Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pqi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG LYS 215.A O no hydrogen 2.918 N/A ALA 4.A N THR 1.A OG1 no hydrogen 3.271 N/A LEU 5.A N ALA 2.A O no hydrogen 3.245 N/A LYS 7.A N PHE 51.A O no hydrogen 2.956 N/A SER 8.A N ASP 6.A OD1 no hydrogen 2.958 N/A SER 8.A OG ASP 6.A OD1 no hydrogen 2.983 N/A SER 8.A OG ASP 6.A OD2 no hydrogen 3.222 N/A VAL 9.A N GLN 55.A OE1 no hydrogen 2.828 N/A LEU 17.A N PRO 62.A O no hydrogen 2.744 N/A THR 20.A N ASP 18.A OD1 no hydrogen 2.921 N/A THR 20.A OG1 ASP 18.A OD1 no hydrogen 2.906 N/A ALA 21.A N ASP 18.A O no hydrogen 2.995 N/A PHE 27.A N GLU 86.A OE2 no hydrogen 2.617 N/A THR 30.A N ASP 28.A OD1 no hydrogen 3.099 N/A THR 30.A OG1 ASP 28.A OD2 no hydrogen 3.463 N/A THR 31.A OG1 HIS 87.A ND1 no hydrogen 2.938 N/A LYS 32.A N GLU 86.A O no hydrogen 3.031 N/A LYS 32.A NZ PRO 25.A O no hydrogen 2.691 N/A LYS 32.A NZ ASP 28.A OD1 no hydrogen 2.895 N/A LYS 32.A NZ THR 30.A O no hydrogen 3.158 N/A LYS 32.A NZ GLU 86.A OE1 no hydrogen 3.487 N/A LYS 32.A NZ GLU 86.A OE2 no hydrogen 3.081 N/A LEU 33.A N LYS 59.A O no hydrogen 2.721 N/A TYR 34.A N SER 84.A O no hydrogen 2.914 N/A TYR 34.A OH GLU 86.A OE1 no hydrogen 2.763 N/A THR 35.A N VAL 61.A O no hydrogen 2.953 N/A THR 35.A OG1 CYS 36.A O no hydrogen 3.560 N/A CYS 36.A SG THR 38.A OG1 no hydrogen 3.671 N/A CYS 36.A SG LEU 63.A O no hydrogen 3.971 N/A TYR 37.A OH ALA 14.A O no hydrogen 2.772 N/A CYS 39.A N CYS 36.A O no hydrogen 3.049 N/A CYS 39.A SG VAL 82.A O no hydrogen 3.959 N/A GLN 43.A N CYS 39.A O no hydrogen 2.851 N/A GLN 43.A NE2 GLU 185.A OE1 no hydrogen 3.090 N/A GLN 43.A NE2 THR 222.A OG1 no hydrogen 2.903 N/A ARG 44.A N PRO 40.A O no hydrogen 3.328 N/A ARG 44.A NE ALA 179.A O no hydrogen 2.777 N/A ARG 44.A NH1 SER 95.A OG no hydrogen 2.873 N/A ARG 44.A NH2 ALA 179.A O no hydrogen 3.229 N/A TRP 46.A N ALA 42.A O no hydrogen 2.924 N/A ILE 47.A N GLN 43.A O no hydrogen 2.912 N/A THR 48.A N ARG 44.A O no hydrogen 3.249 N/A THR 48.A OG1 ARG 44.A O no hydrogen 3.026 N/A ARG 49.A N VAL 45.A O no hydrogen 2.847 N/A ARG 49.A NE ILE 58.A O no hydrogen 2.695 N/A ARG 49.A NH1 GLU 11.A OE1 no hydrogen 3.313 N/A ARG 49.A NH1 GLU 11.A OE2 no hydrogen 2.928 N/A ARG 49.A NH2 GLU 11.A OE1 no hydrogen 2.550 N/A ARG 49.A NH2 GLN 55.A O no hydrogen 2.973 N/A ARG 49.A NH2 ILE 58.A O no hydrogen 3.189 N/A ASN 50.A N TRP 46.A O no hydrogen 3.042 N/A ASN 50.A ND2 ALA 218.A O no hydrogen 3.309 N/A PHE 51.A N ILE 47.A O no hydrogen 2.896 N/A LYS 52.A N THR 48.A O no hydrogen 3.107 N/A LYS 52.A NZ GLU 103.A OE1 no hydrogen 2.813 N/A LYS 52.A NZ GLY 108.A O no hydrogen 3.569 N/A LYS 52.A NZ PRO 109.A O no hydrogen 2.944 N/A GLY 53.A N ASN 50.A O no