Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1a8u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N LEU 15.A O no hydrogen 2.888 N/A THR 4.A OG1 ASP 14.A OD1 no hydrogen 2.705 N/A VAL 5.A N ILE 13.A O no hydrogen 2.821 N/A GLN 7.A NE2 ASN 9.A O no hydrogen 3.064 N/A GLU 8.A N THR 11.A O no hydrogen 2.736 N/A THR 11.A N GLU 8.A O no hydrogen 2.811 N/A THR 11.A OG1 GLU 8.A O no hydrogen 2.823 N/A SER 12.A OG ASP 14.A OD1 no hydrogen 2.910 N/A SER 12.A OG ASP 14.A OD2 no hydrogen 3.279 N/A ILE 13.A N GLY 6.A O no hydrogen 2.769 N/A ASP 14.A N SER 65.A OG no hydrogen 2.853 N/A LEU 15.A N ILE 3.A O no hydrogen 2.741 N/A TYR 16.A N SER 64.A OG no hydrogen 2.905 N/A TYR 16.A OH GLU 18.A OE2 no hydrogen 2.584 N/A TYR 17.A N PRO 1.A O no hydrogen 2.916 N/A GLU 18.A N THR 55.A O no hydrogen 2.957 N/A HIS 20.A N VAL 53.A O no hydrogen 2.963 N/A HIS 20.A NE2 GLU 18.A OE1 no hydrogen 2.728 N/A GLN 24.A NE2 ASP 91.A O no hydrogen 2.968 N/A VAL 26.A N ARG 52.A O no hydrogen 2.728 N/A VAL 27.A N VAL 93.A O no hydrogen 2.778 N/A LEU 28.A N ILE 54.A O no hydrogen 2.913 N/A ILE 29.A N VAL 95.A O no hydrogen 2.836 N/A HIS 30.A ND1 GLY 31.A O no hydrogen 2.753 N/A LEU 34.A N GLY 31.A O no hydrogen 2.954 N/A GLY 36.A N ASP 57.A OD1 no hydrogen 2.728 N/A HIS 37.A N SER 35.A OG no hydrogen 3.259 N/A HIS 37.A NE2 GLU 18.A OE2 no hydrogen 2.735 N/A SER 38.A N SER 35.A O no hydrogen 2.956 N/A SER 38.A OG SER 35.A O no hydrogen 2.714 N/A TRP 39.A N GLY 36.A O no hydrogen 3.111 N/A GLU 40.A N HIS 37.A O no hydrogen 3.131 N/A ARG 41.A NH1 TRP 261.A O no hydrogen 2.557 N/A GLN 42.A NE2 LEU 260.A O no hydrogen 2.989 N/A GLN 42.A NE2 ASN 268.A OD1 no hydrogen 3.173 N/A SER 43.A N TRP 39.A O no hydrogen 2.768 N/A SER 43.A OG TRP 39.A O no hydrogen 3.318 N/A ALA 44.A N GLU 40.A O no hydrogen 3.021 N/A ALA 45.A N ARG 41.A O no hydrogen 3.443 N/A LEU 46.A N GLN 42.A O no hydrogen 2.788 N/A LEU 47.A N SER 43.A O no hydrogen 2.863 N/A ASP 48.A N ALA 44.A O no hydrogen 3.000 N/A ALA 49.A N ALA 45.A O no hydrogen 3.027 N/A GLY 50.A N LEU 47.A O no hydrogen 3.095 N/A TYR 51.A N LEU 46.A O no hydrogen 3.029 N/A ARG 52.A N GLN 24.A O no hydrogen 3.046 N/A ARG 52.A NE ASP 19.A OD1 no hydrogen 2.849 N/A ARG 52.A NH2 ASP 19.A OD1 no hydrogen 3.520 N/A ARG 52.A NH2 ASP 19.A OD2 no hydrogen 2.884 N/A VAL 53.A N HIS 20.A O no hydrogen 2.825 N/A ILE 54.A N VAL 26.A O no hydrogen 2.857 N/A THR 55.A N GLU 18.A O no hydrogen 3.078 N/A ASP 57.A N TYR 16.A O no hydrogen 2.844 N/A ARG 58.A N HIS 30.A NE2 no hydrogen 2.906 N/A ARG 58.A NE GLU 103.A OE2 no hydrogen 2.837 N/A ARG 58.A NH1 HIS 30.A O no hydrogen 2.930 N/A ARG 58.A NH2 HIS 30.A O no hydrogen 2.844 N/A ARG 58.A NH2 GLU 103.A OE1 no hydrogen 