Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w8l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 2.A N TYR 258.A O no hydrogen 3.024 N/A SER 4.A OG HIS 306.A NE2 no hydrogen 3.011 N/A ALA 6.A N TYR 179.A OH no hydrogen 3.039 N/A ARG 7.A NH1 GLN 307.A O no hydrogen 2.344 N/A ARG 7.A NH2 ARG 309.A O no hydrogen 3.068 N/A ARG 7.A NH2 GLU 314.A OE1 no hydrogen 2.753 N/A ARG 7.A NH2 GLU 314.A OE2 no hydrogen 3.559 N/A TYR 9.A OH ASP 142.A OD1 no hydrogen 2.752 N/A THR 10.A OG1 ALA 6.A O no hydrogen 2.521 N/A ASN 13.A ND2 GLY 148.A O no hydrogen 2.959 N/A ASN 13.A ND2 TYR 179.A O no hydrogen 2.736 N/A THR 14.A OG1 ASP 11.A OD2 no hydrogen 2.857 N/A HIS 15.A N ASP 11.A O no hydrogen 3.228 N/A ARG 16.A N ASN 13.A O no hydrogen 3.233 N/A TYR 20.A N PRO 17.A O no hydrogen 3.092 N/A TYR 20.A OH MET 147.A O no hydrogen 2.807 N/A TRP 21.A N ARG 18.A O no hydrogen 3.281 N/A TRP 21.A NE1 ARG 16.A O no hydrogen 3.309 N/A ASP 22.A N ARG 18.A O no hydrogen 2.962 N/A SER 25.A N ASP 22.A O no hydrogen 3.138 N/A SER 25.A OG ASP 22.A O no hydrogen 3.143 N/A HIS 26.A N TYR 23.A O no hydrogen 3.156 N/A GLY 31.A N ILE 97.A O no hydrogen 2.913 N/A ASP 35.A N ASN 32.A O no hydrogen 3.357 N/A TYR 36.A N GLN 33.A O no hydrogen 3.199 N/A TYR 36.A OH ASP 96.A OD2 no hydrogen 2.902 N/A GLN 37.A N VAL 54.A O no hydrogen 3.100 N/A GLN 37.A NE2 TYR 36.A O no hydrogen 3.687 N/A VAL 39.A N GLU 52.A O no hydrogen 2.823 N/A ARG 40.A N GLU 52.A O no hydrogen 3.094 N/A ARG 40.A NE GLU 52.A OE1 no hydrogen 2.764 N/A ARG 40.A NH2 GLU 52.A OE1 no hydrogen 2.936 N/A LEU 42.A N VAL 50.A O no hydrogen 2.741 N/A GLY 45.A N SER 48.A O no hydrogen 2.836 N/A GLU 49.A N GLU 49.A OE2 no hydrogen 3.125 N/A GLU 49.A N ILE 66.A O no hydrogen 3.019 N/A VAL 50.A N GLY 43.A O no hydrogen 3.349 N/A PHE 51.A N VAL 64.A O no hydrogen 2.865 N/A GLU 52.A N ARG 40.A O no hydrogen 2.537 N/A ALA 53.A N VAL 62.A O no hydrogen 2.937 N/A VAL 54.A N GLN 37.A O no hydrogen 3.013 N/A ASN 55.A N GLU 60.A O no hydrogen 3.129 N/A ILE 56.A N ASP 35.A O no hydrogen 3.194 N/A THR 57.A N ASN 55.A OD1 no hydrogen 3.068 N/A GLU 60.A N ASN 58.A OD1 no hydrogen 3.258 N/A VAL 62.A N ALA 53.A O no hydrogen 3.055 N/A VAL 63.A N PHE 110.A O no hydrogen 3.011 N/A VAL 64.A N PHE 51.A O no hydrogen 2.907 N/A LYS 65.A N LEU 108.A O no hydrogen 2.669 N/A ILE 66.A N GLU 49.A O no hydrogen 2.937 N/A LEU 67.A N PRO 106.A O no hydrogen 3.117 N/A LYS 68.A N TYR 47.A O no hydrogen 2.775 N/A LYS 68.A NZ LYS 46.A O no hydrogen 2.884 N/A LYS 73.A NZ TYR 23.A OH no hydrogen 