hydrogen 2.988 N/A LEU 54.A N ARG 49.A O no hydrogen 2.815 N/A GLN 55.A NE2 VAL 9.A O no hydrogen 2.803 N/A GLN 55.A NE2 GLU 11.A OE2 no hydrogen 3.046 N/A GLU 57.A N GLU 57.A OE1 no hydrogen 2.689 N/A ILE 58.A N LEU 54.A O no hydrogen 2.940 N/A LYS 59.A N THR 31.A O no hydrogen 2.874 N/A LYS 59.A NZ ASP 56.A O no hydrogen 3.209 N/A VAL 61.A N LEU 33.A O no hydrogen 2.918 N/A LEU 63.A N THR 35.A O no hydrogen 2.785 N/A ILE 64.A N LEU 17.A O no hydrogen 3.145 N/A ASN 67.A N ILE 64.A O no hydrogen 3.020 N/A ARG 68.A NE LEU 65.A O no hydrogen 3.049 N/A ARG 68.A NH1 ASN 80.A OD1 no hydrogen 2.864 N/A ARG 68.A NH2 LEU 65.A O no hydrogen 3.005 N/A TRP 71.A NE1 ALA 21.A O no hydrogen 2.890 N/A TYR 72.A N PRO 69.A O no hydrogen 3.138 N/A TYR 72.A OH LYS 81.A O no hydrogen 2.710 N/A TYR 72.A OH SER 84.A OG no hydrogen 2.866 N/A GLU 74.A N ALA 70.A O no hydrogen 3.175 N/A LYS 75.A N TRP 71.A O no hydrogen 2.741 N/A VAL 76.A N TYR 72.A O no hydrogen 3.030 N/A TYR 77.A N TYR 72.A O no hydrogen 2.741 N/A ASN 80.A N TYR 77.A O no hydrogen 2.860 N/A SER 84.A N TYR 34.A O no hydrogen 3.189 N/A SER 84.A OG TYR 72.A OH no hydrogen 2.866 N/A LEU 85.A N THR 92.A O no hydrogen 2.716 N/A GLU 86.A N LYS 32.A O no hydrogen 2.704 N/A HIS 87.A N LYS 90.A O no hydrogen 3.018 N/A HIS 87.A ND1 THR 31.A OG1 no hydrogen 2.938 N/A LYS 90.A N HIS 87.A O no hydrogen 3.264 N/A LYS 90.A NZ ASN 88.A O no hydrogen 3.510 N/A THR 92.A N LEU 85.A O no hydrogen 2.821 N/A LEU 98.A N GLU 94.A O no hydrogen 2.896 N/A ILE 99.A N SER 95.A O no hydrogen 3.056 N/A LYS 100.A N LEU 96.A O no hydrogen 3.164 N/A TYR 101.A N ASP 97.A O no hydrogen 3.004 N/A LEU 102.A N LEU 98.A O no hydrogen 2.937 N/A GLU 103.A N ILE 99.A O no hydrogen 3.110 N/A SER 104.A N LYS 100.A O no hydrogen 2.927 N/A SER 104.A OG LYS 100.A O no hydrogen 3.171 N/A SER 104.A OG TYR 101.A O no hydrogen 3.341 N/A SER 104.A OG ASN 105.A OD1 no hydrogen 2.484 N/A ASN 105.A N TYR 101.A O no hydrogen 2.961 N/A PHE 106.A N LEU 102.A O no hydrogen 3.124 N/A SER 110.A OG GLU 103.A OE2 no hydrogen 2.985 N/A SER 110.A OG LEU 112.A O no hydrogen 2.977 N/A LEU 111.A N GLU 103.A OE1 no hydrogen 2.735 N/A LEU 111.A N GLU 103.A OE2 no hydrogen 3.201 N/A ALA 117.A N ASP 115.A OD1 no hydrogen 2.971 N/A LYS 118.A NZ ASP 164.A OD1 no hydrogen 2.732 N/A LYS 118.A NZ LEU 169.A O no hydrogen 2.992 N/A LYS 119.A N ASP 115.A O no hydrogen 2.957 N/A GLU 120.A N PRO 116.A O no hydrogen 3.058 N/A PHE 121.A N ALA 117.A O no hydrogen 3.118 N/A ALA 122.A N LYS 118.A O no hydrogen 2.878 N/A GLU 123.A N LYS 119.A O no hydrogen 3.266 N/A GLU 124.A N GLU 120.A O no hydrogen 3.201 N/A LEU 125.A N PHE 121.A O no hydrogen 2.986 N/A PHE 126.A N ALA 122.A O no hydrogen 2.883 N/A SER 127.A N GLU 123.A