Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8qhg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 7.A NE2 HIS 67.A NE2.B no hydrogen 2.944 N/A GLY 9.A N ASN 14.A O no hydrogen 3.000 N/A GLY 11.A N ASN 14.A OD1 no hydrogen 2.890 N/A ASN 14.A ND2 HIS 7.A O no hydrogen 3.400 N/A HIS 18.A N GLY 15.A O no hydrogen 2.738 N/A TRP 19.A N PRO 16.A O no hydrogen 3.315 N/A TRP 19.A NE1 GLY 9.A O no hydrogen 3.084 N/A TRP 19.A NE1 ASN 14.A O no hydrogen 2.975 N/A LYS 21.A N HIS 18.A O no hydrogen 3.014 N/A LYS 21.A NZ HIS 18.A ND1 no hydrogen 3.296 N/A ASP 22.A N TRP 19.A O no hydrogen 3.165 N/A PHE 23.A N TRP 19.A O no hydrogen 2.856 N/A ALA 26.A N PHE 23.A O no hydrogen 2.902 N/A LYS 27.A N PRO 24.A O no hydrogen 2.800 N/A GLY 28.A N ILE 25.A O no hydrogen 2.936 N/A ARG 30.A N GLU 207.A OE2 no hydrogen 3.050 N/A ARG 30.A NE GLY 198.A O no hydrogen 3.261 N/A ARG 30.A NH2 GLY 198.A O no hydrogen 2.837 N/A GLN 31.A NE2 LEU 205.A O no hydrogen 3.069 N/A GLN 31.A NE2 GLU 207.A OE2 no hydrogen 3.175 N/A SER 32.A N SER 199.A OG no hydrogen 2.775 N/A SER 32.A OG TYR 196.A OH no hydrogen 2.701 N/A ILE 36.A N THR 111.A O no hydrogen 2.674 N/A THR 38.A N ASP 113.A OD1 no hydrogen 2.534 N/A THR 38.A OG1 ASP 113.A OD1 no hydrogen 3.044 N/A THR 38.A OG1 ASP 113.A OD2 no hydrogen 2.251 N/A THR 40.A N ASP 37.A OD2 no hydrogen 2.885 N/A THR 40.A OG1 ASP 37.A OD2 no hydrogen 2.353 N/A ALA 41.A N ASP 37.A O no hydrogen 2.784 N/A LYS 42.A N ILE 258.A O no hydrogen 3.163 N/A ASP 44.A N ALA 260.A O no hydrogen 2.835 N/A SER 46.A N ASP 44.A OD1 no hydrogen 3.058 N/A SER 46.A OG ASP 44.A OD1 no hydrogen 2.492 N/A LEU 47.A N ASP 44.A O no hydrogen 2.936 N/A SER 51.A N LYS 83.A O no hydrogen 2.810 N/A SER 53.A N VAL 81.A O no hydrogen 2.787 N/A TYR 54.A OH HIS 125.A NE2 no hydrogen 2.728 N/A GLN 56.A N LYS 79.A O no hydrogen 3.357 N/A ALA 57.A N TYR 54.A O no hydrogen 3.057 N/A THR 58.A OG1 GLN 56.A O no hydrogen 3.164 N/A SER 59.A OG PHE 178.A O no hydrogen 2.572 N/A LEU 60.A N THR 72.A O no hydrogen 2.835 N/A ARG 61.A N THR 72.A OG1 no hydrogen 3.169 N/A ARG 61.A NH1 SER 175.A OG no hydrogen 2.880 N/A ILE 62.A N ALA 176.A O no hydrogen 2.880 N/A LEU 63.A N GLN 70.A O no hydrogen 2.908 N/A ASN 64.A N LYS 174.A O no hydrogen 2.970 N/A ASN 64.A ND2 ILE 169.A O no hydrogen 3.136 N/A ASN 64.A ND2 ASN 232.A O no hydrogen 3.200 