Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ug2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 4.A ND2 SER 64.A OG no hydrogen 3.143 N/A ALA 6.A N ASN 4.A OD1 no hydrogen 3.016 N/A LEU 11.A N ILE 76.A O no hydrogen 2.701 N/A LYS 12.A N GLU 15.A OE1 no hydrogen 3.188 N/A GLU 15.A N LYS 12.A O no hydrogen 2.946 N/A PHE 16.A N GLU 13.A O no hydrogen 3.496 N/A LYS 17.A N LEU 31.A O no hydrogen 3.035 N/A ILE 19.A N LYS 29.A O no hydrogen 2.675 N/A LEU 22.A N VAL 27.A O no hydrogen 2.583 N/A SER 23.A OG LEU 22.A O no hydrogen 2.721 N/A SER 24.A OG SER 23.A O no hydrogen 3.334 N/A THR 26.A OG1 TYR 28.A OH no hydrogen 3.144 N/A VAL 27.A N SER 23.A O no hydrogen 3.303 N/A TYR 28.A N ILE 45.A O no hydrogen 2.832 N/A LYS 29.A N LYS 20.A O no hydrogen 2.953 N/A GLY 30.A N VAL 43.A O no hydrogen 2.910 N/A LEU 31.A N LYS 17.A O no hydrogen 2.949 N/A TRP 32.A N ILE 41.A O no hydrogen 2.865 N/A ILE 33.A N GLU 15.A O no hydrogen 2.854 N/A GLU 35.A N GLU 15.A OE2 no hydrogen 2.851 N/A GLU 37.A N PRO 34.A O no hydrogen 3.280 N/A LYS 40.A N ASP 290.A O no hydrogen 2.840 N/A LYS 40.A NZ ASP 287.A O no hydrogen 2.821 N/A ILE 41.A N TRP 32.A O no hydrogen 2.830 N/A VAL 43.A N GLY 30.A O no hydrogen 2.879 N/A ALA 44.A N MET 86.A O no hydrogen 2.825 N/A ILE 45.A N TYR 28.A O no hydrogen 2.997 N/A LYS 46.A N LEU 84.A O no hydrogen 2.851 N/A GLU 47.A N THR 26.A O no hydrogen 3.164 N/A ASN 52.A N SER 48.A O no hydrogen 3.029 N/A ASN 52.A ND2 SER 48.A O no hydrogen 2.405 N/A LYS 53.A N PRO 49.A O no hydrogen 3.137 N/A LYS 53.A NZ ASP 57.A OD2 no hydrogen 3.344 N/A GLU 54.A N LYS 50.A O no hydrogen 2.836 N/A ILE 55.A N ALA 51.A O no hydrogen 3.152 N/A LEU 56.A N ASN 52.A O no hydrogen 3.314 N/A ASP 57.A N LYS 53.A O no hydrogen 3.107 N/A GLU 58.A N GLU 54.A O no hydrogen 2.983 N/A ALA 59.A N ILE 55.A O no hydrogen 2.911 N/A TYR 60.A N LEU 56.A O no hydrogen 2.940 N/A VAL 61.A N ASP 57.A O no hydrogen 3.150 N/A MET 62.A N GLU 58.A O no hydrogen 2.935 N/A ALA 63.A N ALA 59.A O no hydrogen 2.851 N/A SER 64.A N TYR 60.A O no hydrogen 3.178 N/A SER 64.A N VAL 61.A O no hydrogen 2.908 N/A SER 64.A OG TYR 60.A O no hydrogen 2.561 N/A VAL 65.A N MET 62.A O no hydrogen 3.330 N/A ASP 66.A N TYR 123.A OH no hydrogen 2.759 N/A HIS 69.A N ASN 67.A OD1 no hydrogen 2.862 N/A HIS 69.A ND1 VAL 147.A O no hydrogen 3.249 N/A VAL 70.A N ASN 67.A O no hydrogen 3.071 N/A CYS 71.A N ILE 149.A O no hydrogen 2.861 N/A CYS 71.A SG.A ILE 149.A O no hydrogen 