3.293 N/A LYS 73.A NZ GLU 24.A OE1 no hydrogen 3.330 N/A LYS 74.A N LYS 71.A O no hydrogen 3.219 N/A LYS 76.A N LYS 72.A O no hydrogen 2.857 N/A LYS 76.A NZ GLU 24.A O no hydrogen 2.741 N/A ARG 77.A N LYS 73.A O no hydrogen 3.142 N/A ARG 77.A NH2 GLY 174.A O no hydrogen 3.031 N/A GLU 78.A N LYS 74.A O no hydrogen 3.168 N/A ILE 79.A N ILE 75.A O no hydrogen 2.946 N/A LYS 80.A N LYS 76.A O no hydrogen 3.051 N/A LYS 80.A NZ GLU 19.A O no hydrogen 2.905 N/A ILE 81.A N ARG 77.A O no hydrogen 2.923 N/A LEU 82.A N GLU 78.A O no hydrogen 2.831 N/A GLU 83.A N ILE 79.A O no hydrogen 2.786 N/A ASN 84.A N LYS 80.A O no hydrogen 2.883 N/A ASN 84.A ND2 TYR 20.A O no hydrogen 2.832 N/A LEU 85.A N ILE 81.A O no hydrogen 3.152 N/A LEU 85.A N LEU 82.A O no hydrogen 3.299 N/A ARG 86.A N GLU 83.A O no hydrogen 3.369 N/A GLY 88.A N LEU 85.A O no hydrogen 3.040 N/A ASN 90.A ND2 GLU 136.A O no hydrogen 2.785 N/A ASN 90.A ND2 GLU 136.A OE1 no hydrogen 3.035 N/A ILE 91.A N GLY 88.A O no hydrogen 3.395 N/A ILE 92.A N LEU 170.A O no hydrogen 3.242 N/A THR 93.A N GLU 111.A OE2 no hydrogen 3.204 N/A ALA 95.A N VAL 109.A O no hydrogen 2.710 N/A ASP 96.A N VAL 109.A O no hydrogen 3.191 N/A ILE 97.A N ASP 96.A OD1 no hydrogen 2.769 N/A VAL 98.A N ALA 107.A O no hydrogen 3.093 N/A ASP 100.A N THR 105.A O no hydrogen 3.129 N/A SER 103.A OG ASP 100.A OD2 no hydrogen 2.911 N/A SER 103.A OG THR 105.A OG1 no hydrogen 2.922 N/A ARG 104.A N ASP 100.A O no hydrogen 2.536 N/A ARG 104.A NH1 PRO 101.A O no hydrogen 2.788 N/A ARG 104.A NH2 PRO 101.A O no hydrogen 3.345 N/A THR 105.A OG1 SER 103.A OG no hydrogen 2.922 N/A ALA 107.A N VAL 98.A O no hydrogen 2.897 N/A LEU 108.A N LYS 65.A O no hydrogen 2.938 N/A VAL 109.A N ASP 96.A O no hydrogen 2.909 N/A PHE 110.A N VAL 63.A O no hydrogen 2.727 N/A GLU 111.A N THR 93.A O no hydrogen 3.327 N/A HIS 112.A N LYS 61.A O no hydrogen 3.272 N/A THR 116.A N ILE 161.A O no hydrogen 3.467 N/A LYS 119.A NZ GLU 227.A OE1 no hydrogen 3.050 N/A GLN 120.A N ASP 117.A O no hydrogen 3.197 N/A GLN 120.A N ASP 117.A OD2 no hydrogen 3.115 N/A LEU 121.A N PHE 118.A O no hydrogen 3.111 N/A TYR 122.A N PHE 118.A O no hydrogen 3.099 N/A THR 124.A N LEU 121.A O no hydrogen 3.055 N/A THR 124.A OG1 LEU 121.A O no hydrogen 2.995 N/A THR 126.A N ASP 129.A OD2 no hydrogen 2.976 N/A ASP 129.A N THR 126.A OG1 no hydrogen 3.193 N/A ILE 130.A N THR 126.A O no hydrogen 3.079 N/A ARG 131.A N ASP 127.A O no hydrogen 3.361 N/A ARG 131.A NE ASP 127.A OD2 no hydrogen 3.173 N/A ARG 131.A NH1 TYR 320.A O no hydrogen 3.285 N/A