Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u8u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH ASP 4.A OD1 no hydrogen 2.440 N/A GLN 8.A N ASP 254.A OD2 no hydrogen 2.824 N/A GLN 8.A NE2 THR 10.A O no hydrogen 3.621 N/A SER 11.A N LYS 15.A O no hydrogen 2.874 N/A GLY 14.A N SER 11.A O no hydrogen 2.946 N/A LYS 15.A N SER 11.A OG no hydrogen 3.190 N/A LYS 15.A NZ SER 11.A OG no hydrogen 2.782 N/A ALA 17.A N LYS 9.A O no hydrogen 2.879 N/A THR 18.A N LEU 273.A O no hydrogen 2.769 N/A THR 18.A OG1 LEU 273.A O no hydrogen 3.438 N/A LEU 19.A N LEU 273.A O no hydrogen 2.929 N/A LYS 20.A N ASP 47.A OD2 no hydrogen 2.826 N/A LYS 20.A NZ GLU 44.A O no hydrogen 2.720 N/A LYS 20.A NZ GLU 44.A OE1 no hydrogen 3.485 N/A LYS 20.A NZ TYR 272.A OH no hydrogen 3.331 N/A ILE 21.A N LEU 271.A O no hydrogen 2.854 N/A CYS 22.A N ILE 48.A O no hydrogen 2.846 N/A CYS 22.A SG ILE 269.A O no hydrogen 3.616 N/A CYS 22.A SG THR 270.A OG1 no hydrogen 3.741 N/A SER 23.A N ILE 269.A O no hydrogen 2.917 N/A TRP 24.A N CYS 50.A O no hydrogen 2.916 N/A TRP 24.A NE1 HIS 266.A O no hydrogen 2.891 N/A ASN 25.A ND2 ASP 167.A OD2 no hydrogen 2.824 N/A VAL 26.A N GLN 52.A O no hydrogen 3.003 N/A ASP 27.A N ASN 25.A OD1 no hydrogen 2.941 N/A GLY 28.A N GLU 53.A O no hydrogen 2.798 N/A LEU 29.A N THR 54.A O no hydrogen 2.925 N/A TRP 32.A N GLY 28.A O no hydrogen 2.868 N/A ILE 33.A N LEU 29.A O no hydrogen 2.780 N/A LYS 34.A N ARG 30.A O no hydrogen 2.906 N/A LYS 35.A N ALA 31.A O no hydrogen 2.954 N/A LYS 35.A NZ TYR 226.A OH no hydrogen 3.256 N/A LYS 36.A N ILE 33.A O no hydrogen 2.848 N/A GLY 37.A N TRP 32.A O no hydrogen 2.897 N/A TRP 40.A N LYS 36.A O no hydrogen 3.311 N/A VAL 41.A N GLY 37.A O no hydrogen 3.203 N/A LYS 42.A N LEU 38.A O no hydrogen 3.037 N/A GLU 43.A N ASP 39.A O no hydrogen 3.189 N/A GLU 44.A N TRP 40.A O no hydrogen 2.987 N/A ALA 45.A N VAL 41.A O no hydrogen 2.953 N/A ASP 47.A N LYS 20.A O no hydrogen 2.832 N/A ILE 48.A N LYS 20.A O no hydrogen 3.324 N/A LEU 49.A N LEU 91.A O no hydrogen 2.767 N/A CYS 50.A N CYS 22.A O no hydrogen 2.713 N/A LEU 51.A N GLY 89.A O no hydrogen 2.830 N/A GLN 52.A N TRP 24.A O no hydrogen 3.024 N/A GLN 52.A NE2 SER 23.A OG no hydrogen 3.099 N/A GLN 52.A NE2 THR 126.A OG1 no hydrogen 2.983 N/A THR 54.A N GLY 87.A O no hydrogen 3.071 N/A LYS 55.A N SER 86.A O no hydrogen 2.779 N/A LYS 55.A NZ ASP 27.A OD1 no hydrogen 3.246 N/A CYS 56.A N THR 54.A OG1 no hydrogen 3.346 N/A CYS 56.A SG THR 54.A O no hydrogen 