N/A ASN 65.A N SER 68.A O no hydrogen 3.267 N/A ASN 65.A ND2 GLN 70.A OE1 no hydrogen 3.230 N/A GLY 66.A N ASN 64.A OD1 no hydrogen 2.824 N/A HIS 67.A N.A ASN 65.A OD1 no hydrogen 2.890 N/A HIS 67.A N.B ASN 65.A OD1 no hydrogen 2.869 N/A HIS 67.A NE2.B HIS 7.A NE2 no hydrogen 2.944 N/A SER 68.A N ASN 65.A OD1 no hydrogen 2.827 N/A SER 68.A OG PHE 69.A O no hydrogen 3.298 N/A SER 68.A OG PHE 98.A O no hydrogen 2.597 N/A GLN 70.A N LEU 63.A O no hydrogen 2.923 N/A VAL 71.A N PHE 96.A O no hydrogen 2.903 N/A THR 72.A N ARG 61.A O no hydrogen 2.930 N/A THR 72.A OG1 ARG 61.A O no hydrogen 3.409 N/A PHE 73.A N LEU 94.A O no hydrogen 2.990 N/A ASP 74.A N THR 58.A O no hydrogen 2.973 N/A SER 76.A N ASP 74.A OD1 no hydrogen 2.902 N/A SER 76.A OG ASP 74.A OD1 no hydrogen 2.725 N/A LYS 79.A N GLN 77.A O no hydrogen 2.847 N/A VAL 81.A N SER 53.A O no hydrogen 2.973 N/A LEU 82.A N TYR 91.A O no hydrogen 2.814 N/A LYS 83.A N SER 51.A O no hydrogen 3.043 N/A GLY 85.A N PRO 49.A O no hydrogen 3.040 N/A LEU 87.A N GLY 84.A O no hydrogen 2.913 N/A TYR 91.A N LEU 82.A O no hydrogen 2.983 N/A TYR 91.A OH ASP 141.A O no hydrogen 2.950 N/A ARG 92.A N TRP 126.A O no hydrogen 2.963 N/A ARG 92.A NE ASP 78.A OD1 no hydrogen 2.737 N/A ARG 92.A NH1 ASP 75.A O no hydrogen 2.936 N/A ARG 92.A NH2 ASP 78.A OD1 no hydrogen 2.695 N/A LEU 93.A N ALA 80.A O no hydrogen 2.827 N/A LEU 94.A N VAL 124.A O no hydrogen 2.850 N/A PHE 96.A N VAL 71.A O no hydrogen 2.992 N/A HIS 97.A N HIS 122.A O no hydrogen 2.992 N/A HIS 97.A ND1 GLN 95.A OE1 no hydrogen 2.774 N/A HIS 97.A NE2 HIS 99.A NE2 no hydrogen 3.104 N/A HIS 99.A N GLU 120.A O no hydrogen 2.938 N/A HIS 99.A ND1 ASN 246.A O no hydrogen 2.796 N/A HIS 99.A NE2 HIS 97.A NE2 no hydrogen 3.104 N/A TRP 100.A N ASN 246.A OD1 no hydrogen 2.846 N/A TRP 100.A NE1 MET 243.A O no hydrogen 2.802 N/A SER 102.A N ASP 245.A OD1 no hydrogen 2.996 N/A SER 102.A OG ASP 245.A OD1 no hydrogen 3.507 N/A SER 102.A OG ASP 245.A OD2 no hydrogen 2.600 N/A GLN 106.A N LEU 103.A O no hydrogen 3.380 N/A GLN 106.A NE2 ASP 245.A OD1 no hydrogen 2.987 N/A GLN 106.A NE2 ASP 245.A OD2 no hydrogen 3.476 N/A SER 108.A N TYR 117.A O no hydrogen 2.975 N/A SER 108.A OG HIS 110.A O no hydrogen 2.678 N/A GLU 109.A N GLU 120.A OE1 no hydrogen 2.880 N/A HIS 110.A N GLU 120.A OE1 no hydrogen 2.810 N/A HIS 110.A ND1 GLU 120.A