Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w5u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 1.A SG SER 2.A O no hydrogen 3.722 N/A SER 2.A OG LYS 4.A O no hydrogen 3.267 N/A LYS 3.A N ASP 289.A OD2 no hydrogen 2.758 N/A LYS 3.A NZ GLY 288.A O no hydrogen 3.545 N/A LYS 4.A N SER 2.A OG no hydrogen 3.069 N/A LYS 4.A NZ GLU 136.A O no hydrogen 2.653 N/A LYS 4.A NZ ASN 292.A OD1 no hydrogen 2.790 N/A GLN 5.A N MET 139.A O no hydrogen 2.820 N/A GLN 5.A NE2 GLU 7.A O no hydrogen 2.735 N/A VAL 9.A N GLU 6.A O no hydrogen 3.252 N/A ASN 12.A N PRO 132.A O no hydrogen 2.678 N/A TYR 14.A N GLY 131.A O no hydrogen 3.083 N/A GLU 18.A N LYS 15.A O no hydrogen 3.010 N/A TYR 20.A N ILE 129.A O no hydrogen 2.770 N/A TYR 20.A OH GLU 47.A OE2 no hydrogen 2.475 N/A GLY 22.A N VAL 127.A O no hydrogen 2.811 N/A ARG 23.A N SER 45.A OG no hydrogen 3.187 N/A CYS 24.A N ASP 125.A O no hydrogen 2.810 N/A CYS 24.A SG LEU 26.A O no hydrogen 3.457 N/A LEU 25.A N VAL 43.A O no hydrogen 2.693 N/A LEU 26.A N VAL 43.A O no hydrogen 3.413 N/A ASN 27.A ND2 LEU 118.A O no hydrogen 3.420 N/A ASN 27.A ND2 CYS 119.A O no hydrogen 3.330 N/A ASN 27.A ND2 LEU 121.A O no hydrogen 2.868 N/A THR 28.A N HIS 41.A O no hydrogen 2.664 N/A LYS 29.A NZ ASP 33.A OD1 no hydrogen 2.823 N/A ILE 30.A N THR 39.A O no hydrogen 2.872 N/A GLY 32.A N SER 190.A O no hydrogen 3.090 N/A ALA 35.A N GLY 32.A O no hydrogen 3.014 N/A THR 39.A N THR 31.A OG1 no hydrogen 3.041 N/A TRP 40.A N VAL 97.A O no hydrogen 2.761 N/A TRP 40.A NE1 GLU 38.A OE2 no hydrogen 2.797 N/A HIS 41.A N THR 28.A O no hydrogen 2.628 N/A HIS 41.A ND1 TYR 194.A OH no hydrogen 2.624 N/A HIS 41.A NE2 ASP 86.A OD2 no hydrogen 2.920 N/A MET 42.A N LEU 95.A O no hydrogen 3.124 N/A VAL 43.A N LEU 26.A O no hydrogen 2.921 N/A PHE 44.A N VAL 93.A O no hydrogen 2.817 N/A SER 45.A N ARG 23.A O no hydrogen 2.789 N/A THR 46.A N LYS 91.A O no hydrogen 2.760 N/A GLY 48.A N THR 46.A OG1 no hydrogen 3.040 N/A LYS 49.A N THR 46.A O no hydrogen 2.567 N/A TYR 52.A N ILE 50.A O no hydrogen 2.731 N/A TYR 52.A OH SER 82.A O no hydrogen 2.671 N/A TYR 52.A OH THR 92.A O no hydrogen 3.197 N/A ARG 53.A N GLN 56.A OE1 no hydrogen 2.848 N/A ARG 53.A NH1 TYR 52.A O no hydrogen 2.904 N/A GLU 54.A N GLU 54.A OE1 no hydrogen 2.587 N/A GLN 56.A N ARG 53.A O no hydrogen 3.152 N/A GLN 56.A NE2 VAL 10.A O no hydrogen 3.095 N/A GLN 56.A NE2 GLY 134.A O no hydrogen 3.116 N/A SER 57.A N VAL 133.A O no hydrogen 2.850 N/A ILE 58.A N TYR 77.A O no hydrogen 3.052 N/A GLY 59.A N THR 130.A O no hydrogen 2.903 N/A VAL 60.A N ARG 75.A O no hydrogen 