2.873 N/A ARG 58.A NH2 GLU 103.A OE2 no hydrogen 3.227 N/A ARG 59.A NE ASP 79.A OD2 no hydrogen 2.833 N/A ARG 59.A NH1 THR 69.A O no hydrogen 2.982 N/A ARG 59.A NH2 ASP 79.A OD1 no hydrogen 2.903 N/A ARG 59.A NH2 ASP 79.A OD2 no hydrogen 3.411 N/A GLY 60.A N SER 65.A O no hydrogen 2.880 N/A PHE 61.A N ARG 58.A O no hydrogen 2.893 N/A GLN 63.A N ASP 57.A OD2 no hydrogen 2.796 N/A SER 64.A N PHE 61.A O no hydrogen 3.067 N/A SER 64.A OG ASP 57.A O no hydrogen 2.675 N/A SER 65.A N ASP 14.A O no hydrogen 2.903 N/A SER 65.A OG ASP 14.A O no hydrogen 3.298 N/A THR 68.A N GLU 8.A OE2 no hydrogen 2.964 N/A THR 68.A OG1 GLU 8.A OE2 no hydrogen 3.177 N/A TYR 71.A OH PRO 67.A O no hydrogen 2.685 N/A TYR 73.A OH MET 99.A O no hydrogen 2.723 N/A THR 75.A N ASP 72.A OD1 no hydrogen 2.840 N/A THR 75.A OG1 ASP 72.A OD1 no hydrogen 3.244 N/A THR 75.A OG1 ASP 72.A OD2 no hydrogen 2.827 N/A PHE 76.A N ASP 72.A O no hydrogen 2.865 N/A ALA 77.A N TYR 73.A O no hydrogen 2.880 N/A ALA 78.A N ASP 74.A O no hydrogen 2.930 N/A ASP 79.A N THR 75.A O no hydrogen 2.777 N/A LEU 80.A N PHE 76.A O no hydrogen 3.081 N/A ASN 81.A N ALA 77.A O no hydrogen 2.807 N/A THR 82.A N ALA 78.A O no hydrogen 2.935 N/A THR 82.A OG1 ALA 78.A O no hydrogen 3.163 N/A VAL 83.A N ASP 79.A O no hydrogen 2.935 N/A LEU 84.A N LEU 80.A O no hydrogen 2.884 N/A GLU 85.A N ASN 81.A O no hydrogen 2.892 N/A THR 86.A N THR 82.A O no hydrogen 2.833 N/A THR 86.A OG1 THR 82.A O no hydrogen 2.709 N/A LEU 87.A N VAL 83.A O no hydrogen 3.093 N/A ASP 88.A N GLU 85.A O no hydrogen 3.184 N/A LEU 89.A N LEU 84.A O no hydrogen 2.974 N/A GLN 90.A NE2 ASP 88.A OD1 no hydrogen 3.152 N/A ALA 92.A N ARG 115.A O no hydrogen 2.906 N/A VAL 93.A N PRO 25.A O no hydrogen 2.859 N/A LEU 94.A N LYS 118.A O no hydrogen 3.070 N/A VAL 95.A N VAL 27.A O no hydrogen 2.808 N/A GLY 96.A N ALA 120.A O no hydrogen 2.896 N/A PHE 97.A N ILE 29.A O no hydrogen 2.949 N/A SER 98.A N LEU 122.A O no hydrogen 2.845 N/A SER 98.A OG ALA 123.A O no hydrogen 3.561 N/A SER 98.A OG HIS 257.A NE2 no hydrogen 3.245 N/A GLY 100.A N PHE 97.A O no hydrogen 2.827 N/A THR 101.A N SER 98.A O no hydrogen 2.801 N/A THR 101.A OG1 SER 98.A O no hydrogen 2.617 N/A THR 101.A OG1 GLU 126.A OE1 no hydrogen 3.065 N/A GLY 102.A N MET 99.A O no hydrogen 2.966 N/A GLU 103.A N GLU 103.A OE1 no hydrogen 2.953 N/A VAL 104.A N GLY 100.A O no hydrogen 3.171 N/A ALA 105.A N THR 101.A O no hydrogen 3.164 N/A ARG 106.A N GLY 102.A O no hydrogen 2.913 N/A ARG 106.A NE ASP 212.A OD1 no hydrogen 3.389 N/A ARG 106.A NE ASP 212.A OD2 no hydrogen 2.960 N/A ARG 106.A NH1 ASP 74.A OD1 no hydrogen 2.989 N/A ARG 106.A NH2 ASP 212.A OD2 no hydrogen 3.207 N/A TYR 107.A N GLU 103.A O no hydrogen 2.834 N/A VAL 