Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6xxt_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A N GLY 1.A O no hydrogen 3.031 N/A GLY 7.A N ASN 12.A O no hydrogen 2.923 N/A GLY 9.A N ASN 12.A OD1 no hydrogen 2.859 N/A ASN 12.A N GLY 9.A O no hydrogen 3.365 N/A ASN 12.A ND2 HIS 5.A O no hydrogen 3.261 N/A HIS 16.A N GLY 13.A O no hydrogen 2.804 N/A HIS 16.A NE2 LYS 10.A O no hydrogen 3.022 N/A TRP 17.A N PRO 14.A O no hydrogen 3.414 N/A TRP 17.A NE1 GLY 7.A O no hydrogen 3.063 N/A TRP 17.A NE1 ASN 12.A O no hydrogen 3.115 N/A LYS 19.A N HIS 16.A O no hydrogen 3.167 N/A LYS 19.A NZ HIS 16.A ND1 no hydrogen 2.865 N/A ASP 20.A N TRP 17.A O no hydrogen 3.242 N/A PHE 21.A N TRP 17.A O no hydrogen 2.880 N/A ALA 24.A N PHE 21.A O no hydrogen 2.865 N/A LYS 25.A N PRO 22.A O no hydrogen 3.170 N/A GLY 26.A N ILE 23.A O.A no hydrogen 2.765 N/A GLY 26.A N ILE 23.A O.B no hydrogen 2.718 N/A ARG 28.A N GLU 205.A OE2 no hydrogen 2.967 N/A ARG 28.A NE GLY 196.A O no hydrogen 2.970 N/A ARG 28.A NH1 PRO 138.A O no hydrogen 3.310 N/A ARG 28.A NH2 PRO 138.A O no hydrogen 3.134 N/A ARG 28.A NH2 GLY 196.A O no hydrogen 2.932 N/A ARG 28.A NH2 VAL 207.A O no hydrogen 3.054 N/A GLN 29.A NE2 LEU 203.A O no hydrogen 3.100 N/A GLN 29.A NE2 GLU 205.A OE2 no hydrogen 3.051 N/A SER 30.A N SER 197.A OG no hydrogen 2.869 N/A SER 30.A OG TYR 194.A OH no hydrogen 2.794 N/A SER 30.A OG SER 197.A O no hydrogen 3.512 N/A ILE 34.A N THR 109.A O no hydrogen 2.780 N/A THR 36.A N ASP 111.A OD1 no hydrogen 2.819 N/A THR 36.A OG1 ASP 111.A OD1 no hydrogen 3.356 N/A THR 36.A OG1 ASP 111.A OD2 no hydrogen 2.662 N/A HIS 37.A N ASP 35.A OD1.A no hydrogen 3.077 N/A THR 38.A N ASP 35.A O.A no hydrogen 3.172 N/A THR 38.A N ASP 35.A O.B no hydrogen 3.207 N/A THR 38.A N ASP 35.A OD1.A no hydrogen 3.163 N/A THR 38.A OG1 ASP 35.A OD1.B no hydrogen 2.654 N/A ALA 39.A N ASP 35.A O.A no hydrogen 3.029 N/A ALA 39.A N ASP 35.A O.B no hydrogen 3.043 N/A LYS 40.A N ILE 256.A O no hydrogen 3.323 N/A ASP 42.A N ALA 258.A O no hydrogen 2.945 N/A SER 44.A N ASP 42.A OD1 no hydrogen 3.042 N/A SER 44.A OG ASP 42.A OD1 no hydrogen 2.524 N/A SER 44.A OG ASP 42.A OD2 no hydrogen 3.296 N/A LEU 45.A N ASP 42.A O no hydrogen 3.261 N/A LYS 46.A N GLY 83.A O no hydrogen 3.271 N/A SER 49.A N LYS 81.A O no hydrogen 2.839 N/A SER 51.A N.A VAL 79.A O no hydrogen 2.888 N/A SER 51.A N.B VAL 79.A O no hydrogen 2.869 N/A TYR 52.A OH HIS 123.A NE2 no hydrogen 2.733 N/A GLN 54.A NE2 ASP 53.A OD2 no hydrogen 3.375 N/A ALA 55.A N TYR 52.A O no hydrogen 3.025 N/A THR 