3.796 N/A GLU 64.A N GLU 64.A OE1 no hydrogen 2.730 N/A LEU 65.A N PRO 62.A O no hydrogen 3.166 N/A GLU 67.A N ALA 63.A O no hydrogen 3.334 N/A LEU 68.A N LEU 65.A O no hydrogen 2.962 N/A HIS 73.A N SER 92.A O no hydrogen 3.104 N/A GLN 74.A NE2 LEU 65.A O no hydrogen 3.040 N/A GLN 74.A NE2 LEU 71.A O no hydrogen 2.930 N/A TYR 75.A N LEU 90.A O no hydrogen 2.838 N/A SER 77.A N VAL 88.A O no hydrogen 3.089 N/A SER 77.A OG VAL 88.A O no hydrogen 3.441 N/A LYS 82.A N SER 80.A OG no hydrogen 3.129 N/A LYS 82.A NZ GLU 83.A OE2 no hydrogen 2.953 N/A GLU 83.A N GLU 83.A OE1 no hydrogen 2.796 N/A TYR 85.A N LYS 82.A O no hydrogen 3.167 N/A TYR 85.A OH ALA 78.A O no hydrogen 2.542 N/A SER 86.A N GLU 111.A O no hydrogen 2.786 N/A GLY 87.A N GLU 111.A O no hydrogen 3.464 N/A VAL 88.A N SER 77.A OG no hydrogen 2.961 N/A GLY 89.A N LEU 51.A O no hydrogen 2.832 N/A LEU 90.A N TYR 75.A O no hydrogen 2.778 N/A LEU 91.A N LEU 49.A O no hydrogen 2.781 N/A SER 92.A N HIS 73.A O no hydrogen 2.691 N/A SER 92.A OG GLN 94.A O no hydrogen 2.629 N/A ARG 93.A N ASP 47.A O no hydrogen 2.985 N/A CYS 95.A SG TYR 75.A OH no hydrogen 3.850 N/A CYS 95.A SG PRO 96.A O no hydrogen 3.905 N/A LEU 97.A N GLU 118.A O no hydrogen 2.756 N/A SER 100.A N VAL 116.A O no hydrogen 2.927 N/A GLY 102.A N VAL 114.A O no hydrogen 3.129 N/A ILE 103.A N ASP 109.A OD1 no hydrogen 2.813 N/A ASP 105.A N ASP 109.A OD2 no hydrogen 3.054 N/A GLU 107.A N ASP 105.A OD1 no hydrogen 3.357 N/A HIS 108.A N ASP 105.A O no hydrogen 2.814 N/A HIS 108.A ND1 TYR 141.A OH no hydrogen 2.812 N/A ASP 109.A N GLU 106.A O no hydrogen 3.262 N/A GLN 110.A NE2 GLU 106.A O no hydrogen 2.616 N/A GLN 110.A NE2 GLU 106.A OE1 no hydrogen 3.373 N/A ARG 113.A NE GLU 111.A OE1 no hydrogen 2.856 N/A ARG 113.A NH1 TYR 128.A O no hydrogen 2.819 N/A ARG 113.A NH2 GLU 111.A OE1 no hydrogen 3.096 N/A ILE 115.A N THR 126.A O no hydrogen 3.024 N/A VAL 116.A N SER 100.A O no hydrogen 2.880 N/A ALA 117.A N LEU 124.A O no hydrogen 2.777 N/A GLU 118.A N LYS 98.A O no hydrogen 2.749 N/A PHE 119.A N PHE 122.A O no hydrogen 2.839 N/A VAL 123.A N PRO 161.A O no hydrogen 2.885 N/A LEU 124.A N ALA 117.A O no hydrogen 2.812 N/A VAL 125.A N VAL 163.A O no hydrogen 2.759 N/A THR 126.A N ILE 115.A O no hydrogen 2.966 N/A THR 126.A OG1 CYS 165.A O no hydrogen 3.294 N/A ALA 127.A N CYS 165.A O no hydrogen 3.167 N/A TYR 128.A N ARG 113.A O no hydrogen 2.845 N/A VAL 129.A N ASP 167.A O no hydrogen 3.042 N/A GLY 133.A N ASN 131.A OD1 no hydrogen 