3.691 N/A CYS 71.A SG.B THR 150.A OG1 no hydrogen 3.607 N/A ARG 72.A NE ALA 294.A O no hydrogen 2.865 N/A ARG 72.A NH2 ALA 294.A O no hydrogen 3.160 N/A ARG 72.A NH2 TYR 297.A O no hydrogen 2.501 N/A LEU 74.A N ILE 85.A O no hydrogen 2.640 N/A GLY 75.A N ILE 85.A O no hydrogen 3.195 N/A ILE 76.A N ARG 9.A O no hydrogen 2.900 N/A CYS 77.A N GLN 83.A O no hydrogen 2.779 N/A CYS 77.A SG LEU 11.A O no hydrogen 3.170 N/A CYS 77.A SG GLN 83.A OE1 no hydrogen 3.965 N/A GLN 83.A N CYS 77.A O no hydrogen 2.866 N/A LEU 84.A N LYS 46.A O no hydrogen 2.884 N/A ILE 85.A N GLY 75.A O no hydrogen 2.924 N/A MET 86.A N ALA 44.A O no hydrogen 2.880 N/A GLN 87.A N ARG 72.A O no hydrogen 2.963 N/A GLN 87.A NE2 ASP 293.A OD1 no hydrogen 3.434 N/A GLN 87.A NE2 ASP 295.A OD2 no hydrogen 3.048 N/A LEU 88.A N PRO 42.A O no hydrogen 3.263 N/A PHE 91.A N VAL 141.A O no hydrogen 3.163 N/A GLY 92.A N MET 89.A O no hydrogen 2.986 N/A LEU 94.A N VAL 139.A O no hydrogen 2.724 N/A LEU 95.A N ALA 136.A O no hydrogen 3.234 N/A TYR 97.A N CYS 93.A O no hydrogen 3.110 N/A VAL 98.A N LEU 94.A O no hydrogen 2.872 N/A ARG 99.A N LEU 95.A O no hydrogen 2.989 N/A ARG 99.A NE GLY 207.A O no hydrogen 2.636 N/A ARG 99.A NH2 GLY 207.A O no hydrogen 2.990 N/A GLU 100.A N ASP 96.A O no hydrogen 2.889 N/A LYS 102.A NZ PHE 206.A O no hydrogen 2.930 N/A ASN 104.A N HIS 101.A O no hydrogen 2.775 N/A ASN 104.A ND2 ASP 103.A O no hydrogen 3.344 N/A ILE 105.A N LYS 102.A O no hydrogen 3.387 N/A SER 107.A N ASP 280.A OD1 no hydrogen 3.146 N/A SER 107.A N ASP 280.A OD2 no hydrogen 3.350 N/A SER 107.A OG ASP 280.A OD2 no hydrogen 2.743 N/A GLN 108.A NE2 GLN 108.A O no hydrogen 3.514 N/A GLN 108.A NE2 ALA 268.A O no hydrogen 2.956 N/A TYR 109.A N GLY 106.A O no hydrogen 3.235 N/A LEU 110.A N GLY 106.A O no hydrogen 3.249 N/A LEU 111.A N SER 107.A O no hydrogen 3.057 N/A ASN 112.A N GLN 108.A O no hydrogen 2.999 N/A TRP 113.A N TYR 109.A O no hydrogen 2.886 N/A TRP 113.A NE1 PRO 144.A O no hydrogen 2.974 N/A CYS 114.A N LEU 110.A O no hydrogen 3.169 N/A CYS 114.A SG LEU 110.A O no hydrogen 3.240 N/A VAL 115.A N LEU 111.A O no hydrogen 3.015 N/A GLN 116.A N ASN 112.A O no hydrogen 2.906 N/A GLN 116.A NE2 VAL 147.A O no hydrogen 3.671 N/A ILE 117.A N TRP 113.A O no hydrogen 2.922 N/A ALA 118.A N CYS 114.A O no hydrogen 3.115 N/A LYS 119.A N VAL 115.A O no hydrogen 2.895 N/A GLY 120.A N GLN 116.A O no hydrogen 2.939 N/A MET 121.A N ILE 117.A O no hydrogen 2.885 N/A ASN 122.A