O no hydrogen 3.042 N/A SER 127.A OG GLU 123.A O no hydrogen 3.121 N/A TYR 128.A N GLU 124.A O no hydrogen 3.100 N/A THR 129.A N PHE 126.A O no hydrogen 3.141 N/A THR 129.A OG1 PHE 126.A O no hydrogen 2.867 N/A PHE 132.A N TYR 128.A O no hydrogen 2.834 N/A ASN 133.A N THR 129.A O no hydrogen 3.065 N/A GLY 134.A N ASP 130.A O no hydrogen 2.763 N/A THR 135.A N LYS 131.A O no hydrogen 2.907 N/A THR 135.A OG1 LYS 131.A O no hydrogen 2.778 N/A VAL 136.A N PHE 132.A O no hydrogen 3.123 N/A TYR 137.A N ASN 133.A O no hydrogen 2.989 N/A TYR 137.A OH TYR 233.A OH no hydrogen 2.625 N/A THR 138.A OG1 GLY 134.A O no hydrogen 2.634 N/A THR 138.A OG1 THR 135.A O no hydrogen 3.127 N/A ALA 139.A N VAL 136.A O no hydrogen 2.979 N/A LYS 141.A NZ PHE 237.A O no hydrogen 3.486 N/A GLY 142.A N ALA 139.A O no hydrogen 3.061 N/A LYS 146.A N ASP 143.A O no hydrogen 3.178 N/A GLU 147.A N ASP 143.A O no hydrogen 2.846 N/A ALA 148.A N LEU 144.A O no hydrogen 2.658 N/A GLY 149.A N LEU 144.A O no hydrogen 2.901 N/A ALA 151.A N ALA 148.A O no hydrogen 3.022 N/A PHE 152.A N ALA 148.A O no hydrogen 3.317 N/A ASP 153.A N GLY 149.A O no hydrogen 2.781 N/A HIS 154.A N PRO 150.A O no hydrogen 2.963 N/A LEU 155.A N ALA 151.A O no hydrogen 3.306 N/A GLU 156.A N PHE 152.A O no hydrogen 2.868 N/A ASN 157.A N ASP 153.A O no hydrogen 2.781 N/A ALA 158.A N HIS 154.A O no hydrogen 2.902 N/A LEU 159.A N LEU 155.A O no hydrogen 3.085 N/A HIS 160.A N ASN 157.A O no hydrogen 2.951 N/A LYS 161.A N ALA 158.A O no hydrogen 3.034 N/A PHE 167.A N GLY 170.A O no hydrogen 3.092 N/A PHE 168.A N ASP 177.A OD1 no hydrogen 2.996 N/A GLY 170.A N PHE 167.A O no hydrogen 2.852 N/A LYS 171.A N ASP 164.A OD1 no hydrogen 2.929 N/A GLU 172.A N GLU 172.A OE1 no hydrogen 2.671 N/A SER 174.A N ASP 177.A OD2 no hydrogen 2.847 N/A SER 174.A OG ASP 177.A OD2 no hydrogen 3.475 N/A LEU 175.A N LEU 111.A O no hydrogen 2.809 N/A VAL 176.A N SER 174.A OG no hydrogen 3.189 N/A ILE 178.A N SER 174.A O no hydrogen 3.219 N/A ALA 179.A N LEU 175.A O no hydrogen 2.816 N/A TYR 180.A N VAL 176.A O no hydrogen 3.241 N/A TYR 180.A N ASP 177.A O no hydrogen 3.242 N/A TYR 180.A OH LEU 125.A O no hydrogen 2.700 N/A ILE 181.A N ASP 177.A O no hydrogen 2.989 N/A PHE 183.A N TYR 180.A O no hydrogen 3.003 N/A VAL 184.A N TYR 180.A O no hydrogen 3.024 N/A GLU 185.A N ILE 181.A O no hydrogen 2.805 N/A ARG 186.A N PRO 182.A O no hydrogen 3.357 N/A ARG 186.A NH1 GLN 43.A OE1 no hydrogen 2.662 N/A ARG 186.A NH1 PRO 182.A O no hydrogen 2.774 N/A ARG 186.A NH2 THR 38.A O no hydrogen 3.057 N/A ARG 186.A NH2 GLN 43.A OE1 no hydrogen 3.162 N/A LEU 187.A N PHE 183.A O no hydrogen 2.801 N/A ASN 188.A N VAL 184.A O no hydrogen 2.794 N/A ILE 189.A N GLU 185.A O no hydrogen 3.349 N/A