 N/A PHE 234.A N ALA 230.A O no hydrogen 2.965 N/A ALA 235.A N PHE 231.A O no hydrogen 2.975 N/A SER 236.A N LEU 232.A O no hydrogen 2.956 N/A SER 236.A N PHE 233.A O no hydrogen 3.284 N/A SER 236.A OG ASP 3.A OD1 no hydrogen 2.830 N/A SER 236.A OG ASP 3.A OD2 no hydrogen 3.395 N/A HIS 237.A ND1 THR 141.A OG1 no hydrogen 2.800 N/A LEU 238.A N ASP 3.A OD2 no hydrogen 2.988 N/A ALA 239.A N SER 236.A O no hydrogen 3.121 N/A ALA 239.A N SER 236.A OG no hydrogen 3.061 N/A SER 240.A N SER 236.A O no hydrogen 2.895 N/A SER 240.A OG PHE 233.A O no hydrogen 2.789 N/A SER 240.A OG PHE 234.A O no hydrogen 3.262 N/A SER 240.A OG SER 236.A O no hydrogen 3.090 N/A ILE 243.A N SER 240.A O no hydrogen 2.838 N/A THR 244.A OG1 PHE 188.A O no hydrogen 3.400 N/A GLY 245.A N PHE 188.A O no hydrogen 2.662 N/A GLN 246.A N ASN 189.A OD1 no hydrogen 3.020 N/A GLN 246.A NE2 THR 244.A O no hydrogen 2.844 N/A LEU 248.A N ILE 190.A O no hydrogen 2.848 N/A ILE 250.A N SER 192.A O no hydrogen 2.918 N/A ASN 251.A ND2 TYR 255.A O no hydrogen 2.887 N/A GLY 253.A N ASN 251.A OD1 no hydrogen 2.953 N/A GLN 254.A N ASN 251.A O no hydrogen 3.017 N/A LYS 256.A NZ GLY 253.A O no hydrogen 3.097 N/A