OE2 no hydrogen 2.737 N/A HIS 110.A NE2 TYR 196.A OH no hydrogen 2.637 N/A THR 111.A N VAL 34.A O no hydrogen 3.460 N/A THR 111.A OG1 ASP 35.A OD1 no hydrogen 2.632 N/A VAL 112.A N LYS 115.A O no hydrogen 3.113 N/A ASP 113.A N ILE 36.A O no hydrogen 2.628 N/A LYS 114.A N ASP 35.A OD1 no hydrogen 2.551 N/A LYS 115.A N VAL 112.A O no hydrogen 2.576 N/A TYR 117.A N SER 108.A OG no hydrogen 2.893 N/A ALA 119.A N LEU 150.A O no hydrogen 3.356 N/A GLU 120.A N HIS 99.A O no hydrogen 2.903 N/A LEU 121.A N ILE 148.A O no hydrogen 2.766 N/A HIS 122.A N HIS 97.A O no hydrogen 2.982 N/A HIS 122.A NE2 GLU 120.A OE2 no hydrogen 2.742 N/A LEU 123.A N LEU 146.A O no hydrogen 3.013 N/A VAL 124.A N GLN 95.A O no hydrogen 2.828 N/A HIS 125.A N ALA 144.A O no hydrogen 2.822 N/A HIS 125.A ND1 ALA 144.A O no hydrogen 3.000 N/A HIS 125.A NE2 TYR 54.A OH no hydrogen 2.728 N/A TRP 126.A N ARG 92.A O no hydrogen 2.964 N/A TRP 126.A NE1 ASP 75.A OD2 no hydrogen 2.796 N/A ASN 127.A N GLY 142.A O no hydrogen 2.830 N/A ASN 127.A ND2 ASP 141.A O no hydrogen 3.188 N/A THR 128.A N THR 90.A O no hydrogen 2.974 N/A THR 128.A OG1 THR 90.A O no hydrogen 3.066 N/A LYS 129.A N ASN 127.A OD1 no hydrogen 3.167 N/A LYS 129.A NZ ASP 141.A OD2 no hydrogen 2.914 N/A TYR 130.A N ASN 127.A O no hydrogen 3.026 N/A TYR 130.A OH ASP 141.A OD1 no hydrogen 2.530 N/A TYR 130.A OH ASP 141.A OD2 no hydrogen 3.425 N/A GLY 131.A N THR 128.A O no hydrogen 3.064 N/A ASP 132.A N TYR 130.A O no hydrogen 3.098 N/A LYS 135.A N ASP 132.A OD1 no hydrogen 2.836 N/A LYS 135.A NZ ASP 132.A OD2 no hydrogen 3.045 N/A ALA 136.A N ASP 132.A O no hydrogen 2.985 N/A LEU 137.A N VAL 133.A O no hydrogen 2.911 N/A GLN 138.A N LYS 135.A O no hydrogen 3.191 N/A GLN 139.A N ALA 136.A O no hydrogen 2.867 N/A GLY 142.A N GLN 139.A O no hydrogen 3.156 N/A LEU 143.A N GLY 208.A O no hydrogen 3.023 N/A ALA 144.A N HIS 125.A O no hydrogen 2.949 N/A VAL 145.A N THR 210.A O no hydrogen 3.152 N/A LEU 146.A N LEU 123.A O no hydrogen 2.937 N/A GLY 147.A N ILE 212.A O no hydrogen 2.729 N/A ILE 148.A N LEU 121.A O no hydrogen 2.834 N/A LEU 150.A N ALA 119.A O no hydrogen 2.850 N/A LYS 151.A N ILE 218.A O no hydrogen 2.940 N/A GLY 153.A N VAL 220.A O no hydrogen 2.798 N/A SER 154.A OG SER 219.A OG no hydrogen 3.066 N/A LYS 156.A N GLN 224.A OE1 no hydrogen 2.916 N/A LYS 156.A NZ LEU 187.A O