PHE 132.A N TYR 128.A O no hydrogen 2.808 N/A TYR 133.A N ASP 129.A O no hydrogen 3.034 N/A MET 134.A N ILE 130.A O no hydrogen 2.940 N/A TYR 135.A N ARG 131.A O no hydrogen 2.864 N/A GLU 136.A N PHE 132.A O no hydrogen 2.987 N/A ILE 137.A N TYR 133.A O no hydrogen 2.871 N/A LEU 138.A N MET 134.A O no hydrogen 2.991 N/A LYS 139.A N TYR 135.A O no hydrogen 3.251 N/A LYS 139.A NZ GLU 136.A OE2 no hydrogen 2.769 N/A ALA 140.A N GLU 136.A O no hydrogen 3.423 N/A LEU 141.A N ILE 137.A O no hydrogen 3.032 N/A ASP 142.A N LEU 138.A O no hydrogen 2.818 N/A TYR 143.A N LYS 139.A O no hydrogen 3.070 N/A CYS 144.A N ALA 140.A O no hydrogen 2.953 N/A CYS 144.A SG LEU 141.A O no hydrogen 3.338 N/A CYS 144.A SG ILE 149.A O no hydrogen 3.504 N/A HIS 145.A N LEU 141.A O no hydrogen 2.807 N/A HIS 145.A NE2 ASP 211.A OD2 no hydrogen 2.725 N/A SER 146.A N ASP 142.A O no hydrogen 2.851 N/A SER 146.A OG TYR 143.A O no hydrogen 2.638 N/A MET 147.A N TYR 143.A O no hydrogen 3.129 N/A MET 147.A N CYS 144.A O no hydrogen 3.224 N/A GLY 148.A N HIS 145.A O no hydrogen 2.940 N/A ILE 149.A N CYS 144.A O no hydrogen 2.930 N/A MET 150.A N GLU 177.A O no hydrogen 2.728 N/A HIS 151.A N ASP 211.A OD2 no hydrogen 3.015 N/A HIS 151.A NE2 ILE 171.A O no hydrogen 2.947 N/A ARG 152.A N ASP 211.A OD1 no hydrogen 2.846 N/A ARG 152.A NE LEU 175.A O no hydrogen 2.721 N/A ARG 152.A NH1 TYR 206.A OH no hydrogen 2.907 N/A ARG 152.A NH2 LEU 175.A O no hydrogen 2.889 N/A ASP 153.A N HIS 151.A ND1 no hydrogen 3.078 N/A LYS 155.A NZ SER 191.A OG no hydrogen 2.574 N/A ASN 158.A N LYS 155.A O no hydrogen 2.894 N/A ASN 158.A ND2 ASP 153.A O no hydrogen 2.801 N/A ASN 158.A ND2 ASP 153.A OD2 no hydrogen 2.846 N/A VAL 159.A N PRO 156.A O no hydrogen 3.182 N/A MET 160.A N ARG 169.A O no hydrogen 2.839 N/A ILE 161.A N ASN 115.A OD1 no hydrogen 3.202 N/A ASP 162.A N LYS 167.A O no hydrogen 2.797 N/A HIS 165.A N ASP 162.A OD1 no hydrogen 3.327 N/A ARG 166.A N HIS 163.A O no hydrogen 2.854 N/A ARG 166.A NH1 ASP 129.A OD1 no hydrogen 2.602 N/A ARG 166.A NH2 ASP 129.A OD1 no hydrogen 3.002 N/A LYS 167.A N ASP 162.A O no hydrogen 3.022 N/A ARG 169.A N MET 160.A O no hydrogen 2.876 N/A ARG 169.A NE GLU 111.A OE2 no hydrogen 3.008 N/A ARG 169.A NH1 LEU 168.A O no hydrogen 2.927 N/A LEU 170.A N ASN 90.A O no hydrogen 2.724 N/A ILE 171.A N ASN 158.A O no hydrogen 2.985 N/A TRP 173.A NE1 LEU 170.A O no hydrogen 2.992 N/A ALA 176.A N TRP 173.A O no hydrogen 2.956 N/A GLU 177.A N MET 150.A O no hydrogen 2.785 N/A PHE 178.A N GLU 177.A OE1 no hydrogen 2.598 