56.A OG1 GLN 54.A O no hydrogen 3.524 N/A SER 57.A OG PHE 176.A O no hydrogen 2.641 N/A LEU 58.A N GLU 70.A O no hydrogen 2.826 N/A ARG 59.A NE GLU 70.A OE1 no hydrogen 2.815 N/A ARG 59.A NH2 GLU 70.A OE1 no hydrogen 3.316 N/A ARG 59.A NH2 GLU 70.A OE2 no hydrogen 2.891 N/A ILE 60.A N ALA 174.A O no hydrogen 2.934 N/A LEU 61.A N ASN 68.A O no hydrogen 2.912 N/A ASN 62.A N LYS 172.A O no hydrogen 2.936 N/A ASN 62.A ND2 ILE 167.A O no hydrogen 3.089 N/A ASN 62.A ND2 ASN 230.A O no hydrogen 3.190 N/A ASN 63.A N ALA 66.A O no hydrogen 3.122 N/A GLY 64.A N ASN 62.A OD1 no hydrogen 2.818 N/A HIS 65.A N ASN 63.A OD1 no hydrogen 2.855 N/A ALA 66.A N ASN 63.A OD1 no hydrogen 2.917 N/A ASN 68.A N LEU 61.A O no hydrogen 2.819 N/A VAL 69.A N PHE 94.A O no hydrogen 2.857 N/A GLU 70.A N ARG 59.A O no hydrogen 2.846 N/A PHE 71.A N ILE 92.A O no hydrogen 2.932 N/A ASP 72.A N THR 56.A O no hydrogen 2.858 N/A SER 74.A N ASP 72.A OD1 no hydrogen 2.962 N/A SER 74.A OG ASP 72.A OD1 no hydrogen 2.670 N/A SER 74.A OG ASP 72.A OD2 no hydrogen 3.523 N/A LYS 77.A NZ THR 56.A OG1 no hydrogen 3.154 N/A LYS 77.A NZ ASP 72.A OD2 no hydrogen 2.794 N/A VAL 79.A N SER 51.A O.A no hydrogen 3.017 N/A VAL 79.A N SER 51.A O.B no hydrogen 2.924 N/A LEU 80.A N TYR 89.A O no hydrogen 2.782 N/A LYS 81.A N SER 49.A O no hydrogen 2.965 N/A GLY 83.A N PRO 47.A O no hydrogen 2.920 N/A LEU 85.A N GLY 82.A O no hydrogen 2.933 N/A TYR 89.A N LEU 80.A O no hydrogen 2.988 N/A TYR 89.A OH ASP 139.A O no hydrogen 3.012 N/A ARG 90.A N TRP 124.A O no hydrogen 2.807 N/A ARG 90.A NE ASP 76.A OD1 no hydrogen 2.777 N/A ARG 90.A NH1 ASP 73.A O no hydrogen 3.013 N/A ARG 90.A NH2 ASP 76.A OD1 no hydrogen 2.759 N/A LEU 91.A N ALA 78.A O no hydrogen 2.869 N/A ILE 92.A N VAL 122.A O no hydrogen 2.943 N/A PHE 94.A N VAL 69.A O no hydrogen 2.928 N/A HIS 95.A N HIS 120.A O no hydrogen 3.059 N/A HIS 95.A ND1 GLN 93.A OE1 no hydrogen 2.778 N/A HIS 97.A N GLU 118.A O no hydrogen 2.926 N/A HIS 97.A ND1 ASN 244.A O no hydrogen 2.735 N/A HIS 97.A NE2 HIS 120.A ND1 no hydrogen 3.067 N/A TRP 98.A N ASN 244.A OD1 no hydrogen 2.815 N/A TRP 98.A NE1 MET 241.A O no hydrogen 2.823 N/A SER 100.A N ASP 243.A OD1 no hydrogen 3.037 N/A SER 100.A OG ASP 243.A OD2 no hydrogen 2.647 N/A GLN 104.A N LEU 101.A O no hydrogen 3.315 N/A GLN 104.A NE2 ASP 243.A OD1 no hydrogen 2.870 N/A GLN 104.A NE2 ASP 243.A OD2 no hydrogen 3.393 N/A SER 106.A N TYR 115.A O no hydrogen 2.963 N/A SER 106.A OG HIS 108.A O no hydrogen 2.773 N/A GLU 107.A N GLU 118.A OE1 no hydrogen 2.809 N/A HIS 108.A