2.893 N/A ILE 61.A N GLN 128.A O no hydrogen 2.889 N/A ASP 66.A N LYS 70.A O no hydrogen 2.981 N/A ASN 68.A N ASP 66.A OD1 no hydrogen 3.220 N/A GLY 69.A N ASP 66.A O no hydrogen 3.197 N/A ARG 75.A N VAL 60.A O no hydrogen 3.147 N/A ARG 75.A NH1 LYS 73.A O no hydrogen 2.677 N/A TYR 77.A N ILE 58.A O no hydrogen 2.801 N/A SER 78.A OG GLU 294.A OE2 no hydrogen 2.892 N/A ILE 79.A N GLN 56.A O no hydrogen 3.067 N/A ALA 80.A N SER 94.A O no hydrogen 2.646 N/A SER 81.A OG TYR 52.A OH no hydrogen 2.615 N/A SER 82.A OG GLU 169.A OE2 no hydrogen 2.631 N/A ALA 83.A N GLU 54.A OE2 no hydrogen 2.409 N/A GLY 85.A N SER 82.A OG no hydrogen 3.312 N/A GLY 88.A N GLY 85.A O no hydrogen 2.779 N/A SER 90.A N ILE 84.A O no hydrogen 2.927 N/A LYS 91.A N ASP 89.A OD1 no hydrogen 2.842 N/A VAL 93.A N PHE 44.A O no hydrogen 2.924 N/A SER 94.A N SER 81.A OG no hydrogen 3.180 N/A SER 94.A OG ASP 86.A OD2 no hydrogen 2.715 N/A LEU 95.A N MET 42.A O no hydrogen 2.983 N/A CYS 96.A SG TYR 194.A OH no hydrogen 3.438 N/A VAL 97.A N TRP 40.A O no hydrogen 2.885 N/A ARG 99.A N GLU 38.A O no hydrogen 3.091 N/A ARG 99.A NE GLU 38.A OE2 no hydrogen 2.864 N/A ARG 99.A NH1 ASN 116.A OD1 no hydrogen 2.698 N/A ARG 99.A NH1 ASP 120.A OD1 no hydrogen 3.400 N/A ARG 99.A NH2 GLU 38.A OE2 no hydrogen 3.220 N/A ARG 99.A NH2 ASP 120.A OD1 no hydrogen 3.419 N/A LEU 100.A N SER 115.A OG no hydrogen 2.962 N/A TYR 102.A N VAL 110.A O no hydrogen 3.097 N/A ASN 104.A N GLU 108.A O no hydrogen 3.010 N/A ASN 104.A ND2 GLU 108.A OE1 no hydrogen 3.217 N/A ALA 106.A N ASN 104.A OD1 no hydrogen 2.738 N/A GLY 107.A N ASN 104.A O no hydrogen 2.825 N/A GLU 108.A N ASN 104.A OD1 no hydrogen 3.373 N/A VAL 110.A N TYR 102.A O no hydrogen 2.795 N/A GLY 112.A N LEU 100.A O no hydrogen 2.790 N/A CYS 114.A SG VAL 60.A O no hydrogen 3.840 N/A SER 115.A OG GLY 112.A O no hydrogen 3.308 N/A ASN 116.A N GLY 112.A O no hydrogen 3.136 N/A ASN 116.A ND2 LEU 100.A O no hydrogen 3.010 N/A ASN 116.A ND2 GLY 112.A O no hydrogen 2.928 N/A PHE 117.A N VAL 113.A O no hydrogen 3.229 N/A LEU 118.A N CYS 114.A O no hydrogen 2.853 N/A CYS 119.A N SER 115.A O no hydrogen 2.975 N/A CYS 119.A SG VAL 97.A O no hydrogen 3.663 N/A ASP 120.A N PHE 117.A O no hydrogen 3.075 N/A LEU 121.A N LEU 118.A O no hydrogen 2.817 N/A GLN 122.A N ASP 125.A OD2 no hydrogen 2.671 N/A GLN 122.A NE2 ASP 120.A O no hydrogen 3.113 N/A GLY 124.A N CYS 24.A O no hydrogen 2.891 N/A ASP 125.A N GLN 122.A O no hydrogen 2.970 N/A ASN 126.A ND2 GLY 22.A O no hydrogen 3.659 N/A VAL 127.A N GLY 22.A O no hydrogen 2.911 N/A ILE 129.A N TYR 