Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1khq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N TYR 166.A O no hydrogen 2.985 N/A TRP 7.A N VAL 164.A O no hydrogen 2.902 N/A TRP 7.A NE1 ILE 125.A O no hydrogen 2.838 N/A ARG 8.A N ASP 6.A OD1 no hydrogen 2.967 N/A ARG 8.A NE ASP 6.A OD1 no hydrogen 3.030 N/A ARG 8.A NE ASP 6.A OD2 no hydrogen 3.319 N/A ARG 8.A NH2 ASP 6.A OD2 no hydrogen 2.845 N/A GLN 9.A N ASP 6.A O no hydrogen 3.013 N/A LYS 10.A N TRP 7.A O no hydrogen 3.238 N/A GLY 11.A N ARG 8.A O no hydrogen 3.247 N/A ALA 12.A N TRP 7.A O no hydrogen 3.161 N/A THR 14.A OG1 GLU 35.A OE1 no hydrogen 2.757 N/A LYS 17.A NZ PRO 15.A O no hydrogen 2.866 N/A LYS 17.A NZ GLU 47.A OE2 no hydrogen 2.846 N/A GLN 19.A N SER 176.A O no hydrogen 2.858 N/A GLN 19.A NE2 CYS 22.A O no hydrogen 3.022 N/A GLY 20.A N ASN 18.A OD1 no hydrogen 2.902 N/A GLY 23.A N CYS 63.A O no hydrogen 2.836 N/A SER 24.A N CYS 22.A O no hydrogen 2.875 N/A SER 24.A OG CYS 22.A O no hydrogen 3.494 N/A SER 24.A OG TYR 88.A OH no hydrogen 2.846 N/A TRP 26.A NE1 GLY 62.A O no hydrogen 3.205 N/A ALA 27.A N SER 24.A O no hydrogen 2.935 N/A PHE 28.A N SER 24.A O no hydrogen 3.291 N/A SER 29.A N CYS 25.A O no hydrogen 2.907 N/A SER 29.A OG SER 131.A OG no hydrogen 2.685 N/A SER 29.A OG VAL 161.A O no hydrogen 2.700 N/A ALA 30.A N TRP 26.A O no hydrogen 3.229 N/A VAL 31.A N ALA 27.A O no hydrogen 3.003 N/A VAL 32.A N PHE 28.A O no hydrogen 3.111 N/A THR 33.A N SER 29.A O no hydrogen 3.493 N/A THR 33.A OG1 ALA 30.A O no hydrogen 2.767 N/A ILE 34.A N ALA 30.A O no hydrogen 3.173 N/A GLU 35.A N VAL 31.A O no hydrogen 2.910 N/A GLY 36.A N VAL 32.A O no hydrogen 3.060 N/A ILE 37.A N THR 33.A O no hydrogen 2.962 N/A ILE 38.A N ILE 34.A O no hydrogen 3.030 N/A LYS 39.A N GLU 35.A O no hydrogen 3.300 N/A LYS 39.A NZ GLY 43.A O no hydrogen 2.917 N/A ILE 40.A N GLY 36.A O no hydrogen 3.069 N/A ARG 41.A N ILE 37.A O no hydrogen 2.983 N/A ARG 41.A NE LYS 211.A O no hydrogen 2.780 N/A THR 42.A N ILE 38.A O no hydrogen 2.844 N/A THR 42.A OG1 ILE 38.A O no hydrogen 2.743 N/A GLY 43.A N LYS 39.A O no hydrogen 2.828 N/A ASN 44.A N THR 42.A OG1 no hydrogen 3.360 N/A TYR 48.A N GLU 35.A OE2 no hydrogen 3.021 N/A SER 49.A N HIS 81.A O no hydrogen 3.045 N/A SER 49.A OG TYR 86.A O no hydrogen 2.707 N/A GLN 51.A NE2 ASP 55.A OD1 no hydrogen 2.929 N/A GLN 51.A NE2 ASP 55.A OD2 no hydrogen 3.487 