N GLU 118.A OE1 no hydrogen 2.832 N/A HIS 108.A ND1 GLU 118.A OE2 no hydrogen 2.766 N/A HIS 108.A NE2 TYR 194.A OH no hydrogen 2.633 N/A THR 109.A N VAL 32.A O no hydrogen 3.463 N/A THR 109.A OG1 ASP 33.A OD1 no hydrogen 2.663 N/A VAL 110.A N LYS 113.A O no hydrogen 3.071 N/A ASP 111.A N ILE 34.A O no hydrogen 2.863 N/A LYS 112.A N ASP 33.A OD1 no hydrogen 2.788 N/A LYS 113.A N VAL 110.A O no hydrogen 2.859 N/A TYR 115.A N SER 106.A OG no hydrogen 2.939 N/A ALA 116.A N LEU 148.A O no hydrogen 3.096 N/A ALA 117.A N LEU 148.A O no hydrogen 3.367 N/A GLU 118.A N HIS 97.A O no hydrogen 2.898 N/A LEU 119.A N ILE 146.A O no hydrogen 2.774 N/A HIS 120.A N HIS 95.A O no hydrogen 2.847 N/A HIS 120.A NE2 GLU 118.A OE2 no hydrogen 2.730 N/A LEU 121.A N LEU 144.A O no hydrogen 2.897 N/A VAL 122.A N GLN 93.A O no hydrogen 2.839 N/A HIS 123.A N ALA 142.A O no hydrogen 2.935 N/A HIS 123.A ND1 ALA 142.A O no hydrogen 3.002 N/A HIS 123.A NE2 TYR 52.A OH no hydrogen 2.733 N/A TRP 124.A N ARG 90.A O no hydrogen 2.919 N/A TRP 124.A NE1 ASP 73.A OD2 no hydrogen 2.826 N/A ASN 125.A N GLY 140.A O no hydrogen 2.795 N/A ASN 125.A ND2 ASP 139.A O no hydrogen 3.078 N/A THR 126.A N THR 88.A O no hydrogen 2.971 N/A THR 126.A OG1 THR 88.A O no hydrogen 3.251 N/A LYS 127.A N ASN 125.A OD1 no hydrogen 3.136 N/A LYS 127.A NZ ASP 139.A OD2 no hydrogen 2.982 N/A TYR 128.A N ASN 125.A O no hydrogen 3.070 N/A TYR 128.A OH ASP 139.A OD1 no hydrogen 2.590 N/A GLY 129.A N THR 126.A O no hydrogen 3.135 N/A ASP 130.A N TYR 128.A O no hydrogen 2.930 N/A LYS 133.A N ASP 130.A OD1 no hydrogen 2.788 N/A ALA 134.A N ASP 130.A O no hydrogen 2.954 N/A VAL 135.A N PHE 131.A O no hydrogen 3.035 N/A GLN 136.A N LYS 133.A O no hydrogen 3.098 N/A GLN 136.A NE2 GLY 132.A O no hydrogen 3.120 N/A GLN 137.A N ALA 134.A O no hydrogen 2.995 N/A GLN 137.A NE2 LYS 133.A O no hydrogen 3.211 N/A GLY 140.A N GLN 137.A O no hydrogen 3.107 N/A LEU 141.A N CYS 206.A O no hydrogen 2.853 N/A ALA 142.A N HIS 123.A O no hydrogen 2.887 N/A VAL 143.A N THR 208.A O no hydrogen 3.124 N/A LEU 144.A N LEU 121.A O no hydrogen 2.965 N/A GLY 145.A N ILE 210.A O no hydrogen 2.806 N/A ILE 146.A N LEU 119.A O no hydrogen 2.891 N/A LEU 148.A N ALA 117.A O no hydrogen 2.916 N/A LYS 149.A N ILE 216.A O no hydrogen 2.924 N/A GLY 151.A N VAL 218.A O no hydrogen 2.781 N/A LYS 154.A N GLN 222.A OE1 no hydrogen 3.017 N/A LYS 154.A NZ LEU 185.A O no hydrogen 3.281 N/A LEU 157.A N LYS 154.A O no hydrogen 3.019 N/A GLN 158.A N PRO 155.A O no hydrogen 3.134 N/A GLN 158.A NE2 ASP 162.A OD1 