Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ub0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N TYR 31.A O no hydrogen 2.999 N/A LEU 5.A N ALA 73.A O no hydrogen 3.055 N/A THR 6.A N THR 33.A O no hydrogen 3.042 N/A THR 6.A OG1 ASP 21.A OD2 no hydrogen 2.637 N/A ILE 7.A N LYS 75.A O no hydrogen 2.885 N/A ALA 8.A N ALA 35.A O no hydrogen 3.199 N/A SER 10.A N LEU 38.A O no hydrogen 2.933 N/A ASP 11.A N GLN 19.A OE1 no hydrogen 2.717 N/A SER 12.A OG THR 40.A O no hydrogen 3.532 N/A SER 12.A OG GLN 42.A O no hydrogen 2.870 N/A GLY 13.A N ASP 11.A OD1 no hydrogen 2.858 N/A GLY 14.A N ASP 11.A O no hydrogen 2.890 N/A ALA 16.A N ASP 11.A OD2 no hydrogen 2.903 N/A VAL 18.A N GLY 9.A O no hydrogen 2.821 N/A GLN 19.A N GLN 19.A OE1 no hydrogen 2.746 N/A GLN 19.A NE2 SER 10.A OG no hydrogen 2.799 N/A ALA 20.A N ALA 16.A O no hydrogen 3.229 N/A ASP 21.A N GLY 17.A O no hydrogen 3.142 N/A LEU 22.A N VAL 18.A O no hydrogen 2.844 N/A LYS 23.A N GLN 19.A O no hydrogen 3.250 N/A LYS 23.A NZ GLY 14.A O no hydrogen 2.896 N/A VAL 24.A N ALA 20.A O no hydrogen 2.995 N/A PHE 25.A N ASP 21.A O no hydrogen 2.888 N/A PHE 26.A N LEU 22.A O no hydrogen 2.940 N/A ARG 27.A N LYS 23.A O no hydrogen 2.835 N/A ARG 27.A NE TRP 245.A O no hydrogen 3.038 N/A ARG 27.A NE ALA 246.A O no hydrogen 2.930 N/A ARG 27.A NH1 ARG 27.A O no hydrogen 3.061 N/A PHE 28.A N VAL 24.A O no hydrogen 2.990 N/A GLY 29.A N PHE 26.A O no hydrogen 3.080 N/A VAL 30.A N PHE 25.A O no hydrogen 2.816 N/A TYR 31.A N ARG 2.A O no hydrogen 2.857 N/A THR 33.A N ALA 4.A O no hydrogen 2.951 N/A THR 33.A OG1 ALA 4.A O no hydrogen 2.900 N/A ALA 35.A N THR 6.A O no hydrogen 2.846 N/A LEU 36.A N GLN 61.A OE1 no hydrogen 2.890 N/A THR 37.A N ALA 8.A O no hydrogen 3.000 N/A THR 37.A OG1 ALA 78.A O no hydrogen 2.716 N/A VAL 39.A N HIS 51.A O no hydrogen 2.832 N/A THR 40.A N SER 10.A O no hydrogen 2.955 N/A THR 40.A OG1 SER 10.A O no hydrogen 2.665 N/A ALA 41.A N ARG 49.A O no hydrogen 2.923 N/A GLN 42.A N SER 12.A OG no hydrogen 2.769 N/A GLN 42.A NE2 THR 40.A OG1 no hydrogen 3.002 N/A ASN 43.A N GLY 46.A O no hydrogen 3.094 N/A LEU 45.A N ASN 43.A OD1 no hydrogen 2.863 N/A GLY 46.A N ASN 43.A O no hydrogen 3.331 N/A GLN 48.A N ALA 41.A O no hydrogen 2.861 N/A GLN 48.A NE2 ASN 43.A OD1 no hydrogen 3.153 N/A GLN 48.A NE2 GLY 46.A O no hydrogen 2.920 N/A ARG 49.A N ALA 41.A O no hydrogen 3.333 N/A HIS 51.A N VAL 39.A O no hydrogen 2.872 N/A LEU 53.A N THR 37.A O no hydrogen 3.137 N/A GLU 56.A N GLU 56.A OE2 no hydrogen 2.708 N/A VAL 57.A N PRO 54.A O no hydrogen 2.881 N/A VAL 58.A