N/A GLN 51.A NE2 VAL 91.A O no hydrogen 2.875 N/A GLU 52.A N SER 49.A OG no hydrogen 2.964 N/A LEU 54.A N GLU 50.A O no hydrogen 3.035 N/A ASP 55.A N GLN 51.A O no hydrogen 2.894 N/A CYS 56.A N GLU 52.A O no hydrogen 2.864 N/A CYS 56.A SG SER 97.A OG no hydrogen 3.429 N/A ASP 57.A N LEU 53.A O no hydrogen 2.899 N/A ARG 58.A NE.B ASP 55.A O no hydrogen 2.862 N/A ARG 58.A NH1.A CYS 56.A O no hydrogen 3.029 N/A ARG 58.A NH2.B ASP 55.A O no hydrogen 2.707 N/A ARG 59.A N ASP 57.A OD1 no hydrogen 3.142 N/A ARG 59.A NE SER 70.A OG.A no hydrogen 3.024 N/A SER 60.A N ASP 57.A O no hydrogen 3.100 N/A SER 60.A OG ASP 57.A OD2 no hydrogen 2.772 N/A SER 60.A OG SER 70.A OG.B no hydrogen 3.139 N/A TYR 61.A N GLY 65.A O no hydrogen 2.743 N/A TYR 61.A OH TYR 67.A OH no hydrogen 3.044 N/A CYS 63.A SG GLY 90.A O no hydrogen 3.861 N/A ASN 64.A N TYR 61.A O no hydrogen 2.838 N/A ASN 64.A ND2 TYR 61.A O no hydrogen 3.639 N/A GLY 65.A N GLY 62.A O no hydrogen 3.407 N/A TYR 67.A N SER 60.A OG no hydrogen 3.054 N/A TYR 67.A OH TYR 61.A OH no hydrogen 3.044 N/A SER 70.A N TYR 67.A O no hydrogen 3.098 N/A SER 70.A OG.A ASP 57.A OD1 no hydrogen 2.832 N/A SER 70.A OG.A ASP 57.A OD2 no hydrogen 3.011 N/A SER 70.A OG.B ASP 57.A OD2 no hydrogen 2.550 N/A SER 70.A OG.B TYR 67.A O no hydrogen 3.144 N/A ALA 71.A N TYR 67.A O no hydrogen 3.269 N/A LEU 72.A N PRO 68.A O no hydrogen 2.984 N/A GLN 73.A N TRP 69.A O no hydrogen 2.914 N/A LEU 74.A N SER 70.A O no hydrogen 2.911 N/A VAL 75.A N ALA 71.A O no hydrogen 3.210 N/A ALA 76.A N LEU 72.A O no hydrogen 3.197 N/A GLN 77.A N GLN 73.A O no hydrogen 3.227 N/A GLN 77.A N LEU 74.A O no hydrogen 3.186 N/A GLN 77.A NE2 GLN 73.A O no hydrogen 3.634 N/A TYR 78.A N LEU 74.A O no hydrogen 2.869 N/A ILE 80.A N ALA 105.A O no hydrogen 2.920 N/A HIS 81.A N GLU 52.A OE1 no hydrogen 2.743 N/A HIS 81.A NE2 SER 97.A O no hydrogen 3.032 N/A ARG 83.A N GLU 47.A O no hydrogen 2.975 N/A ARG 83.A NE GLU 50.A OE1 no hydrogen 2.700 N/A ARG 83.A NH2 GLU 50.A OE1 no hydrogen 3.179 N/A THR 85.A N TYR 82.A O no hydrogen 3.111 N/A TYR 86.A N TYR 82.A O no hydrogen 3.172 N/A TYR 86.A N ARG 83.A O no hydrogen 3.179 N/A TYR 86.A OH ASP 55.A OD2 no hydrogen 2.563 N/A TYR 88.A OH GLN 19.A O no hydrogen 2.641 N/A TYR 88.A OH SER 24.A OG no hydrogen 2.846 N/A GLU 89.A N GLN 51.A OE1 no hydrogen 2.798 N/A GLN 92.A NE2 LEU 54.A O no hydrogen 2.966 N/A ARG 93.A N ASP 55.A