no hydrogen 2.993 N/A GLN 158.A NE2 ASP 162.A OD2 no hydrogen 3.434 N/A LYS 159.A NZ ASN 178.A O no hydrogen 3.239 N/A VAL 161.A N LEU 157.A O no hydrogen 3.163 N/A ASP 162.A N GLN 158.A O no hydrogen 2.924 N/A VAL 163.A N VAL 160.A O no hydrogen 3.165 N/A LEU 164.A N VAL 161.A O no hydrogen 3.284 N/A SER 166.A N.A VAL 163.A O no hydrogen 2.990 N/A SER 166.A N.B VAL 163.A O no hydrogen 2.978 N/A SER 166.A OG.A VAL 163.A O no hydrogen 2.685 N/A ILE 167.A N LEU 164.A O no hydrogen 3.011 N/A LYS 170.A N ASN 232.A O no hydrogen 2.920 N/A LYS 170.A NZ ASN 63.A O no hydrogen 2.781 N/A GLY 171.A N ASN 62.A O no hydrogen 2.783 N/A LYS 172.A N THR 169.A O no hydrogen 3.131 N/A ALA 174.A N ILE 60.A O no hydrogen 2.892 N/A PHE 176.A N LEU 58.A O no hydrogen 2.954 N/A PHE 179.A N SER 57.A OG no hydrogen 2.896 N/A ARG 182.A N ASP 180.A OD1 no hydrogen 2.994 N/A ARG 182.A NE ASP 180.A OD1 no hydrogen 2.980 N/A ARG 182.A NE ASP 180.A OD2 no hydrogen 3.167 N/A ARG 182.A NH2 ASP 180.A OD2 no hydrogen 2.900 N/A GLY 183.A N ASP 180.A O no hydrogen 3.130 N/A LEU 184.A N PRO 181.A O no hydrogen 3.015 N/A LEU 185.A N ARG 182.A O no hydrogen 3.357 N/A GLU 187.A N.A GLU 214.A OE2 no hydrogen 3.272 N/A GLU 187.A N.B GLU 214.A OE2 no hydrogen 3.239 N/A SER 188.A N GLU 214.A OE1 no hydrogen 2.901 N/A ASP 190.A N SER 188.A OG no hydrogen 3.047 N/A TYR 191.A N SER 259.A OG no hydrogen 2.933 N/A TRP 192.A N VAL 211.A O no hydrogen 2.860 N/A THR 193.A N LYS 257.A O no hydrogen 2.860 N/A THR 193.A OG1 TRP 209.A O no hydrogen 2.752 N/A TYR 194.A N TRP 209.A O no hydrogen 3.232 N/A TYR 194.A OH SER 30.A OG no hydrogen 2.794 N/A TYR 194.A OH HIS 108.A NE2 no hydrogen 2.633 N/A GLY 196.A N VAL 207.A O no hydrogen 2.801 N/A SER 197.A N SER 30.A OG no hydrogen 2.931 N/A SER 197.A OG LEU 198.A O no hydrogen 2.758 N/A LEU 198.A N LEU 204.A O no hydrogen 2.899 N/A THR 199.A OG1 GLU 107.A OE1 no hydrogen 2.635 N/A THR 199.A OG1 GLU 107.A OE2 no hydrogen 3.478 N/A THR 200.A OG1 PRO 201.A O no hydrogen 3.011 N/A LEU 203.A N THR 200.A O no hydrogen 2.805 N/A CYS 206.A SG LEU 204.A O no hydrogen 3.719 N/A VAL 207.A N GLY 196.A O no hydrogen 3.267 N/A THR 208.A N LEU 141.A O no hydrogen 2.883 N/A TRP 209.A N TYR 194.A O no hydrogen 2.991 N/A TRP 209.A NE1 SER 197.A O no hydrogen 2.919 N/A ILE 210.A N VAL 143.A O no hydrogen 2.994 N/A VAL 211.A N TRP 192.A O no hydrogen 2.824 N/A LEU 212.A N GLY 145.A O no hydrogen 2.867 N/A LYS 213.A N ASP 190.A O no hydrogen 2.957 N/A ILE 216.A N PHE 147.A O no hydrogen 2.864 N/A SER 217.A OG.B SER 152.A