no hydrogen 2.999 N/A LEU 159.A N LYS 156.A O no hydrogen 3.059 N/A GLN 160.A N PRO 157.A O no hydrogen 3.076 N/A GLN 160.A NE2 ASP 164.A OD1 no hydrogen 2.661 N/A VAL 162.A N LEU 159.A O no hydrogen 2.991 N/A VAL 163.A N LEU 159.A O no hydrogen 3.061 N/A ASP 164.A N GLN 160.A O no hydrogen 2.885 N/A VAL 165.A N VAL 162.A O no hydrogen 2.984 N/A LEU 166.A N VAL 163.A O no hydrogen 3.173 N/A SER 168.A N VAL 165.A O no hydrogen 2.800 N/A SER 168.A OG VAL 165.A O no hydrogen 2.622 N/A ILE 169.A N LEU 166.A O no hydrogen 3.064 N/A GLU 172.A N ASN 234.A O no hydrogen 2.916 N/A GLY 173.A N ASN 64.A O no hydrogen 2.837 N/A LYS 174.A N THR 171.A O no hydrogen 3.118 N/A LYS 174.A NZ SER 168.A O no hydrogen 3.404 N/A ALA 176.A N ILE 62.A O no hydrogen 2.876 N/A PHE 178.A N LEU 60.A O no hydrogen 2.824 N/A THR 179.A OG1 ASN 180.A OD1 no hydrogen 3.506 N/A PHE 181.A N SER 59.A OG no hydrogen 2.910 N/A ARG 184.A N ASP 182.A OD1 no hydrogen 2.878 N/A ARG 184.A NE ASP 182.A OD1 no hydrogen 3.068 N/A ARG 184.A NE ASP 182.A OD2 no hydrogen 3.295 N/A ARG 184.A NH2 ASP 182.A OD2 no hydrogen 2.721 N/A GLY 185.A N ASP 182.A O no hydrogen 3.247 N/A LEU 186.A N PRO 183.A O no hydrogen 2.897 N/A LEU 187.A N ARG 184.A O no hydrogen 3.134 N/A GLU 189.A N GLU 216.A OE2 no hydrogen 3.224 N/A SER 190.A N GLU 216.A OE1 no hydrogen 2.845 N/A ASP 192.A N SER 190.A OG no hydrogen 3.343 N/A TYR 193.A N SER 261.A OG no hydrogen 2.926 N/A TYR 193.A OH LYS 48.A O no hydrogen 2.792 N/A TRP 194.A N VAL 213.A O no hydrogen 2.779 N/A THR 195.A N LYS 259.A O no hydrogen 2.864 N/A THR 195.A OG1 TRP 211.A O no hydrogen 2.669 N/A TYR 196.A N TRP 211.A O no hydrogen 3.345 N/A TYR 196.A OH SER 32.A OG no hydrogen 2.701 N/A TYR 196.A OH HIS 110.A NE2 no hydrogen 2.637 N/A GLY 198.A N VAL 209.A O no hydrogen 2.735 N/A SER 199.A N SER 32.A OG no hydrogen 3.020 N/A SER 199.A OG LEU 200.A O no hydrogen 2.616 N/A LEU 200.A N ALA 206.A O no hydrogen 2.994 N/A THR 201.A OG1 GLU 109.A OE1 no hydrogen 2.733 N/A THR 201.A OG1 GLU 109.A OE2 no hydrogen 3.467 N/A LEU 205.A N THR 202.A O no hydrogen 2.873 N/A VAL 209.A N GLY 198.A O no hydrogen 3.174 N/A THR 210.A N LEU 143.A O no hydrogen 2.985 N/A TRP 211.A N TYR 196.A O no hydrogen 2.985 N/A TRP 211.A NE1 SER 199.A O no hydrogen 2.857 N/A ILE 212.A N VAL 145.A O no hydrogen 2.983 N/A VAL 213.A N TRP 194.A