N PRO 54.A O no hydrogen 3.266 N/A TYR 59.A N PRO 55.A O no hydrogen 3.010 N/A ALA 60.A N GLU 56.A O no hydrogen 2.901 N/A GLN 61.A N VAL 57.A O no hydrogen 3.223 N/A GLN 61.A NE2 LEU 36.A O no hydrogen 2.916 N/A GLN 61.A NE2 VAL 57.A O no hydrogen 3.105 N/A ILE 62.A N VAL 58.A O no hydrogen 3.254 N/A GLU 63.A N TYR 59.A O no hydrogen 2.945 N/A SER 64.A N ALA 60.A O no hydrogen 2.847 N/A SER 64.A OG ALA 60.A O no hydrogen 3.186 N/A VAL 65.A N GLN 61.A O no hydrogen 3.014 N/A ALA 66.A N ILE 62.A O no hydrogen 2.737 N/A GLN 67.A N GLU 63.A O no hydrogen 3.074 N/A ASP 68.A N VAL 65.A O no hydrogen 3.160 N/A PHE 69.A N VAL 65.A O no hydrogen 2.857 N/A HIS 72.A N VAL 3.A O no hydrogen 2.921 N/A ALA 74.A N PRO 99.A O no hydrogen 3.061 N/A LYS 75.A N LEU 5.A O no hydrogen 2.950 N/A LYS 75.A NZ ASP 21.A OD1 no hydrogen 2.802 N/A LYS 75.A NZ ASP 21.A OD2 no hydrogen 3.520 N/A LYS 75.A NZ CYS 198.A O no hydrogen 3.235 N/A LYS 75.A NZ SER 201.A OG no hydrogen 2.666 N/A THR 76.A N VAL 101.A O no hydrogen 2.892 N/A GLY 77.A N ILE 7.A O no hydrogen 2.800 N/A ASP 81.A N LEU 79.A O no hydrogen 2.896 N/A ILE 84.A N ASP 81.A OD2 no hydrogen 2.853 N/A VAL 85.A N ASP 81.A O no hydrogen 2.949 N/A GLU 86.A N ALA 82.A O no hydrogen 2.923 N/A ALA 87.A N ALA 83.A O no hydrogen 3.076 N/A VAL 88.A N ILE 84.A O no hydrogen 2.825 N/A ALA 89.A N VAL 85.A O no hydrogen 2.856 N/A GLU 90.A N GLU 86.A O no hydrogen 2.967 N/A ALA 91.A N ALA 87.A O no hydrogen 2.902 N/A VAL 92.A N VAL 88.A O no hydrogen 2.790 N/A ARG 93.A N ALA 89.A O no hydrogen 2.945 N/A ARG 94.A N GLU 90.A O no hydrogen 2.798 N/A ARG 94.A NH2 ARG 94.A O no hydrogen 2.760 N/A PHE 95.A N ALA 91.A O no hydrogen 2.881 N/A GLY 96.A N ARG 93.A O no hydrogen 3.236 N/A VAL 97.A N VAL 92.A O no hydrogen 3.072 N/A LEU 100.A N ASP 123.A OD2 no hydrogen 2.675 N/A VAL 101.A N ALA 74.A O no hydrogen 2.801 N/A VAL 102.A N LEU 124.A O no hydrogen 2.760 N/A ASP 103.A N THR 76.A O no hydrogen 3.141 N/A ALA 111.A N ALA 107.A O no hydrogen 3.322 N/A ALA 112.A N LYS 108.A O no hydrogen 3.230 N/A ALA 113.A N GLU 109.A O no hydrogen 3.004 N/A LEU 114.A N ALA 110.A O no hydrogen 2.874 N/A LYS 115.A N ALA 111.A O no hydrogen 3.052 N/A LYS 115.A NZ LEU 135.A O no hydrogen 2.848 N/A GLU 116.A N ALA 112.A O no hydrogen 2.917 N/A ARG 117.A N ALA 113.A O no hydrogen 2.721 N/A LEU 118.A N LEU 114.A O no hydrogen 3.010 N/A PHE 119.A N LEU 114.A O no hydrogen 2.955 N/A LEU 121.A N LEU 118.A O no hydrogen 2.867 N/A ALA 122.A N PHE 119.A O no hydrogen 3.072 N/A ASP 123.A N LEU 100.A O no hydrogen 2.836 N/A LEU 124.A