N ALA 118.A O no hydrogen 2.722 N/A TYR 123.A N LYS 119.A O no hydrogen 2.929 N/A LEU 124.A N GLY 120.A O no hydrogen 3.002 N/A GLU 125.A N MET 121.A O no hydrogen 3.022 N/A ASP 126.A N ASN 122.A O no hydrogen 2.955 N/A ARG 127.A N TYR 123.A O no hydrogen 3.097 N/A ARG 128.A N GLU 125.A O no hydrogen 2.840 N/A ARG 128.A NH1 GLU 162.A O no hydrogen 3.397 N/A ARG 128.A NH2 GLY 159.A O no hydrogen 2.594 N/A LEU 129.A N LEU 124.A O no hydrogen 2.728 N/A VAL 130.A N LYS 156.A O no hydrogen 3.062 N/A HIS 131.A N ASP 192.A OD1 no hydrogen 2.824 N/A HIS 131.A NE2 THR 150.A O no hydrogen 2.812 N/A ARG 132.A N ASP 192.A OD2 no hydrogen 2.947 N/A ARG 132.A NH1 LEU 154.A O no hydrogen 2.753 N/A ASP 133.A N HIS 131.A ND1 no hydrogen 2.880 N/A ALA 136.A N GLU 202.A OE2 no hydrogen 3.018 N/A ARG 137.A NH1 ASP 133.A OD1 no hydrogen 2.858 N/A ASN 138.A N ALA 135.A O no hydrogen 2.801 N/A ASN 138.A ND2 ASP 133.A O no hydrogen 2.652 N/A VAL 139.A N ALA 136.A O no hydrogen 3.398 N/A LEU 140.A N LYS 148.A O no hydrogen 2.779 N/A VAL 141.A N GLY 92.A O no hydrogen 2.851 N/A LYS 142.A N HIS 146.A O no hydrogen 2.879 N/A LYS 142.A NZ ASP 293.A OD2 no hydrogen 3.167 N/A LYS 142.A NZ ASP 295.A OD2 no hydrogen 2.576 N/A THR 143.A N HIS 146.A O no hydrogen 3.342 N/A GLN 145.A N THR 143.A OG1 no hydrogen 3.098 N/A HIS 146.A N THR 143.A O no hydrogen 2.658 N/A HIS 146.A NE2 PRO 68.A O no hydrogen 2.829 N/A LYS 148.A N LEU 140.A O no hydrogen 2.926 N/A LYS 148.A NZ GLN 87.A OE1 no hydrogen 2.809 N/A LYS 148.A NZ ASP 295.A OD1 no hydrogen 2.746 N/A LYS 148.A NZ ASP 295.A OD2 no hydrogen 3.290 N/A ILE 149.A N HIS 69.A O no hydrogen 2.969 N/A THR 150.A N ASN 138.A O no hydrogen 2.754 N/A GLY 153.A N ASP 151.A OD1 no hydrogen 3.406 N/A ALA 155.A N PHE 152.A O no hydrogen 3.022 N/A LYS 156.A N VAL 130.A O no hydrogen 2.912 N/A LYS 156.A NZ TYR 165.A OH no hydrogen 3.457 N/A LEU 158.A N ARG 128.A O no hydrogen 2.956 N/A GLY 159.A N GLU 162.A OE1 no hydrogen 3.177 N/A GLU 162.A N GLY 159.A O no hydrogen 3.135 N/A TYR 165.A N TYR 187.A O no hydrogen 3.015 N/A ALA 167.A N ARG 185.A O no hydrogen 2.999 N/A LYS 175.A NZ TYR 211.A O no hydrogen 3.154 N/A LYS 175.A NZ ILE 214.A O no hydrogen 2.782 N/A TRP 176.A N PRO 173.A O no hydrogen 3.389 N/A TRP 176.A NE1 GLU 202.A OE2 no hydrogen 2.741 N/A MET 177.A N ILE 174.A O no hydrogen 3.048 N/A GLU 180.A N GLU 180.A OE2 no hydrogen 2.447 N/A SER 181.A OG ILE 186.A O no hydrogen 2.581 N/A ILE 182.A N ALA 178.A