OD1 no hydrogen 2.941 N/A ARG 93.A NH1 GLU 89.A OE1 no hydrogen 2.766 N/A TYR 94.A OH GLU 99.A OE1 no hydrogen 3.256 N/A TYR 94.A OH GLU 99.A OE2 no hydrogen 3.016 N/A CYS 95.A SG SER 97.A OG no hydrogen 3.558 N/A ARG 96.A N TYR 86.A OH no hydrogen 2.975 N/A ARG 96.A NE TYR 94.A O no hydrogen 3.162 N/A ARG 96.A NH1 GLU 89.A OE2 no hydrogen 2.894 N/A ARG 96.A NH2 ASP 55.A OD2 no hydrogen 2.784 N/A ARG 96.A NH2 GLU 89.A OE2 no hydrogen 2.866 N/A SER 97.A OG GLU 52.A OE2 no hydrogen 2.520 N/A LYS 100.A N ARG 96.A O no hydrogen 3.192 N/A LYS 100.A N SER 97.A O no hydrogen 3.317 N/A LYS 100.A NZ THR 85.A O no hydrogen 2.750 N/A GLY 101.A N ARG 98.A O no hydrogen 3.305 N/A ALA 104.A N ILE 80.A O no hydrogen 2.843 N/A ALA 105.A N ILE 80.A O no hydrogen 3.144 N/A LYS 106.A NZ ALA 76.A O no hydrogen 3.101 N/A LYS 106.A NZ THR 107.A O no hydrogen 2.987 N/A ASP 108.A N VAL 210.A O no hydrogen 2.835 N/A GLY 109.A N VAL 210.A O no hydrogen 3.322 N/A ARG 111.A N TYR 208.A O no hydrogen 2.946 N/A VAL 113.A N SER 206.A O no hydrogen 2.804 N/A TYR 116.A N TYR 203.A O no hydrogen 2.973 N/A ALA 120.A N ASN 117.A OD1 no hydrogen 2.897 N/A LEU 121.A N ASN 117.A O no hydrogen 3.283 N/A LEU 122.A N GLU 118.A O no hydrogen 2.967 N/A TYR 123.A N GLY 119.A O no hydrogen 2.974 N/A SER 124.A N ALA 120.A O no hydrogen 3.167 N/A SER 124.A OG ALA 120.A O no hydrogen 3.134 N/A ILE 125.A N LEU 121.A O no hydrogen 2.892 N/A ALA 126.A N LEU 122.A O no hydrogen 2.894 N/A ASN 127.A N SER 124.A O no hydrogen 2.848 N/A ASN 127.A ND2 TYR 123.A O no hydrogen 2.901 N/A GLN 128.A N SER 124.A O no hydrogen 2.980 N/A GLN 128.A NE2 PRO 209.A O no hydrogen 2.968 N/A VAL 130.A N ALA 163.A O no hydrogen 3.105 N/A SER 131.A N PHE 207.A O no hydrogen 2.885 N/A SER 131.A OG SER 29.A OG no hydrogen 2.685 N/A VAL 132.A N VAL 161.A O no hydrogen 3.067 N/A LEU 134.A N HIS 159.A O no hydrogen 2.934 N/A GLU 135.A N CYS 200.A O no hydrogen 2.861 N/A ALA 136.A N ASP 158.A OD1 no hydrogen 2.761 N/A GLN 142.A N GLY 138.A O no hydrogen 3.134 N/A LEU 143.A N LYS 139.A O no hydrogen 2.978 N/A TYR 144.A N PHE 141.A O no hydrogen 3.254 N/A TYR 144.A OH GLY 147.A O no hydrogen 2.566 N/A GLY 147.A N GLU 183.A OE2 no hydrogen 2.768 N/A PHE 149.A N ARG 188.A O no hydrogen 2.838 N/A GLY 154.A N GLU 135.A OE2 no hydrogen 2.900 N/A LYS 156.A N GLU 135.A OE1 no hydrogen 3.168 N/A VAL 157.A N ASN 155.A O no hydrogen 