Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4au1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 7.A N GLU 5.A OE2 no hydrogen 3.062 N/A LYS 10.A N ASP 7.A OD1 no hydrogen 3.196 N/A LYS 10.A NZ GLU 5.A OE1 no hydrogen 3.318 N/A ILE 11.A N ASP 7.A O no hydrogen 2.900 N/A TYR 12.A N GLY 8.A O no hydrogen 3.061 N/A VAL 13.A N ALA 9.A O no hydrogen 3.179 N/A GLN 14.A N LYS 10.A O no hydrogen 2.911 N/A SER 15.A N ILE 11.A O no hydrogen 2.822 N/A SER 15.A OG HIS 41.A ND1 no hydrogen 2.773 N/A PHE 16.A N TYR 12.A O no hydrogen 2.964 N/A ALA 17.A N VAL 13.A O no hydrogen 2.975 N/A THR 18.A N GLN 14.A O no hydrogen 2.952 N/A THR 18.A OG1 GLN 14.A O no hydrogen 2.896 N/A ILE 19.A N SER 15.A O no hydrogen 2.984 N/A ARG 20.A N PHE 16.A O no hydrogen 2.981 N/A ARG 20.A NE GLU 33.A OE2 no hydrogen 2.733 N/A ARG 20.A NH1 GLU 208.A OE1 no hydrogen 2.903 N/A ARG 20.A NH1 GLU 208.A OE2 no hydrogen 3.293 N/A ARG 20.A NH2 GLU 33.A OE1 no hydrogen 2.940 N/A ARG 20.A NH2 GLU 208.A OE2 no hydrogen 2.725 N/A ALA 21.A N ALA 17.A O no hydrogen 2.959 N/A GLU 22.A N THR 18.A O no hydrogen 3.163 N/A GLU 22.A N ILE 19.A O no hydrogen 3.179 N/A ALA 23.A N ILE 19.A O no hydrogen 2.839 N/A ASP 24.A N GLU 49.A OE2 no hydrogen 2.938 N/A ARG 27.A NH2 GLU 49.A O no hydrogen 2.825 N/A ARG 27.A NH2 VAL 52.A O no hydrogen 3.009 N/A PHE 28.A N LEU 25.A O no hydrogen 3.143 N/A THR 29.A N GLU 32.A OE1 no hydrogen 2.987 N/A GLU 32.A N THR 29.A OG1 no hydrogen 3.224 N/A GLU 33.A N THR 29.A O no hydrogen 2.790 N/A VAL 34.A N PRO 30.A O no hydrogen 3.467 N/A VAL 36.A N GLU 32.A O no hydrogen 2.982 N/A VAL 37.A N GLU 33.A O no hydrogen 2.906 N/A ARG 38.A N VAL 34.A O no hydrogen 3.175 N/A ARG 38.A NH1 GLU 208.A OXT no hydrogen 2.882 N/A MET 39.A N VAL 35.A O no hydrogen 2.974 N/A ILE 40.A N VAL 36.A O no hydrogen 2.916 N/A HIS 41.A N VAL 37.A O no hydrogen 2.969 N/A HIS 41.A ND1 SER 15.A OG no hydrogen 2.773 N/A ALA 42.A N ARG 38.A O no hydrogen 2.937 N/A ALA 43.A N MET 39.A O no hydrogen 3.068 N/A GLY 44.A N ILE 40.A O no hydrogen 2.846 N/A GLY 44.A N HIS 41.A O no hydrogen 3.408 N/A MET 45.A N ILE 40.A O no hydrogen 3.405 N/A GLY 47.A N GLU 49.A OE1 no hydrogen 2.737 N/A LEU 48.A N MET 45.A O no hydrogen 3.137 N/A GLU 49.A N GLU 49.A OE1 no hydrogen 2.697 N/A ASN 50.A N GLY 47.A O no hydrogen 3.008 N/A HIS 51.A N LEU 48.A O no hydrogen 2.906 N/A VAL 52.A N GLU 49.A O no hydrogen 3.341 N/A ARG 53.A N ILE 185.A O no hydrogen 3.001 N/A ALA 55.A N TRP 183.A O no hydrogen 2.837 N/A MET 58.A N ALA 55.A O no hydrogen 3.044 N/A ALA 61.A N GLY 57.A O no hydrogen 2.916 N/A ALA 62.A N MET 58.A O no hydrogen 2.810 N/A ARG 63.A N ALA 59.A O no hydrogen 3.120 N/A ARG 63.A NH1 ALA 202.A O no hydrogen 3.408 N/A ARG 63.A NH2 ALA 202.A O no hydrogen 2.792 N/A ALA 64.A N ILE 60.A O no hydrogen 3.052 N/A ALA 65.A N ALA 61.A O no hydrogen 2.968 N/A LEU 66.A N ALA 62.A O no hydrogen 3.021 N/A GLU 67.A N ARG 63.A O no hydrogen 2.882 N/A ALA 68.A