2.814 N/A LEU 136.A N GLY 133.A O no hydrogen 2.916 N/A VAL 137.A N ARG 134.A O no hydrogen 3.236 N/A ARG 138.A N ALA 132.A O no hydrogen 2.754 N/A ARG 138.A NH1 GLU 111.A OE2 no hydrogen 3.340 N/A ARG 138.A NH2 GLU 111.A OE1 no hydrogen 3.011 N/A ARG 138.A NH2 GLU 111.A OE2 no hydrogen 3.567 N/A LEU 139.A N LEU 136.A O no hydrogen 3.182 N/A TYR 141.A N GLU 140.A OE2 no hydrogen 2.958 N/A TYR 141.A OH HIS 108.A ND1 no hydrogen 2.812 N/A ARG 142.A N ARG 138.A O no hydrogen 2.847 N/A ARG 142.A NE ASP 146.A OD1 no hydrogen 2.863 N/A ARG 142.A NH1 PRO 130.A O no hydrogen 2.958 N/A ARG 142.A NH1 ASN 169.A O no hydrogen 3.178 N/A ARG 142.A NH2 ASN 169.A O no hydrogen 2.917 N/A GLN 143.A N LEU 139.A O no hydrogen 3.000 N/A ARG 144.A N GLU 140.A O no hydrogen 3.276 N/A ARG 144.A NE GLU 107.A OE1 no hydrogen 3.374 N/A ARG 144.A NE GLU 107.A OE2 no hydrogen 2.748 N/A ARG 144.A NH2 GLU 107.A OE2 no hydrogen 2.542 N/A TRP 145.A N TYR 141.A O no hydrogen 2.834 N/A ASP 146.A N ARG 142.A O no hydrogen 2.729 N/A GLU 147.A N GLN 143.A O no hydrogen 3.263 N/A ALA 148.A N ARG 144.A O no hydrogen 3.054 N/A PHE 149.A N TRP 145.A O no hydrogen 2.808 N/A ARG 150.A N ASP 146.A O no hydrogen 2.912 N/A LYS 151.A N GLU 147.A O no hydrogen 3.070 N/A PHE 152.A N ALA 148.A O no hydrogen 2.890 N/A LEU 153.A N PHE 149.A O no hydrogen 2.927 N/A LYS 154.A N ARG 150.A O no hydrogen 2.891 N/A LYS 154.A NZ ALA 203.A O no hydrogen 2.890 N/A GLY 155.A N LYS 151.A O no hydrogen 3.030 N/A LEU 156.A N PHE 152.A O no hydrogen 3.222 N/A ALA 157.A N LEU 153.A O no hydrogen 2.955 N/A SER 158.A N LYS 154.A O no hydrogen 3.238 N/A SER 158.A OG GLY 155.A O no hydrogen 2.757 N/A ARG 159.A N LEU 156.A O no hydrogen 3.038 N/A LYS 160.A N LEU 156.A O no hydrogen 3.329 N/A LYS 160.A NZ GLU 118.A OE1 no hydrogen 2.817 N/A LYS 160.A NZ PHE 119.A O no hydrogen 2.575 N/A LYS 160.A NZ ASP 120.A O no hydrogen 2.885 N/A LEU 162.A N SER 245.A OG no hydrogen 2.781 N/A VAL 163.A N VAL 123.A O no hydrogen 2.847 N/A LEU 164.A N LEU 243.A O no hydrogen 2.944 N/A CYS 165.A N VAL 125.A O no hydrogen 2.940 N/A CYS 165.A SG VAL 125.A O no hydrogen 3.993 N/A CYS 165.A SG THR 126.A OG1 no hydrogen 3.552 N/A GLY 166.A N TYR 241.A O no hydrogen 3.262 N/A ASP 167.A N ALA 127.A O no hydrogen 3.255 N/A LEU 168.A N LEU 239.A O no hydrogen 2.870 N/A ASN 169.A N ASP 167.A OD1 no hydrogen 2.997 N/A ALA 171.A N GLY 188.A O no hydrogen 2.944 N/A HIS 172.A N TYR 241.A OH no hydrogen 3.293 N/A GLU 173.A N ASP 176.A OD2 