108.A N VAL 104.A O no hydrogen 3.052 N/A SER 109.A N ALA 105.A O no hydrogen 2.940 N/A SER 109.A OG ASP 212.A OD1 no hydrogen 2.619 N/A SER 110.A N ARG 106.A O no hydrogen 2.853 N/A SER 110.A OG ARG 106.A O no hydrogen 3.467 N/A TYR 111.A N TYR 107.A O no hydrogen 2.782 N/A GLY 112.A N VAL 108.A O no hydrogen 2.918 N/A THR 113.A OG1 ASP 217.A OD1 no hydrogen 2.593 N/A THR 113.A OG1 ASP 217.A OD2 no hydrogen 3.472 N/A ARG 115.A NH1 ASP 88.A OD1 no hydrogen 2.908 N/A ARG 115.A NH1 LEU 89.A O no hydrogen 2.942 N/A ILE 116.A N THR 113.A O no hydrogen 2.948 N/A ALA 117.A N ALA 92.A O no hydrogen 2.740 N/A LYS 118.A NZ LYS 277.A O no hydrogen 2.871 N/A VAL 119.A N PRO 219.A O no hydrogen 2.950 N/A ALA 120.A N LEU 94.A O no hydrogen 2.830 N/A PHE 121.A N LEU 221.A O no hydrogen 2.782 N/A LEU 122.A N GLY 96.A O no hydrogen 2.898 N/A ALA 123.A N LEU 223.A O no hydrogen 2.865 N/A LEU 125.A N THR 101.A OG1 no hydrogen 3.111 N/A GLU 126.A N GLU 126.A OE1 no hydrogen 2.942 N/A LYS 131.A N ALA 140.A O no hydrogen 2.771 N/A THR 132.A N ASN 135.A O no hydrogen 3.155 N/A ASN 135.A N THR 132.A OG1 no hydrogen 2.722 N/A ASN 135.A ND2 PHE 128.A O no hydrogen 2.879 N/A ASN 135.A ND2 LEU 130.A O no hydrogen 2.831 N/A GLY 138.A N ASN 135.A O no hydrogen 3.127 N/A ALA 139.A N LEU 129.A O no hydrogen 2.835 N/A LYS 142.A NZ ASP 146.A OD1 no hydrogen 2.887 N/A LYS 142.A NZ ASP 146.A OD2 no hydrogen 3.081 N/A PHE 144.A N PRO 141.A O no hydrogen 3.008 N/A ASP 146.A N LYS 142.A O no hydrogen 2.874 N/A GLY 147.A N GLU 143.A O no hydrogen 3.001 N/A ILE 148.A N PHE 144.A O no hydrogen 3.145 N/A VAL 149.A N PHE 145.A O no hydrogen 2.941 N/A ALA 150.A N ASP 146.A O no hydrogen 2.993 N/A ALA 151.A N GLY 147.A O no hydrogen 2.979 N/A VAL 152.A N ILE 148.A O no hydrogen 2.936 N/A LYS 153.A N VAL 149.A O no hydrogen 2.959 N/A ALA 154.A N ALA 150.A O no hydrogen 2.938 N/A ALA 154.A N ALA 151.A O no hydrogen 3.265 N/A ASP 155.A N ALA 151.A O no hydrogen 3.188 N/A ARG 156.A NH1 TYR 160.A OH no hydrogen 2.902 N/A ARG 156.A NH1 ALA 190.A O no hydrogen 3.524 N/A ARG 156.A NH1 ALA 191.A O no hydrogen 3.475 N/A ARG 156.A NH1 GLY 193.A O no hydrogen 3.092 N/A ARG 156.A NH2 ALA 191.A O no hydrogen 3.291 N/A ARG 156.A NH2 GLY 193.A O no hydrogen 3.142 N/A ALA 158.A N ASP 155.A OD1 no hydrogen 2.963 N/A PHE 159.A N ASP 155.A O no hydrogen 2.958 N/A TYR 160.A N ARG 156.A O no hydrogen 3.020 N/A THR 161.A N ALA 158.A O no hydrogen 3.111 N/A PHE 163.A N PHE 159.A O no hydrogen 3.098 N/A PHE 164.A N TYR 160.A O no hydrogen 2.884 N/A ASN 165.A N THR 161.A O no hydrogen 3.042 N/A ASP 166.A N GLY 162.A O no hydrogen 3.188 N/A PHE 167.A N PHE 163.A O no hydrogen 2.878 N/A TYR 168.A N PHE 164.A O no hydrogen 3.052 