20.A O no hydrogen 2.716 N/A THR 130.A N GLY 59.A O no hydrogen 2.786 N/A GLY 131.A N TYR 14.A O no hydrogen 3.018 N/A VAL 133.A N SER 57.A O no hydrogen 2.956 N/A LEU 138.A N LYS 135.A O no hydrogen 3.360 N/A LYS 141.A N LYS 3.A O no hydrogen 2.844 N/A LYS 141.A NZ SER 2.A O no hydrogen 2.890 N/A LYS 141.A NZ GLU 6.A OE2 no hydrogen 2.571 N/A ASN 144.A N ASP 142.A OD1 no hydrogen 2.772 N/A THR 146.A N ASN 248.A O no hydrogen 2.886 N/A ILE 147.A N LEU 179.A O no hydrogen 2.962 N/A ILE 148.A N TYR 250.A O no hydrogen 2.867 N/A MET 149.A N TRP 181.A O no hydrogen 2.938 N/A LEU 150.A N TYR 252.A O no hydrogen 2.964 N/A ALA 151.A N PHE 183.A O no hydrogen 2.845 N/A THR 152.A N CYS 254.A O no hydrogen 3.258 N/A GLY 153.A N GLY 185.A O no hydrogen 3.081 N/A THR 154.A OG1 TYR 296.A OH no hydrogen 2.805 N/A GLY 155.A N THR 152.A O no hydrogen 2.866 N/A ILE 156.A N GLY 153.A O no hydrogen 3.250 N/A ALA 157.A N THR 154.A O no hydrogen 3.185 N/A ARG 160.A N ILE 156.A O no hydrogen 2.607 N/A ARG 160.A NE GLU 197.A OE1 no hydrogen 2.988 N/A ARG 160.A NH1 ALA 80.A O no hydrogen 2.960 N/A ARG 160.A NH1 ASP 86.A OD1 no hydrogen 3.097 N/A ARG 160.A NH1 ASP 86.A OD2 no hydrogen 3.456 N/A ARG 160.A NH2 ASP 86.A OD1 no hydrogen 2.991 N/A ARG 160.A NH2 GLU 197.A OE2 no hydrogen 3.006 N/A SER 161.A N ALA 157.A O no hydrogen 3.050 N/A SER 161.A OG SER 81.A O no hydrogen 2.683 N/A PHE 162.A N PRO 158.A O no hydrogen 2.746 N/A LEU 163.A N PHE 159.A O no hydrogen 2.936 N/A TRP 164.A N ARG 160.A O no hydrogen 2.998 N/A TRP 164.A NE1 GLU 197.A OE1 no hydrogen 2.582 N/A LYS 165.A N SER 161.A O no hydrogen 3.434 N/A MET 166.A N PHE 162.A O no hydrogen 2.915 N/A PHE 167.A N LEU 163.A O no hydrogen 2.875 N/A PHE 168.A N TRP 164.A O no hydrogen 2.918 N/A HIS 171.A NE2 GLU 169.A OE1 no hydrogen 2.671 N/A TYR 174.A N HIS 171.A O no hydrogen 3.296 N/A LYS 175.A NZ ASP 172.A O no hydrogen 2.593 N/A ASN 177.A N PRO 143.A O no hydrogen 2.923 N/A ASN 177.A ND2 ASN 208.A OD1 no hydrogen 3.192 N/A LEU 179.A N ALA 145.A O no hydrogen 3.166 N/A GLY 180.A N ASN 208.A O no hydrogen 2.698 N/A TRP 181.A N ILE 147.A O no hydrogen 2.978 N/A TRP 181.A NE1 ASP 212.A OD2 no hydrogen 2.898 N/A LEU 182.A N ARG 210.A O no hydrogen 2.760 N/A PHE 183.A N MET 149.A O no hydrogen 2.665 N/A LEU 184.A N ASP 212.A O no hydrogen 3.095 N/A GLY 185.A N ALA 151.A O no hydrogen 2.876 N/A VAL 186.A N ALA 214.A O no hydrogen 3.005 N/A THR 188.A OG1 SER 190.A OG no hydrogen 2.872 N/A THR 188.A OG1 SER 191.A OG no hydrogen 2.679 N/A SER 189.A N GLU 218.A OE2 no hydrogen 2.948 N/A SER 189.A OG