N LEU 100.A O no hydrogen 3.231 N/A VAL 125.A N ALA 160.A O no hydrogen 3.191 N/A THR 126.A N VAL 102.A O no hydrogen 3.041 N/A ASN 128.A N GLU 131.A OE2 no hydrogen 2.978 N/A GLU 131.A N ASN 128.A OD1 no hydrogen 2.509 N/A ALA 132.A N ASN 128.A O no hydrogen 2.714 N/A GLU 133.A N ARG 129.A O no hydrogen 2.845 N/A ALA 134.A N LEU 130.A O no hydrogen 2.833 N/A LEU 135.A N GLU 131.A O no hydrogen 2.802 N/A LEU 136.A N ALA 132.A O no hydrogen 2.936 N/A GLY 137.A N GLU 133.A O no hydrogen 2.437 N/A ILE 140.A N GLU 133.A OE1 no hydrogen 2.565 N/A ARG 141.A N GLU 145.A OE1 no hydrogen 2.555 N/A GLU 145.A N THR 142.A OG1 no hydrogen 3.163 N/A ALA 146.A N THR 142.A O no hydrogen 2.718 N/A GLU 147.A N LEU 143.A O no hydrogen 2.835 N/A GLU 148.A N LYS 144.A O no hydrogen 3.165 N/A ALA 149.A N GLU 145.A O no hydrogen 3.117 N/A ALA 150.A N ALA 146.A O no hydrogen 2.875 N/A LYS 151.A N GLU 147.A O no hydrogen 3.041 N/A ALA 152.A N GLU 148.A O no hydrogen 2.774 N/A LEU 153.A N ALA 149.A O no hydrogen 2.893 N/A LEU 154.A N ALA 150.A O no hydrogen 3.055 N/A ALA 155.A N ALA 152.A O no hydrogen 3.170 N/A LEU 156.A N LEU 153.A O no hydrogen 2.932 N/A GLY 157.A N LEU 154.A O no hydrogen 3.281 N/A LYS 159.A N ALA 122.A O no hydrogen 3.061 N/A VAL 161.A N ALA 175.A O no hydrogen 2.794 N/A LEU 162.A N VAL 125.A O no hydrogen 2.845 N/A LEU 163.A N LEU 173.A O no hydrogen 2.851 N/A LYS 164.A N PRO 127.A O no hydrogen 2.889 N/A GLY 165.A N ASP 172.A OD1 no hydrogen 2.549 N/A HIS 167.A N VAL 171.A O no hydrogen 3.472 N/A VAL 171.A N HIS 167.A O no hydrogen 2.994 N/A ASP 172.A N PHE 183.A O no hydrogen 2.980 N/A LEU 173.A N LEU 163.A O no hydrogen 2.951 N/A LEU 174.A N LEU 181.A O no hydrogen 2.943 N/A ALA 175.A N VAL 161.A O no hydrogen 2.691 N/A THR 176.A N GLY 179.A O no hydrogen 2.931 N/A THR 176.A OG1 GLY 179.A O no hydrogen 3.464 N/A GLY 178.A N THR 176.A OG1 no hydrogen 3.167 N/A GLY 179.A N THR 176.A O no hydrogen 3.088 N/A GLY 179.A N THR 176.A OG1 no hydrogen 3.404 N/A LEU 181.A N LEU 174.A O no hydrogen 2.788 N/A PHE 183.A N ASP 172.A O no hydrogen 2.913 N/A ALA 185.A N ALA 170.A O no hydrogen 3.358 N/A ARG 187.A N GLU 169.A OE2 no hydrogen 3.094 N/A VAL 188.A N PRO 186.A O no hydrogen 2.612 N/A ASN 192.A N THR 190.A OG1 no hydrogen 3.259 N/A ASN 192.A ND2 PRO 233.A O no hydrogen 2.463 N/A ASN 192.A ND2 PRO 241.A O no hydrogen 2.958 N/A THR 193.A N ARG 191.A O no hydrogen 2.834 N/A HIS 194.A NE2 ASP 11.A OD2 no hydrogen 2.879 N/A THR 196.A N THR 193.A O no hydrogen 3.324 N/A THR 196.A OG1 THR 193.A O no hydrogen 2.954 N/A CYS 198.A