N/A TYR 179.A N GLY 148.A O no hydrogen 2.843 N/A HIS 180.A N TYR 185.A OH no hydrogen 2.858 N/A GLN 183.A N HIS 180.A O no hydrogen 3.106 N/A GLN 183.A NE2 TYR 185.A OH no hydrogen 3.098 N/A TYR 185.A N GLN 204.A O no hydrogen 2.957 N/A TYR 185.A OH PHE 178.A O no hydrogen 2.698 N/A ARG 188.A N ASN 186.A OD1 no hydrogen 3.086 N/A SER 191.A OG ASP 153.A OD1 no hydrogen 3.166 N/A ARG 192.A NH1 GLY 232.A O no hydrogen 2.980 N/A PHE 194.A N SER 191.A O no hydrogen 2.805 N/A LYS 195.A N ARG 192.A O no hydrogen 3.324 N/A LYS 195.A NZ ALA 190.A O no hydrogen 3.096 N/A GLU 198.A N GLU 198.A OE1 no hydrogen 2.748 N/A LEU 199.A N GLY 196.A O no hydrogen 2.748 N/A LEU 200.A N GLY 196.A O no hydrogen 3.233 N/A VAL 201.A N PRO 197.A O no hydrogen 2.885 N/A ASP 202.A N LEU 199.A O no hydrogen 3.136 N/A TYR 203.A N GLU 198.A O no hydrogen 2.765 N/A TYR 203.A OH VAL 2.A O no hydrogen 2.758 N/A GLN 204.A NE2 TYR 185.A O no hydrogen 2.745 N/A TYR 206.A OH ASN 186.A O no hydrogen 2.913 N/A TYR 208.A OH TYR 9.A O no hydrogen 2.887 N/A SER 209.A N ASP 207.A OD1 no hydrogen 2.893 N/A SER 209.A OG ASP 207.A OD1 no hydrogen 2.724 N/A SER 209.A OG HIS 306.A O no hydrogen 3.433 N/A LEU 210.A N ASP 207.A O no hydrogen 3.108 N/A ASP 211.A N TYR 208.A O no hydrogen 3.022 N/A MET 212.A N SER 209.A O no hydrogen 2.985 N/A TRP 213.A N SER 209.A O no hydrogen 3.199 N/A SER 214.A N LEU 210.A O no hydrogen 3.216 N/A SER 214.A OG PHE 194.A O no hydrogen 2.786 N/A SER 214.A OG LEU 210.A O no hydrogen 3.399 N/A LEU 215.A N ASP 211.A O no hydrogen 2.793 N/A GLY 216.A N MET 212.A O no hydrogen 3.004 N/A CYS 217.A N TRP 213.A O no hydrogen 2.917 N/A CYS 217.A SG TYR 193.A O no hydrogen 3.617 N/A CYS 217.A SG TRP 213.A O no hydrogen 3.558 N/A MET 218.A N SER 214.A O no hydrogen 3.089 N/A LEU 219.A N LEU 215.A O no hydrogen 3.068 N/A ALA 220.A N GLY 216.A O no hydrogen 2.963 N/A SER 221.A N CYS 217.A O no hydrogen 3.076 N/A SER 221.A OG MET 218.A O no hydrogen 2.734 N/A MET 222.A N MET 218.A O no hydrogen 3.056 N/A ILE 223.A N LEU 219.A O no hydrogen 2.992 N/A PHE 224.A N ALA 220.A O no hydrogen 3.283 N/A LYS 226.A N SER 221.A O no hydrogen 3.201 N/A LYS 226.A NZ PHE 229.A O no hydrogen 3.444 N/A GLY 232.A N GLN 238.A OE1 no hydrogen 3.121 N/A HIS 233.A N ASP 237.A OD2 no hydrogen 2.776 N/A TYR 236.A OH ASP 263.A OD2 no hydrogen 3.075 N/A ASP 237.A N ASP 234.A OD1 no hydrogen 2.771 N/A GLN 238.A N ASP 234.A O no hydrogen 2.745 N/A GLN 238.A NE2 PHE 230.A O no hydrogen 3.123 N/A VAL 240.A N TYR 236.A O no hydrogen 3.381 N/A ARG 