no hydrogen 2.756 N/A ASP 176.A N GLU 173.A O no hydrogen 2.743 N/A LEU 177.A N GLU 174.A O no hydrogen 3.404 N/A ARG 178.A N GLY 236.A O no hydrogen 2.927 N/A ARG 178.A NH1 LYS 233.A O no hydrogen 2.966 N/A ARG 178.A NH1 ASN 234.A O no hydrogen 3.042 N/A LYS 181.A NZ GLU 174.A OE2 no hydrogen 3.226 N/A GLY 182.A N ASN 179.A OD1 no hydrogen 3.219 N/A ASN 183.A N PRO 180.A O no hydrogen 3.309 N/A ASN 186.A N ASN 183.A O no hydrogen 2.899 N/A GLY 188.A N GLU 193.A OE1 no hydrogen 2.728 N/A GLY 188.A N GLU 193.A OE2 no hydrogen 3.152 N/A PHE 189.A N ASN 186.A O no hydrogen 3.124 N/A THR 190.A N GLU 193.A OE1 no hydrogen 3.391 N/A THR 190.A OG1 GLU 193.A OE1 no hydrogen 2.763 N/A GLU 193.A N THR 190.A OG1 no hydrogen 3.192 N/A ARG 194.A N THR 190.A O no hydrogen 3.015 N/A ARG 194.A NE HIS 172.A O no hydrogen 2.913 N/A ARG 194.A NH2 HIS 172.A O no hydrogen 3.477 N/A GLN 195.A N PRO 191.A O no hydrogen 2.836 N/A GLY 196.A N GLN 192.A O no hydrogen 2.909 N/A PHE 197.A N GLU 193.A O no hydrogen 2.984 N/A GLY 198.A N ARG 194.A O no hydrogen 2.959 N/A GLU 199.A N GLN 195.A O no hydrogen 2.932 N/A LEU 200.A N GLY 196.A O no hydrogen 2.950 N/A LEU 201.A N PHE 197.A O no hydrogen 3.046 N/A GLN 202.A N GLY 198.A O no hydrogen 3.128 N/A ALA 203.A N GLU 199.A O no hydrogen 2.829 N/A LEU 206.A N LEU 201.A O no hydrogen 2.815 N/A ALA 207.A N LEU 244.A O no hydrogen 2.784 N/A SER 209.A N PHE 242.A O no hydrogen 3.112 N/A SER 209.A OG PHE 242.A O no hydrogen 2.835 N/A SER 209.A OG SER 255.A OG no hydrogen 2.851 N/A ARG 211.A N ASP 208.A OD1 no hydrogen 3.384 N/A ARG 211.A NH1 TYR 214.A O no hydrogen 3.108 N/A ARG 211.A NH1 THR 217.A O no hydrogen 2.758 N/A ARG 211.A NH2 ASP 176.A OD1 no hydrogen 2.775 N/A HIS 212.A N ASP 208.A O no hydrogen 2.777 N/A LEU 213.A N SER 209.A O no hydrogen 3.191 N/A TYR 214.A N PHE 210.A O no hydrogen 2.877 N/A TYR 214.A OH ASP 254.A OD1 no hydrogen 2.559 N/A THR 217.A N TYR 214.A O no hydrogen 3.445 N/A THR 222.A N TRP 237.A O no hydrogen 2.870 N/A PHE 223.A N TRP 237.A O no hydrogen 2.918 N/A TRP 224.A N ASP 265.A O no hydrogen 3.102 N/A TRP 224.A NE1 ASN 234.A OD1 no hydrogen 2.951 N/A ASN 229.A ND2 SER 232.A OG no hydrogen 2.660 N/A ALA 230.A N MET 227.A O no hydrogen 3.259 N/A ARG 231.A NH2 SER 259.A O no hydrogen 2.700 N/A ARG 231.A NH2 ALA 261.A O no hydrogen 2.981 N/A LYS 233.A N ALA 230.A O no hydrogen 2.953 N/A ASN 234.A N ARG 231.A O no hydrogen 2.924 N/A ASN 234.A ND2 TYR 219.A O no hydrogen 3.201 N/A VAL 235.A