N/A TYR 168.A OH SER 186.A OG no hydrogen 2.777 N/A ASN 169.A N ASP 166.A O no hydrogen 3.322 N/A ASN 169.A ND2 GLU 172.A OE1 no hydrogen 3.365 N/A ASN 169.A ND2 GLY 227.A O no hydrogen 3.008 N/A LEU 170.A N ASN 165.A O no hydrogen 3.045 N/A GLU 172.A N ASN 169.A O no hydrogen 2.966 N/A ASN 173.A N ASN 169.A O no hydrogen 2.895 N/A ASN 173.A ND2 TYR 168.A O no hydrogen 2.972 N/A LEU 174.A N LEU 170.A O no hydrogen 2.977 N/A GLY 175.A N ILE 178.A O no hydrogen 2.794 N/A THR 176.A N ASN 173.A O no hydrogen 3.042 N/A THR 176.A OG1 GLU 172.A O no hydrogen 3.545 N/A THR 176.A OG1 ASN 173.A O no hydrogen 3.217 N/A ARG 177.A NH1 THR 262.A O no hydrogen 2.883 N/A ILE 178.A N ASN 173.A O no hydrogen 3.059 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.836 N/A ALA 182.A N SER 179.A OG no hydrogen 3.045 N/A VAL 183.A N SER 179.A O no hydrogen 3.059 N/A ARG 184.A N GLU 180.A O no hydrogen 2.888 N/A ASN 185.A N GLU 181.A O no hydrogen 2.965 N/A SER 186.A N ALA 182.A O no hydrogen 3.186 N/A SER 186.A OG TYR 168.A OH no hydrogen 2.777 N/A SER 186.A OG ALA 182.A O no hydrogen 3.397 N/A TRP 187.A N VAL 183.A O no hydrogen 3.003 N/A TRP 187.A NE1 TYR 157.A O no hydrogen 3.014 N/A ASN 188.A N ARG 184.A O no hydrogen 2.875 N/A THR 189.A N ASN 185.A O no hydrogen 2.992 N/A THR 189.A OG1 ASN 185.A O no hydrogen 3.201 N/A ALA 190.A N SER 186.A O no hydrogen 2.920 N/A ALA 191.A N TRP 187.A O no hydrogen 2.883 N/A SER 192.A N ASN 188.A O no hydrogen 3.059 N/A SER 192.A OG THR 189.A O no hydrogen 2.741 N/A GLY 193.A N ALA 190.A O no hydrogen 3.036 N/A GLY 194.A N GLY 60.A O no hydrogen 2.815 N/A ALA 198.A N GLY 194.A O no hydrogen 3.011 N/A ALA 199.A N PHE 196.A O no hydrogen 3.178 N/A ALA 200.A N PHE 196.A O no hydrogen 2.919 N/A ALA 201.A N ALA 197.A O no hydrogen 2.900 N/A THR 203.A N ALA 200.A O no hydrogen 3.330 N/A THR 204.A N ALA 201.A O no hydrogen 2.862 N/A THR 204.A OG1 ALA 201.A O no hydrogen 2.768 N/A TRP 205.A N PRO 202.A O no hydrogen 3.046 N/A THR 207.A N THR 204.A O no hydrogen 3.112 N/A THR 207.A OG1 THR 204.A O no hydrogen 2.670 N/A PHE 209.A N PRO 127.A O no hydrogen 2.872 N/A ARG 210.A N ASP 208.A OD1 no hydrogen 2.905 N/A ARG 210.A NE ASP 208.A OD1 no hydrogen 2.908 N/A ARG 210.A NE ASP 208.A OD2 no hydrogen 3.380 N/A ARG 210.A NH1 ASP 134.A OD2 no hydrogen 3.467 N/A ARG 210.A NH2 ASP 134.A OD2 no hydrogen 3.504 N/A ARG 210.A NH2 ASP 208.A OD2 no hydrogen 2.806 N/A ASP 212.A N PHE 209.A O no hydrogen 2.855 N/A ILE 213.A N PHE 209.A O no hydrogen 3.202 N/A ARG 215.A N ASP 212.A O no hydrogen 3.029 N/A ARG 215.A NH1 SER 109.A O no hydrogen 3.415 N/A ILE 216.A N ILE 213.A O no hydrogen 3.008 N/A LEU 221.A N VAL 119.A O no hydrogen 3.063 N/A ILE 222.A N GLU 248.A