O no hydrogen 3.014 N/A LEU 183.A N LEU 179.A O no hydrogen 2.976 N/A HIS 184.A N GLU 180.A O no hydrogen 2.820 N/A ARG 185.A N SER 181.A O no hydrogen 2.805 N/A TYR 187.A N TYR 165.A O no hydrogen 2.991 N/A THR 188.A N SER 191.A OG no hydrogen 2.867 N/A GLN 190.A NE2 ALA 251.A O no hydrogen 3.288 N/A GLN 190.A NE2 PRO 255.A O no hydrogen 3.291 N/A SER 191.A N THR 188.A O no hydrogen 2.946 N/A SER 191.A N THR 188.A OG1 no hydrogen 3.215 N/A SER 191.A OG THR 188.A O no hydrogen 3.000 N/A ASP 192.A N THR 188.A O no hydrogen 3.215 N/A VAL 193.A N HIS 189.A O no hydrogen 2.948 N/A SER 195.A N SER 191.A O no hydrogen 3.252 N/A SER 195.A OG TRP 176.A O no hydrogen 2.462 N/A SER 195.A OG SER 191.A O no hydrogen 3.475 N/A TYR 196.A N ASP 192.A O no hydrogen 2.812 N/A TYR 196.A OH CYS 114.A O no hydrogen 2.683 N/A GLY 197.A N VAL 193.A O no hydrogen 2.975 N/A VAL 198.A N TRP 194.A O no hydrogen 3.201 N/A THR 199.A N SER 195.A O no hydrogen 2.940 N/A THR 199.A OG1 SER 195.A O no hydrogen 2.709 N/A VAL 200.A N TYR 196.A O no hydrogen 2.796 N/A TRP 201.A N GLY 197.A O no hydrogen 2.962 N/A TRP 201.A NE1 PRO 230.A O no hydrogen 2.743 N/A GLU 202.A N VAL 198.A O no hydrogen 2.796 N/A LEU 203.A N THR 199.A O no hydrogen 2.972 N/A MET 204.A N VAL 200.A O no hydrogen 2.789 N/A THR 205.A N TRP 201.A O no hydrogen 2.966 N/A THR 205.A OG1 TRP 201.A O no hydrogen 3.169 N/A THR 205.A OG1 GLU 202.A O no hydrogen 3.482 N/A THR 205.A OG1 SER 208.A OG no hydrogen 2.851 N/A PHE 206.A N LEU 203.A O no hydrogen 2.944 N/A GLY 207.A N GLU 202.A O no hydrogen 2.727 N/A SER 208.A N THR 205.A OG1 no hydrogen 3.210 N/A SER 208.A OG THR 205.A OG1 no hydrogen 2.851 N/A ASP 212.A N LYS 209.A O no hydrogen 3.148 N/A ILE 214.A N TYR 211.A O no hydrogen 2.867 N/A GLU 218.A N PRO 215.A O no hydrogen 2.981 N/A ILE 219.A N ALA 216.A O no hydrogen 3.396 N/A SER 220.A OG SER 217.A O no hydrogen 3.440 N/A SER 221.A N GLU 218.A O no hydrogen 2.695 N/A SER 221.A OG GLU 218.A O no hydrogen 2.771 N/A ILE 222.A N GLU 218.A O no hydrogen 3.176 N/A LEU 223.A N ILE 219.A O no hydrogen 3.021 N/A GLU 224.A N SER 220.A O no hydrogen 3.249 N/A GLU 224.A N SER 221.A O no hydrogen 2.931 N/A LYS 225.A N SER 221.A O no hydrogen 2.716 N/A GLY 226.A N LEU 223.A O no hydrogen 3.297 N/A GLU 227.A N ILE 222.A O no hydrogen 3.211 N/A ARG 228.A NE TRP 247.A O no hydrogen 2.915 N/A ARG 228.A NH1 TRP 247.A O no hydrogen 2.707 N/A ARG 228.A NH2 LEU 223.A O no hydrogen 2.952 N/A ARG 228.A