SG.A GLY 17.A O no hydrogen 3.493 N/A CYS 198.A SG.A ASP 21.A OD1 no hydrogen 3.075 N/A THR 199.A N GLY 195.A O no hydrogen 2.871 N/A THR 199.A OG1 GLY 195.A O no hydrogen 2.731 N/A THR 199.A OG1 HIS 244.A NE2 no hydrogen 2.815 N/A LEU 200.A N THR 196.A O no hydrogen 3.079 N/A SER 201.A N GLY 197.A O no hydrogen 3.098 N/A SER 201.A OG ASP 103.A OD2 no hydrogen 2.825 N/A SER 201.A OG GLY 197.A O no hydrogen 3.326 N/A SER 201.A OG CYS 198.A O no hydrogen 3.166 N/A ALA 202.A N CYS 198.A O no hydrogen 3.073 N/A ALA 203.A N THR 199.A O no hydrogen 3.022 N/A ILE 204.A N LEU 200.A O no hydrogen 3.025 N/A ALA 205.A N SER 201.A O no hydrogen 3.050 N/A ALA 206.A N ALA 202.A O no hydrogen 2.889 N/A LEU 207.A N ALA 203.A O no hydrogen 2.879 N/A LEU 208.A N ILE 204.A O no hydrogen 2.893 N/A ALA 209.A N ALA 205.A O no hydrogen 2.934 N/A LYS 210.A N ALA 206.A O no hydrogen 3.169 N/A LYS 210.A N LEU 207.A O no hydrogen 3.105 N/A LYS 210.A NZ PHE 28.A O no hydrogen 2.798 N/A GLY 211.A N LEU 208.A O no hydrogen 3.017 N/A ARG 212.A N LEU 207.A O no hydrogen 3.036 N/A ARG 212.A NE GLU 220.A OE1 no hydrogen 3.118 N/A ARG 212.A NE GLU 220.A OE2 no hydrogen 3.219 N/A ALA 217.A N PRO 213.A O no hydrogen 2.789 N/A VAL 218.A N LEU 214.A O no hydrogen 2.931 N/A ALA 219.A N ALA 215.A O no hydrogen 3.137 N/A GLU 220.A N GLU 216.A O no hydrogen 2.954 N/A ALA 221.A N ALA 217.A O no hydrogen 2.812 N/A LYS 222.A N VAL 218.A O no hydrogen 2.897 N/A LYS 222.A NZ ASP 172.A OD2 no hydrogen 2.648 N/A ALA 223.A N ALA 219.A O no hydrogen 3.000 N/A TYR 224.A N GLU 220.A O no hydrogen 3.035 N/A TYR 224.A OH HIS 244.A O no hydrogen 2.791 N/A LEU 225.A N ALA 221.A O no hydrogen 2.912 N/A THR 226.A N LYS 222.A O no hydrogen 3.018 N/A THR 226.A OG1 LYS 222.A O no hydrogen 3.085 N/A ARG 227.A N ALA 223.A O no hydrogen 3.236 N/A ARG 227.A NE ALA 246.A OXT no hydrogen 2.922 N/A ALA 228.A N TYR 224.A O no hydrogen 2.817 N/A LEU 229.A N LEU 225.A O no hydrogen 2.786 N/A LYS 230.A N THR 226.A O no hydrogen 3.012 N/A THR 231.A N ARG 227.A O no hydrogen 3.332 N/A THR 231.A OG1 ARG 227.A O no hydrogen 3.354 N/A THR 231.A OG1 ASP 243.A OD1 no hydrogen 2.585 N/A ALA 232.A N LEU 229.A O no hydrogen 3.314 N/A SER 234.A OG SER 234.A O no hydrogen 2.564 N/A GLY 238.A N THR 44.A OG1 no hydrogen 2.835 N/A HIS 239.A N THR 44.A O no hydrogen 3.078 N/A HIS 239.A ND1 ARG 191.A O no hydrogen 2.815 N/A ASP 243.A N ALA 228.A O no hydrogen 3.004 N/A HIS 244.A NE2 THR 199.A OG1 no hydrogen 2.815 N/A TRP 245.A N ASP 243.A OD2 no hydrogen 3.145 N/A ALA 246.A N ASP 243.A O no hydrogen 3.018 N/A