2.948 N/A ASP 158.A N LEU 134.A O no hydrogen 2.913 N/A HIS 159.A N LEU 134.A O no hydrogen 3.111 N/A HIS 159.A NE2 ASN 175.A OD1 no hydrogen 2.798 N/A VAL 161.A N VAL 132.A O no hydrogen 2.878 N/A ALA 162.A N LYS 174.A O no hydrogen 3.384 N/A ALA 163.A N VAL 130.A O no hydrogen 2.785 N/A VAL 164.A N LEU 172.A O no hydrogen 2.857 N/A TYR 166.A N VAL 5.A O no hydrogen 2.939 N/A TYR 166.A OH PRO 2.A O no hydrogen 2.704 N/A GLY 167.A N TYR 170.A O no hydrogen 2.916 N/A TYR 170.A N GLY 167.A O no hydrogen 3.511 N/A ILE 171.A N ILE 189.A O no hydrogen 2.852 N/A LEU 172.A N GLY 165.A O no hydrogen 2.884 N/A ILE 173.A N ILE 187.A O no hydrogen 2.865 N/A LYS 174.A N ALA 162.A O no hydrogen 2.830 N/A LYS 174.A NZ THR 14.A O no hydrogen 2.827 N/A LYS 174.A NZ PRO 15.A O no hydrogen 3.310 N/A ASN 175.A N GLY 185.A O no hydrogen 3.192 N/A SER 176.A N ASN 175.A OD1 no hydrogen 2.845 N/A SER 176.A OG GLN 19.A OE1 no hydrogen 2.710 N/A GLY 178.A N LYS 17.A O no hydrogen 3.004 N/A TRP 181.A NE1 GLN 142.A O no hydrogen 3.106 N/A GLY 182.A N TYR 144.A O no hydrogen 3.297 N/A GLU 183.A N TYR 186.A O no hydrogen 2.828 N/A GLY 185.A N TRP 181.A O no hydrogen 2.772 N/A TYR 186.A N GLU 183.A O no hydrogen 3.064 N/A ILE 187.A N ILE 173.A O no hydrogen 2.953 N/A ARG 188.A N TYR 144.A OH no hydrogen 3.458 N/A ARG 188.A NE GLU 183.A OE1 no hydrogen 2.878 N/A ARG 188.A NH2 GLU 183.A OE2 no hydrogen 2.895 N/A ILE 189.A N ILE 171.A O no hydrogen 2.910 N/A LYS 190.A N PHE 149.A O no hydrogen 2.981 N/A ARG 191.A N ASN 169.A O no hydrogen 3.116 N/A ARG 191.A NE GLY 167.A O no hydrogen 2.880 N/A ARG 191.A NH1 GLU 118.A OE2 no hydrogen 2.880 N/A ARG 191.A NH2 GLY 167.A O no hydrogen 3.514 N/A GLY 192.A N GLU 118.A OE1 no hydrogen 2.908 N/A ASN 195.A N THR 193.A OG1 no hydrogen 3.377 N/A TYR 197.A N ASN 195.A OD1 no hydrogen 2.935 N/A GLY 198.A N ASN 195.A O no hydrogen 2.931 N/A GLY 201.A N GLY 198.A O no hydrogen 2.977 N/A LEU 202.A N VAL 199.A O no hydrogen 3.152 N/A TYR 203.A N TYR 197.A O no hydrogen 2.926 N/A TYR 203.A OH GLU 118.A OE1 no hydrogen 2.558 N/A THR 204.A N GLY 201.A O no hydrogen 3.040 N/A THR 204.A OG1 GLY 201.A O no hydrogen 2.729 N/A PHE 207.A N SER 131.A O no hydrogen 2.952 N/A TYR 208.A N ARG 111.A O no hydrogen 3.008 N/A VAL 210.A N GLY 109.A O no hydrogen 2.993 N/A LYS 211.A NZ LYS 106.A O no hydrogen 2.798 N/A ASN 212.A N ASP 108.A OD2 no hydrogen 2.737 N/A