O no hydrogen 2.816 N/A LEU 214.A N GLY 147.A O no hydrogen 2.982 N/A LYS 215.A N ASP 192.A O no hydrogen 2.954 N/A LYS 215.A NZ ASP 192.A OD2 no hydrogen 3.124 N/A ILE 218.A N PHE 149.A O no hydrogen 2.891 N/A SER 219.A OG SER 154.A O no hydrogen 3.501 N/A SER 219.A OG SER 154.A OG no hydrogen 3.066 N/A VAL 220.A N LYS 151.A O no hydrogen 2.929 N/A SER 221.A N GLN 224.A OE1 no hydrogen 3.002 N/A GLN 224.A N SER 221.A OG no hydrogen 3.081 N/A GLN 224.A NE2 LYS 156.A O no hydrogen 2.866 N/A GLN 224.A NE2 GLN 160.A OE1 no hydrogen 2.860 N/A VAL 225.A N SER 221.A O no hydrogen 3.107 N/A LEU 226.A N SER 222.A O no hydrogen 2.930 N/A LYS 227.A N GLU 223.A O no hydrogen 3.244 N/A LYS 227.A N GLN 224.A O no hydrogen 3.036 N/A ARG 229.A N VAL 225.A O no hydrogen 3.284 N/A ARG 229.A NE GLY 101.A O no hydrogen 2.870 N/A ARG 229.A NH1 ASP 104.A OD1 no hydrogen 3.507 N/A ARG 229.A NH2 ASP 104.A OD1 no hydrogen 2.914 N/A LYS 230.A N LYS 227.A O no hydrogen 3.253 N/A LEU 231.A N PHE 228.A O no hydrogen 3.066 N/A ASN 232.A N LYS 170.A O no hydrogen 2.850 N/A ASN 232.A ND2 GLU 240.A OE2 no hydrogen 3.527 N/A PHE 233.A N GLU 241.A O no hydrogen 2.954 N/A ASN 234.A ND2 GLY 235.A O no hydrogen 3.033 N/A GLY 235.A N GLU 238.A OE1 no hydrogen 2.939 N/A GLU 238.A N GLY 235.A O no hydrogen 3.023 N/A GLU 241.A N ASN 234.A OD1 no hydrogen 2.746 N/A MET 243.A N LEU 231.A O no hydrogen 2.760 N/A ASN 246.A ND2 HIS 67.A O.A no hydrogen 2.962 N/A ASN 246.A ND2 HIS 67.A O.B no hydrogen 2.831 N/A TRP 247.A NE1 ASP 245.A OD1 no hydrogen 3.030 N/A ARG 248.A N GLU 109.A OE2 no hydrogen 2.884 N/A ARG 248.A NH1 GLN 31.A OE1 no hydrogen 2.788 N/A ARG 248.A NH1 SER 32.A O no hydrogen 2.744 N/A ARG 248.A NH2 GLN 31.A OE1 no hydrogen 3.058 N/A GLN 251.A N PRO 33.A O no hydrogen 2.590 N/A GLN 251.A NE2 PRO 249.A O no hydrogen 2.826 N/A ARG 256.A N LEU 253.A O no hydrogen 3.197 N/A ARG 256.A NE LEU 253.A O no hydrogen 2.912 N/A ARG 256.A NH1 GLN 31.A O no hydrogen 3.064 N/A ARG 256.A NH1 PRO 197.A O no hydrogen 2.972 N/A ARG 256.A NH2 GLN 31.A O no hydrogen 2.834 N/A ARG 256.A NH2 PRO 252.A O no hydrogen 2.778 N/A LYS 259.A N THR 195.A O no hydrogen 3.042 N/A LYS 259.A NZ ASP 44.A OD2 no hydrogen 3.135 N/A ALA 260.A N LYS 42.A O no hydrogen 2.909 N/A SER 261.A N TYR 193.A O no hydrogen 2.900 N/A SER 261.A OG TYR 193.A O no hydrogen 3.200 N/A