GLU 218.A OE1 no hydrogen 2.822 N/A SER 190.A OG THR 188.A OG1 no hydrogen 2.872 N/A SER 191.A N THR 188.A O no hydrogen 2.751 N/A SER 191.A OG THR 188.A OG1 no hydrogen 2.679 N/A LEU 192.A N SER 189.A O no hydrogen 3.126 N/A TYR 194.A OH HIS 41.A ND1 no hydrogen 2.624 N/A GLU 197.A N TYR 194.A O no hydrogen 2.768 N/A PHE 198.A N TYR 194.A O no hydrogen 3.175 N/A GLY 199.A N LYS 195.A O no hydrogen 2.738 N/A LYS 200.A N GLU 196.A O no hydrogen 2.964 N/A MET 201.A N GLU 197.A O no hydrogen 2.875 N/A LYS 202.A N PHE 198.A O no hydrogen 2.796 N/A LYS 202.A NZ PRO 206.A O no hydrogen 2.963 N/A LYS 202.A NZ PHE 209.A O no hydrogen 2.943 N/A GLU 203.A N GLY 199.A O no hydrogen 3.034 N/A ARG 204.A N LYS 200.A O no hydrogen 3.170 N/A ALA 205.A N MET 201.A O no hydrogen 2.959 N/A ASN 208.A N ALA 205.A O no hydrogen 2.983 N/A PHE 209.A N ALA 205.A O no hydrogen 3.021 N/A ARG 210.A N GLY 180.A O no hydrogen 2.642 N/A ARG 210.A NH2 GLU 239.A OE2 no hydrogen 2.656 N/A ASP 212.A N LEU 182.A O no hydrogen 2.717 N/A ALA 214.A N LEU 184.A O no hydrogen 3.053 N/A VAL 215.A N GLN 219.A OE1 no hydrogen 2.964 N/A SER 216.A N VAL 186.A O no hydrogen 3.108 N/A ARG 217.A N PRO 187.A O no hydrogen 3.090 N/A GLU 218.A N VAL 215.A O no hydrogen 3.018 N/A GLN 219.A N VAL 215.A O no hydrogen 2.902 N/A THR 220.A OG1 ASN 221.A O no hydrogen 2.888 N/A ASN 221.A N GLU 225.A O no hydrogen 3.094 N/A GLY 224.A N ASN 221.A O no hydrogen 2.954 N/A GLU 225.A N ASN 221.A OD1 no hydrogen 2.889 N/A MET 227.A N GLN 219.A O no hydrogen 3.007 N/A TYR 228.A N ARG 226.A O no hydrogen 3.059 N/A GLN 230.A N GLN 230.A OE1 no hydrogen 2.539 N/A THR 231.A N TYR 228.A O no hydrogen 3.075 N/A THR 231.A OG1 ARG 226.A O no hydrogen 3.405 N/A ARG 232.A N TYR 228.A O no hydrogen 3.178 N/A ARG 232.A NE TYR 213.A O no hydrogen 2.704 N/A ARG 232.A NH1 GLU 235.A OE2 no hydrogen 3.086 N/A ARG 232.A NH2 TYR 213.A O no hydrogen 3.159 N/A ARG 232.A NH2 GLN 219.A OE1 no hydrogen 3.149 N/A MET 233.A N ILE 229.A O no hydrogen 2.983 N/A ALA 234.A N GLN 230.A O no hydrogen 2.933 N/A GLU 235.A N ARG 232.A O no hydrogen 3.225 N/A TYR 236.A N MET 233.A O no hydrogen 2.749 N/A TYR 236.A OH ASP 212.A OD1 no hydrogen 2.696 N/A LYS 237.A N ALA 234.A O no hydrogen 3.202 N/A GLU 238.A N GLU 238.A OE1 no hydrogen 2.489 N/A LEU 240.A N TYR 236.A O no hydrogen 2.750 N/A TRP 241.A N LYS 237.A O no hydrogen 3.157 N/A TRP 241.A NE1 ASP 274.A OD2 no hydrogen 3.209 N/A GLU 242.A N GLU 238.A O no hydrogen 2.877 N/A LEU 243.A N GLU 239.A O no hydrogen 3.080 N/A LEU 244.A N LEU 240.A O no hydrogen 2.974 N/A LEU 