N ALA 230.A O no hydrogen 3.018 N/A TRP 237.A N PHE 223.A O no hydrogen 2.901 N/A ARG 238.A N ASP 176.A O no hydrogen 2.849 N/A ARG 238.A NE ASP 176.A OD1 no hydrogen 3.074 N/A ARG 238.A NH1 ASP 208.A OD1 no hydrogen 3.094 N/A ARG 238.A NH1 ASP 208.A OD2 no hydrogen 3.263 N/A ARG 238.A NH2 ASP 176.A OD1 no hydrogen 3.017 N/A ARG 238.A NH2 ASP 208.A OD2 no hydrogen 2.785 N/A TYR 241.A N GLY 166.A O no hydrogen 3.185 N/A TYR 241.A OH VAL 170.A O no hydrogen 2.769 N/A LEU 243.A N LEU 164.A O no hydrogen 2.697 N/A LEU 244.A N ALA 207.A O no hydrogen 2.923 N/A SER 245.A N LEU 162.A O no hydrogen 3.016 N/A SER 245.A OG LEU 162.A O no hydrogen 3.526 N/A LEU 248.A N SER 245.A O no hydrogen 2.942 N/A LEU 249.A N HIS 246.A O no hydrogen 2.927 N/A ALA 251.A N LEU 248.A O no hydrogen 2.898 N/A LEU 252.A N LEU 249.A O no hydrogen 3.010 N/A CYS 253.A N TYR 272.A O no hydrogen 2.941 N/A CYS 253.A SG ALA 251.A O no hydrogen 3.823 N/A SER 255.A N ASP 254.A OD1 no hydrogen 2.841 N/A SER 255.A OG SER 209.A OG no hydrogen 2.851 N/A LYS 256.A N THR 270.A O no hydrogen 2.682 N/A LYS 256.A NZ PRO 5.A O no hydrogen 2.649 N/A LYS 256.A NZ PRO 6.A O no hydrogen 3.196 N/A LYS 256.A NZ ASP 254.A OD2 no hydrogen 2.805 N/A ILE 257.A N ASP 4.A OD1 no hydrogen 3.426 N/A ILE 257.A N ASP 4.A OD2 no hydrogen 3.000 N/A ARG 258.A N PRO 268.A O no hydrogen 2.908 N/A ARG 258.A NE GLU 44.A OE2 no hydrogen 3.150 N/A ARG 258.A NH1 ASP 7.A OD1 no hydrogen 2.845 N/A ARG 258.A NH2 ASP 7.A OD1 no hydrogen 3.515 N/A ARG 258.A NH2 ASP 7.A OD2 no hydrogen 2.996 N/A ARG 258.A NH2 GLU 44.A OE2 no hydrogen 3.096 N/A SER 259.A OG ILE 257.A O no hydrogen 3.535 N/A LYS 260.A NZ GLU 3.A OE2 no hydrogen 3.162 N/A ALA 261.A N ARG 258.A O no hydrogen 3.077 N/A SER 264.A OG ASN 25.A O no hydrogen 2.708 N/A SER 264.A OG ASP 265.A OD1 no hydrogen 3.549 N/A HIS 266.A N SER 264.A OG no hydrogen 3.153 N/A HIS 266.A ND1 ASP 240.A OD2 no hydrogen 2.938 N/A CYS 267.A N THR 222.A O no hydrogen 2.985 N/A CYS 267.A SG TYR 221.A O no hydrogen 3.890 N/A CYS 267.A SG PRO 268.A O no hydrogen 3.631 N/A ILE 269.A N SER 23.A O no hydrogen 2.925 N/A THR 270.A N LYS 256.A O no hydrogen 3.082 N/A THR 270.A OG1 GLU 44.A OE2 no hydrogen 2.783 N/A LEU 271.A N ILE 21.A O no hydrogen 2.807 N/A TYR 272.A N ASP 254.A O no hydrogen 2.992 N/A TYR 272.A OH ASP 7.A OD2 no hydrogen 2.532 N/A LEU 273.A N LEU 19.A O no hydrogen 2.947 N/A ALA 274.A N ALA 251.A O no hydrogen 2.802 N/A LEU 275.A N THR 18.A OG1 no hydrogen 2.926 N/A