N ALA 64.A O no hydrogen 3.035 N/A ALA 68.A N ALA 65.A O no hydrogen 3.131 N/A GLY 69.A N LEU 66.A O no hydrogen 3.014 N/A ALA 70.A N ALA 65.A O no hydrogen 2.975 N/A ILE 72.A N GLU 93.A O no hydrogen 2.903 N/A LEU 73.A N VAL 130.A O no hydrogen 2.931 N/A CYS 74.A N ILE 95.A O no hydrogen 2.809 N/A CYS 74.A SG ILE 72.A O no hydrogen 3.897 N/A ASP 75.A N ALA 132.A O no hydrogen 3.222 N/A VAL 79.A N ALA 76.A O no hydrogen 3.046 N/A SER 80.A N ALA 76.A O no hydrogen 3.142 N/A SER 80.A OG ARG 77.A O no hydrogen 3.352 N/A GLU 81.A N ARG 77.A O no hydrogen 2.808 N/A GLY 82.A N VAL 79.A O no hydrogen 3.085 N/A THR 84.A OG1 ASN 201.A OD1 no hydrogen 3.206 N/A ARG 85.A NH1 SER 80.A O no hydrogen 2.730 N/A ARG 85.A NH1 ILE 83.A O no hydrogen 2.778 N/A ARG 85.A NH2 SER 80.A O no hydrogen 3.249 N/A ARG 87.A N THR 84.A O no hydrogen 3.045 N/A ARG 87.A NE ASN 201.A O no hydrogen 2.887 N/A ARG 87.A NH1 LYS 207.A O no hydrogen 2.929 N/A ARG 87.A NH2 ASN 201.A O no hydrogen 3.045 N/A ARG 87.A NH2 LYS 207.A O no hydrogen 2.815 N/A LEU 88.A N ARG 85.A O no hydrogen 3.018 N/A ILE 95.A N ILE 72.A O no hydrogen 2.855 N/A CYS 96.A SG CYS 74.A O no hydrogen 3.640 N/A CYS 96.A SG GLN 99.A OE1 no hydrogen 4.050 N/A THR 97.A OG1 ALA 118.A O no hydrogen 2.806 N/A ASP 100.A N THR 97.A O no hydrogen 3.055 N/A ARG 102.A N ASP 100.A OD1 no hydrogen 2.894 N/A ARG 102.A NE ASP 100.A OD1 no hydrogen 2.920 N/A ARG 102.A NH2 ASP 100.A OD2 no hydrogen 2.887 N/A VAL 103.A N ASP 100.A O no hydrogen 3.045 N/A LEU 106.A N ARG 102.A O no hydrogen 3.147 N/A ALA 107.A N VAL 103.A O no hydrogen 2.893 N/A GLN 108.A N PRO 104.A O no hydrogen 3.111 N/A GLU 109.A N ALA 105.A O no hydrogen 2.881 N/A MET 110.A N LEU 106.A O no hydrogen 2.846 N/A GLY 111.A N GLN 108.A O no hydrogen 3.258 N/A ASN 112.A N ALA 107.A O no hydrogen 3.048 N/A THR 113.A N ASN 112.A OD1 no hydrogen 2.811 N/A THR 113.A OG1 THR 138.A OG1 no hydrogen 2.678 N/A ALA 116.A N THR 113.A OG1 no hydrogen 2.987 N/A ALA 117.A N THR 113.A O no hydrogen 2.965 N/A ALA 118.A N ARG 114.A O.A no hydrogen 3.013 N/A ALA 118.A N ARG 114.A O.B no hydrogen 2.928 N/A LEU 119.A N ALA 116.A O no hydrogen 3.066 N/A GLU 120.A N ALA 117.A O no hydrogen 3.025 N/A LEU 121.A N ALA 118.A O no hydrogen 3.021 N/A TRP 122.A N LEU 119.A O no hydrogen 2.920 N/A ARG 123.A N GLU 120.A O no hydrogen 3.296 N/A ARG 123.A NE GLU 120.A OE1 no hydrogen 2.762 N/A ARG 123.A NH2 GLU 120.A OE1 no hydrogen 3.308 N/A LYS 125.A N TRP 122.A O no hydrogen 2.849 N/A LYS 125.A NZ GLU 93.A OE1 no hydrogen 3.564 N/A LYS 125.A NZ GLU 93.A OE2 no hydrogen 2.931 N/A LEU 126.A N ARG 123.A O no hydrogen 3.283 N/A GLY 128.A N ARG 154.A O no hydrogen 2.965 N/A ALA 129.A N LEU 126.A O no hydrogen 3.009 N/A VAL 130.A N PRO 71.A O no hydrogen 2.914 N/A VAL 131.A N ALA 157.A O no hydrogen 2.933 N/A ALA 132.A N LEU 73.A O no hydrogen 2.761 N/A ILE 133.A N ILE 159.A O no hydrogen 2.939 N/A GLY 134.A N ASP 75.A OD1 no hydrogen 2.963 N/A ASN 