NH2 GLU 227.A O no hydrogen 2.789 N/A GLN 231.A NE2 CYS 235.A O no hydrogen 2.978 N/A CYS 235.A N PRO 232.A O no hydrogen 2.904 N/A THR 236.A N TYR 274.A O no hydrogen 3.286 N/A THR 236.A OG1 TYR 274.A O no hydrogen 2.571 N/A VAL 239.A N THR 236.A O no hydrogen 3.115 N/A TYR 240.A N THR 236.A O no hydrogen 3.085 N/A TYR 240.A OH LEU 229.A O no hydrogen 2.616 N/A MET 241.A N ILE 237.A O no hydrogen 2.803 N/A ILE 242.A N VAL 239.A O no hydrogen 3.203 N/A MET 243.A N VAL 239.A O no hydrogen 3.353 N/A VAL 244.A N TYR 240.A O no hydrogen 3.019 N/A LYS 245.A N MET 241.A O no hydrogen 2.880 N/A CYS 246.A N ILE 242.A O no hydrogen 3.144 N/A CYS 246.A N MET 243.A O no hydrogen 2.859 N/A CYS 246.A SG ILE 242.A O no hydrogen 3.429 N/A TRP 247.A N VAL 244.A O no hydrogen 2.834 N/A MET 248.A N LYS 245.A O no hydrogen 3.330 N/A SER 253.A N ASP 250.A O no hydrogen 2.678 N/A SER 253.A OG ASP 250.A OD1 no hydrogen 2.659 N/A ARG 254.A N ALA 251.A O no hydrogen 3.202 N/A ARG 254.A NE GLN 190.A O no hydrogen 3.314 N/A ARG 254.A NH1 MET 248.A O no hydrogen 2.610 N/A ARG 254.A NH2 GLU 180.A OE1 no hydrogen 2.927 N/A ARG 254.A NH2 GLN 190.A O no hydrogen 3.058 N/A LYS 256.A N GLU 259.A OE1 no hydrogen 2.944 N/A LYS 256.A NZ GLU 125.A OE1 no hydrogen 3.023 N/A GLU 259.A N LYS 256.A O no hydrogen 2.688 N/A LEU 260.A N LYS 256.A O no hydrogen 2.845 N/A ILE 261.A N PHE 257.A O no hydrogen 3.027 N/A ILE 262.A N ARG 258.A O no hydrogen 3.474 N/A GLU 263.A N GLU 259.A O no hydrogen 2.925 N/A PHE 264.A N LEU 260.A O no hydrogen 3.007 N/A SER 265.A N ILE 261.A O no hydrogen 2.911 N/A SER 265.A OG ILE 261.A O no hydrogen 2.753 N/A LYS 266.A N ILE 262.A O no hydrogen 2.993 N/A MET 267.A N GLU 263.A O no hydrogen 3.210 N/A ALA 268.A N PHE 264.A O no hydrogen 2.817 N/A ARG 269.A N LYS 266.A O no hydrogen 3.294 N/A ASP 270.A N MET 267.A O no hydrogen 2.911 N/A ARG 273.A N ASP 270.A O no hydrogen 2.901 N/A TYR 274.A N PRO 271.A O no hydrogen 2.963 N/A LEU 275.A N PRO 271.A O no hydrogen 3.035 N/A VAL 276.A N ILE 234.A O no hydrogen 2.904 N/A ASP 280.A N ILE 277.A O no hydrogen 3.283 N/A ARG 282.A N GLY 279.A O no hydrogen 3.383 N/A MET 283.A N ASP 280.A O no hydrogen 3.266 N/A VAL 291.A N MET 288.A O no hydrogen 3.319 N/A VAL 292.A N LYS 40.A O no hydrogen 2.944 N/A ASP 295.A N ASP 293.A OD2 no hydrogen 2.943 N/A GLU 296.A N ASP 293.A O no hydrogen 2.883 N/A TYR 297.A N ALA 294.A O no hydrogen 2.929 N/A TYR 297.A OH GLU 37.A OE1 no hydrogen 2.220 N/A