244.A N TRP 241.A O no hydrogen 3.284 N/A LYS 245.A N GLU 242.A O no hydrogen 2.821 N/A LYS 245.A NZ GLU 242.A OE1 no hydrogen 3.486 N/A LYS 246.A N LEU 243.A O no hydrogen 3.304 N/A ASN 248.A ND2 ASN 144.A O no hydrogen 3.545 N/A THR 249.A OG1 LEU 243.A O no hydrogen 2.542 N/A TYR 250.A N THR 146.A O no hydrogen 2.690 N/A VAL 251.A N GLN 290.A O no hydrogen 2.758 N/A TYR 252.A N ILE 148.A O no hydrogen 2.847 N/A TYR 252.A OH LEU 138.A O no hydrogen 2.473 N/A MET 253.A N ASN 292.A O no hydrogen 2.647 N/A CYS 254.A N LEU 150.A O no hydrogen 3.032 N/A CYS 254.A SG GLU 294.A O no hydrogen 3.455 N/A CYS 254.A SG GLU 294.A OE2 no hydrogen 3.858 N/A GLY 255.A N GLU 294.A O no hydrogen 3.286 N/A LEU 256.A N THR 152.A OG1 no hydrogen 3.334 N/A LYS 257.A N TYR 296.A O no hydrogen 2.952 N/A MET 259.A N LEU 256.A O no hydrogen 3.142 N/A LYS 261.A NZ ASP 265.A OD1 no hydrogen 3.569 N/A LYS 261.A NZ ASP 265.A OD2 no hydrogen 3.124 N/A ASP 264.A N GLU 260.A O no hydrogen 3.023 N/A ASP 265.A N LYS 261.A O no hydrogen 3.036 N/A ILE 266.A N GLY 262.A O no hydrogen 3.400 N/A MET 267.A N ILE 263.A O no hydrogen 3.050 N/A VAL 268.A N ASP 264.A O no hydrogen 2.594 N/A SER 269.A N ASP 265.A O no hydrogen 3.445 N/A SER 269.A OG ASP 265.A O no hydrogen 3.232 N/A LEU 270.A N ILE 266.A O no hydrogen 3.175 N/A ALA 271.A N MET 267.A O no hydrogen 2.770 N/A GLU 272.A N VAL 268.A O no hydrogen 3.056 N/A LYS 273.A N SER 269.A O no hydrogen 3.359 N/A ASP 274.A N ALA 271.A O no hydrogen 2.586 N/A GLY 275.A N GLU 272.A O no hydrogen 3.218 N/A ILE 276.A N ALA 271.A O no hydrogen 3.296 N/A TRP 278.A NE1 ASP 264.A OD1 no hydrogen 2.831 N/A ASP 280.A N ASP 277.A OD1 no hydrogen 3.409 N/A TYR 281.A N ASP 277.A O no hydrogen 3.213 N/A TYR 281.A OH LEU 244.A O no hydrogen 3.102 N/A LYS 282.A N TRP 278.A O no hydrogen 2.701 N/A LYS 282.A NZ ASP 264.A OD1 no hydrogen 3.057 N/A LYS 282.A NZ ASP 264.A OD2 no hydrogen 3.359 N/A LYS 283.A N PHE 279.A O no hydrogen 3.113 N/A GLN 284.A N ASP 280.A O no hydrogen 3.237 N/A LEU 285.A N TYR 281.A O no hydrogen 2.879 N/A LYS 286.A N LYS 282.A O no hydrogen 2.860 N/A ARG 287.A N LYS 283.A O no hydrogen 3.245 N/A GLY 288.A N LEU 285.A O no hydrogen 3.036 N/A ASP 289.A N LYS 286.A O no hydrogen 2.928 N/A GLN 290.A N LEU 285.A O no hydrogen 2.841 N/A ASN 292.A N VAL 251.A O no hydrogen 2.799 N/A ASN 292.A ND2 VAL 251.A O no hydrogen 2.902 N/A ASN 292.A ND2 ASP 289.A O no hydrogen 3.285 N/A GLU 294.A N MET 253.A O no hydrogen 2.853 N/A TYR 296.A N GLY 255.A O no hydrogen 2.785 N/A TYR 296.A OH THR 154.A OG1 no hydrogen 2.805 N/A