O no hydrogen 2.786 N/A LEU 223.A N PHE 121.A O no hydrogen 2.935 N/A HIS 224.A N VAL 250.A O no hydrogen 3.059 N/A HIS 224.A NE2 LEU 231.A O no hydrogen 2.868 N/A THR 226.A N VAL 252.A O no hydrogen 3.040 N/A THR 226.A OG1 GLU 253.A OE2 no hydrogen 2.986 N/A GLY 227.A N ALA 255.A O no hydrogen 2.825 N/A ASP 228.A N GLY 225.A O no hydrogen 3.346 N/A ARG 229.A NH1 ASP 171.A OD1 no hydrogen 3.097 N/A ARG 229.A NH2 ASP 171.A OD1 no hydrogen 2.783 N/A ARG 229.A NH2 ASP 171.A OD2 no hydrogen 3.547 N/A ARG 229.A NH2 GLU 172.A OE2 no hydrogen 3.393 N/A THR 230.A N ASP 228.A OD1 no hydrogen 2.848 N/A LEU 231.A N ASP 228.A OD1 no hydrogen 2.823 N/A GLU 234.A N GLU 234.A OE1 no hydrogen 2.770 N/A ASN 235.A N PRO 232.A O no hydrogen 3.016 N/A ASN 235.A ND2 ASP 137.A O no hydrogen 2.839 N/A THR 236.A N ILE 233.A O no hydrogen 3.321 N/A THR 236.A OG1 PRO 232.A O no hydrogen 2.832 N/A ARG 238.A N ILE 233.A O no hydrogen 3.031 N/A ARG 238.A NE GLU 251.A OE2 no hydrogen 2.885 N/A ARG 238.A NH2 GLU 251.A OE1 no hydrogen 2.829 N/A VAL 239.A N THR 236.A O no hydrogen 2.963 N/A PHE 240.A N THR 236.A O no hydrogen 2.822 N/A HIS 241.A N ALA 237.A O no hydrogen 2.802 N/A ALA 243.A N VAL 239.A O no hydrogen 3.091 N/A LEU 244.A N PHE 240.A O no hydrogen 2.891 N/A ALA 247.A N LEU 244.A O no hydrogen 3.157 N/A GLU 248.A N ALA 220.A O no hydrogen 2.824 N/A TYR 249.A OH GLU 251.A OE2 no hydrogen 2.617 N/A VAL 250.A N ILE 222.A O no hydrogen 2.877 N/A VAL 252.A N HIS 224.A O no hydrogen 2.836 N/A GLY 254.A N THR 226.A OG1 no hydrogen 2.781 N/A ALA 255.A N VAL 252.A O no hydrogen 3.189 N/A HIS 257.A ND1 ASP 228.A OD2 no hydrogen 2.764 N/A GLY 258.A N PHE 167.A O no hydrogen 2.816 N/A LEU 259.A N HIS 257.A O no hydrogen 2.863 N/A TRP 261.A N GLY 258.A O no hydrogen 3.316 N/A THR 262.A N GLY 258.A O no hydrogen 3.235 N/A THR 262.A OG1 GLY 258.A O no hydrogen 3.475 N/A THR 262.A OG1 HIS 263.A ND1 no hydrogen 2.812 N/A HIS 263.A N LEU 259.A O no hydrogen 3.016 N/A HIS 263.A ND1 THR 262.A OG1 no hydrogen 2.812 N/A ALA 264.A N TRP 261.A O no hydrogen 3.417 N/A GLU 266.A N GLU 266.A OE1 no hydrogen 2.824 N/A VAL 267.A N HIS 263.A O no hydrogen 2.984 N/A ASN 268.A N ALA 264.A O no hydrogen 2.754 N/A ASN 268.A ND2 ARG 41.A O no hydrogen 3.340 N/A THR 269.A N GLU 265.A O no hydrogen 2.922 N/A THR 269.A OG1 GLU 265.A O no hydrogen 2.929 N/A ALA 270.A N GLU 266.A O no hydrogen 3.111 N/A LEU 271.A N VAL 267.A O no hydrogen 2.813 N/A LEU 272.A N ASN 268.A O no hydrogen 2.932 N/A ALA 273.A N THR 269.A O no hydrogen 3.074 N/A PHE 274.A N ALA 270.A O no hydrogen 3.076 N/A LEU 275.A N LEU 271.A O no hydrogen 2.891 N/A ALA 276.A N LEU 272.A O no hydrogen 2.986 N/A LYS 277.A N PHE 274.A O no hydrogen 3.309 N/A