O.A no hydrogen 2.844 N/A SER 217.A OG.B SER 152.A O.B no hydrogen 2.807 N/A VAL 218.A N LYS 149.A O no hydrogen 2.895 N/A SER 219.A N GLN 222.A OE1 no hydrogen 3.048 N/A SER 219.A OG GLU 221.A OE1 no hydrogen 3.550 N/A SER 220.A OG.A GLU 221.A OE1 no hydrogen 3.499 N/A GLU 221.A N GLU 221.A OE1 no hydrogen 2.888 N/A GLN 222.A N SER 219.A OG no hydrogen 3.227 N/A GLN 222.A NE2 LYS 154.A O no hydrogen 3.031 N/A GLN 222.A NE2 GLN 158.A OE1 no hydrogen 2.984 N/A VAL 223.A N SER 219.A O no hydrogen 3.151 N/A LEU 224.A N SER 220.A O.A no hydrogen 2.926 N/A LEU 224.A N SER 220.A O.B no hydrogen 2.891 N/A LYS 225.A N GLU 221.A O no hydrogen 3.258 N/A LYS 225.A N GLN 222.A O no hydrogen 3.259 N/A LYS 225.A NZ VAL 161.A O no hydrogen 2.929 N/A LYS 225.A NZ ASP 165.A OD1 no hydrogen 2.666 N/A PHE 226.A N GLN 222.A O no hydrogen 3.483 N/A ARG 227.A N VAL 223.A O no hydrogen 3.213 N/A ARG 227.A NE GLY 99.A O no hydrogen 2.891 N/A ARG 227.A NH1 ASP 102.A OD1 no hydrogen 3.515 N/A ARG 227.A NH2 ASP 102.A OD1 no hydrogen 2.845 N/A LYS 228.A N LYS 225.A O no hydrogen 3.075 N/A LEU 229.A N PHE 226.A O no hydrogen 3.197 N/A ASN 230.A N LYS 168.A O no hydrogen 2.826 N/A ASN 230.A ND2 GLU 238.A OE2 no hydrogen 2.942 N/A PHE 231.A N GLU 239.A O no hydrogen 2.905 N/A ASN 232.A ND2 ASN 230.A OD1 no hydrogen 3.340 N/A ASN 232.A ND2 GLY 233.A O no hydrogen 3.064 N/A GLY 233.A N GLU 236.A OE1 no hydrogen 2.868 N/A GLU 236.A N GLY 233.A O no hydrogen 3.183 N/A GLU 239.A N ASN 232.A OD1 no hydrogen 2.743 N/A MET 241.A N LEU 229.A O no hydrogen 2.810 N/A ASN 244.A N TRP 98.A O no hydrogen 3.314 N/A ASN 244.A ND2 HIS 65.A O no hydrogen 2.917 N/A TRP 245.A NE1 ASP 243.A OD1 no hydrogen 3.016 N/A ARG 246.A N GLU 107.A OE2 no hydrogen 2.766 N/A ARG 246.A NH1 GLN 29.A OE1 no hydrogen 2.769 N/A ARG 246.A NH1 SER 30.A O no hydrogen 2.842 N/A ARG 246.A NH2 ALA 24.A O no hydrogen 3.151 N/A ARG 246.A NH2 GLN 29.A OE1 no hydrogen 3.368 N/A GLN 249.A N PRO 31.A O no hydrogen 2.794 N/A GLN 249.A NE2 PRO 247.A O no hydrogen 2.873 N/A LYS 252.A NZ GLY 26.A O no hydrogen 2.902 N/A ARG 254.A NE LEU 251.A O no hydrogen 2.825 N/A ARG 254.A NH1 GLN 29.A O no hydrogen 3.026 N/A ARG 254.A NH1 PRO 195.A O no hydrogen 2.904 N/A ARG 254.A NH2 GLN 29.A O no hydrogen 2.822 N/A ARG 254.A NH2 PRO 250.A O no hydrogen 2.892 N/A ARG 254.A NH2 LEU 251.A O no hydrogen 3.518 N/A LYS 257.A N THR 193.A O no hydrogen 2.976 N/A ALA 258.A N LYS 40.A O no hydrogen 2.860 N/A SER 259.A N TYR 191.A O no hydrogen 2.865 N/A SER 259.A OG TYR 191.A O no hydrogen 3.336 N/A