PHE 190.A N ARG 186.A O no hydrogen 2.934 N/A LEU 191.A N LEU 187.A O no hydrogen 2.889 N/A LEU 192.A N ASN 188.A O no hydrogen 3.259 N/A GLU 193.A N ILE 189.A O no hydrogen 3.013 N/A VAL 194.A N PHE 190.A O no hydrogen 2.895 N/A PHE 195.A N LEU 191.A O no hydrogen 2.896 N/A LYS 196.A N LEU 192.A O no hydrogen 3.209 N/A TYR 197.A N LEU 191.A O no hydrogen 3.024 N/A THR 200.A N ASP 198.A OD1 no hydrogen 2.840 N/A THR 200.A OG1 ASP 198.A OD1 no hydrogen 2.594 N/A THR 200.A OG1 ASP 198.A OD2 no hydrogen 3.229 N/A ALA 201.A N ASP 198.A O no hydrogen 3.250 N/A ARG 203.A N THR 200.A O no hydrogen 3.149 N/A ARG 203.A NE ASP 153.A OD1 no hydrogen 2.708 N/A ARG 203.A NH1 TYR 197.A OH no hydrogen 3.453 N/A ARG 203.A NH1 ILE 199.A O no hydrogen 2.858 N/A ARG 203.A NH2 ASP 153.A OD1 no hydrogen 3.010 N/A ARG 203.A NH2 TYR 197.A OH no hydrogen 3.296 N/A LYS 205.A N GLU 156.A OE2 no hydrogen 2.993 N/A LEU 206.A N GLU 156.A OE1 no hydrogen 2.757 N/A ALA 207.A N ARG 203.A O no hydrogen 3.045 N/A ALA 208.A N GLN 204.A O no hydrogen 3.038 N/A TRP 209.A N LYS 205.A O no hydrogen 2.931 N/A TRP 209.A NE1 ASP 177.A OD1 no hydrogen 2.737 N/A ILE 210.A N LEU 206.A O no hydrogen 2.968 N/A GLU 211.A N ALA 207.A O no hydrogen 3.164 N/A GLU 212.A N ALA 208.A O no hydrogen 2.888 N/A VAL 213.A N TRP 209.A O no hydrogen 2.880 N/A ASN 214.A N ILE 210.A O no hydrogen 2.997 N/A ASN 214.A ND2 ILE 210.A O no hydrogen 2.849 N/A LYS 215.A N GLU 212.A O no hydrogen 3.269 N/A LYS 215.A NZ GLU 212.A OE1 no hydrogen 3.107 N/A LYS 215.A NZ GLU 212.A OE2 no hydrogen 3.046 N/A ILE 216.A N VAL 213.A O no hydrogen 3.081 N/A ALA 218.A N ASP 6.A OD2 no hydrogen 2.767 N/A TYR 219.A N ILE 216.A O no hydrogen 3.001 N/A TYR 219.A OH GLU 185.A OE1 no hydrogen 2.624 N/A LYS 220.A N ILE 216.A O no hydrogen 3.063 N/A LYS 220.A NZ GLU 217.A OE2 no hydrogen 2.720 N/A GLN 221.A N GLU 217.A O no hydrogen 3.130 N/A THR 222.A N TYR 219.A O no hydrogen 2.865 N/A THR 222.A OG1 TYR 219.A O no hydrogen 2.709 N/A LYS 223.A N LYS 220.A O no hydrogen 3.290 N/A LYS 223.A NZ ASN 214.A OD1 no hydrogen 2.678 N/A THR 224.A N GLU 185.A OE2 no hydrogen 3.155 N/A LYS 227.A N ASP 225.A OD2 no hydrogen 3.133 N/A LEU 229.A N ASP 225.A O no hydrogen 2.910 N/A VAL 230.A N PRO 226.A O no hydrogen 3.120 N/A GLU 231.A N LYS 227.A O no hydrogen 3.235 N/A PHE 232.A N GLU 228.A O no hydrogen 3.060 N/A TYR 233.A N LEU 229.A O no hydrogen 2.878 N/A TYR 233.A OH TYR 137.A OH no hydrogen 2.625 N/A LYS 234.A N VAL 230.A O no hydrogen 2.869 N/A LYS 235.A N GLU 231.A O no hydrogen 3.090 N/A ARG 236.A N PHE 232.A O no hydrogen 2.915 N/A ARG 236.A NH1 ARG 236.A O no hydrogen 3.206 N/A PHE 237.A N TYR 233.A O no hydrogen 2.911 N/A LEU 238.A N LYS 234.A O no hydrogen 2.922 N/A