135.A N.A ASP 75.A OD2 no hydrogen 2.798 N/A ASN 135.A N.B ASP 75.A OD2 no hydrogen 2.803 N/A ASN 135.A ND2.B ASP 75.A OD1 no hydrogen 3.555 N/A ASN 135.A ND2.B SER 193.A OG.A no hydrogen 2.607 N/A ALA 136.A N ASP 75.A OD2 no hydrogen 2.892 N/A THR 138.A OG1 THR 113.A OG1 no hydrogen 2.678 N/A ALA 139.A N ALA 136.A O no hydrogen 2.924 N/A LEU 140.A N ALA 136.A O no hydrogen 3.243 N/A PHE 141.A N PRO 137.A O no hydrogen 2.911 N/A HIS 142.A N THR 138.A O no hydrogen 2.863 N/A HIS 142.A NE2 GLU 120.A OE2 no hydrogen 2.597 N/A LEU 143.A N ALA 139.A O no hydrogen 2.864 N/A LEU 144.A N LEU 140.A O no hydrogen 3.037 N/A ASN 145.A N PHE 141.A O no hydrogen 3.108 N/A MET 146.A N HIS 142.A O no hydrogen 2.834 N/A LEU 147.A N LEU 143.A O no hydrogen 2.963 N/A GLU 148.A N ASN 145.A O no hydrogen 3.190 N/A ASP 149.A N MET 146.A O no hydrogen 3.209 N/A ALA 151.A N ASP 149.A OD1 no hydrogen 2.986 N/A CYS 152.A N ASP 149.A O no hydrogen 2.983 N/A CYS 152.A SG PRO 153.A O no hydrogen 3.413 N/A ARG 154.A N GLU 127.A OE1 no hydrogen 2.942 N/A ARG 154.A NH1 LEU 147.A O no hydrogen 2.806 N/A ARG 154.A NH2 PRO 180.A O no hydrogen 2.977 N/A ALA 156.A N ALA 129.A O no hydrogen 2.754 N/A ALA 157.A N ALA 129.A O no hydrogen 3.424 N/A ILE 158.A N PRO 182.A O no hydrogen 2.854 N/A ILE 159.A N VAL 131.A O no hydrogen 2.774 N/A GLY 160.A N VAL 184.A O no hydrogen 2.855 N/A CYS 161.A N ILE 133.A O no hydrogen 2.803 N/A GLY 164.A N ARG 189.A O no hydrogen 2.886 N/A GLU 170.A N GLU 170.A OE1 no hydrogen 2.817 N/A SER 171.A N GLY 167.A O no hydrogen 2.894 N/A SER 171.A OG GLY 167.A O no hydrogen 3.403 N/A SER 171.A OG ALA 168.A O no hydrogen 2.832 N/A LYS 172.A N ALA 168.A O no hydrogen 3.155 N/A LYS 172.A NZ PRO 162.A O no hydrogen 2.809 N/A LYS 172.A NZ VAL 186.A O no hydrogen 2.753 N/A LYS 172.A NZ GLY 188.A O no hydrogen 2.761 N/A ALA 173.A N ALA 169.A O no hydrogen 2.932 N/A ALA 174.A N GLU 170.A O no hydrogen 2.924 N/A LEU 175.A N SER 171.A O no hydrogen 2.988 N/A ALA 176.A N LYS 172.A O no hydrogen 3.143 N/A VAL 177.A N ALA 173.A O no hydrogen 3.041 N/A ALA 178.A N ALA 174.A O no hydrogen 2.846 N/A ASN 179.A N LEU 175.A O no hydrogen 2.924 N/A TRP 183.A NE1 ASN 179.A OD1 no hydrogen 2.888 N/A VAL 184.A N ILE 158.A O no hydrogen 3.052 N/A ILE 185.A N ARG 53.A O no hydrogen 2.895 N/A GLU 187.A N HIS 51.A O no hydrogen 2.741 N/A GLY 192.A N CYS 161.A O no hydrogen 2.825 N/A THR 196.A N GLY 192.A O no hydrogen 3.024 N/A THR 196.A OG1 GLY 192.A O no hydrogen 2.835 N/A VAL 197.A N SER 193.A O no hydrogen 2.846 N/A ALA 198.A N ALA 194.A O no hydrogen 2.923 N/A ALA 199.A N ILE 195.A O no hydrogen 3.032 N/A VAL 200.A N THR 196.A O no hydrogen 3.061 N/A ASN 201.A N VAL 197.A O no hydrogen 2.796 N/A ALA 202.A N ALA 198.A O no hydrogen 2.838 N/A LEU 203.A N ALA 199.A O no hydrogen 3.026 N/A ALA 204.A N VAL 200.A O no hydrogen 2.893 N/A ARG 206.A NE GLU 67.A OE2 no hydrogen 2.861 N/A ARG 206.A NH2 GLU 67.A OE1 no hydrogen 2.824 N/A