241.A N ASP 237.A O no hydrogen 3.019 N/A ARG 241.A NE ASP 237.A OD2 no hydrogen 3.369 N/A ILE 242.A N GLN 238.A O no hydrogen 3.068 N/A ALA 243.A N LEU 239.A O no hydrogen 2.658 N/A LYS 244.A N VAL 240.A O no hydrogen 2.779 N/A VAL 245.A N ILE 242.A O no hydrogen 2.865 N/A LEU 246.A N ILE 242.A O no hydrogen 2.812 N/A GLY 247.A N ALA 243.A O no hydrogen 2.747 N/A THR 248.A N HIS 273.A O no hydrogen 2.835 N/A THR 248.A OG1 HIS 273.A O no hydrogen 3.066 N/A TYR 252.A N THR 248.A O no hydrogen 2.982 N/A ASP 253.A N GLU 249.A O no hydrogen 3.012 N/A TYR 254.A N ASP 250.A O no hydrogen 3.072 N/A TYR 254.A OH HIS 306.A ND1 no hydrogen 3.094 N/A ILE 255.A N LEU 251.A O no hydrogen 3.201 N/A ASP 256.A N TYR 252.A O no hydrogen 3.158 N/A LYS 257.A N ASP 253.A O no hydrogen 2.842 N/A LYS 257.A NZ ASP 305.A OD2 no hydrogen 2.668 N/A TYR 258.A N TYR 254.A O no hydrogen 3.287 N/A TYR 258.A OH ASP 305.A OD1 no hydrogen 2.802 N/A ASN 259.A N ASP 256.A O no hydrogen 3.085 N/A ILE 260.A N ILE 255.A O no hydrogen 2.729 N/A ARG 265.A N ASP 263.A OD1 no hydrogen 3.097 N/A PHE 266.A N ASP 263.A O no hydrogen 2.897 N/A ASN 267.A N PRO 264.A O no hydrogen 3.241 N/A ILE 269.A N PHE 266.A O no hydrogen 3.348 N/A LEU 270.A N PHE 266.A O no hydrogen 3.387 N/A HIS 273.A N THR 248.A OG1 no hydrogen 2.744 N/A LYS 276.A N VAL 245.A O no hydrogen 3.000 N/A LYS 276.A NZ LYS 244.A O no hydrogen 2.861 N/A LYS 276.A NZ SER 274.A O no hydrogen 3.266 N/A TRP 278.A NE1 ASP 299.A OD1 no hydrogen 3.002 N/A ARG 280.A N ARG 277.A O no hydrogen 3.231 N/A PHE 281.A N TRP 278.A O no hydrogen 2.948 N/A VAL 282.A N GLU 279.A O no hydrogen 3.407 N/A HIS 283.A N ASN 286.A OD1 no hydrogen 2.946 N/A GLU 285.A N HIS 283.A ND1 no hydrogen 3.060 N/A ASN 286.A N HIS 283.A ND1 no hydrogen 3.258 N/A ASN 286.A N HIS 283.A O no hydrogen 3.382 N/A ASN 286.A ND2 PHE 224.A O no hydrogen 2.769 N/A ASN 286.A ND2 PHE 281.A O no hydrogen 3.241 N/A HIS 288.A NE2 GLU 285.A O no hydrogen 3.040 N/A LEU 289.A N ASN 286.A O no hydrogen 2.968 N/A VAL 290.A N GLN 287.A O no hydrogen 3.141 N/A SER 291.A OG GLU 293.A OE2 no hydrogen 3.401 N/A ALA 294.A N SER 291.A OG no hydrogen 3.374 N/A LEU 295.A N SER 291.A O no hydrogen 3.110 N/A ASP 296.A N PRO 292.A O no hydrogen 3.104 N/A PHE 297.A N GLU 293.A O no hydrogen 3.024 N/A LEU 298.A N ALA 294.A O no hydrogen 3.040 N/A ASP 299.A N LEU 295.A O no hydrogen 3.166 N/A LYS 300.A N ASP 296.A O no hydrogen 3.110 N/A LYS 300.A NZ ASP 296.A OD1 no hydrogen 3.524 N/A LYS 300.A NZ ASP 296.A OD2 no hydrogen 2.813 N/A LEU 301.A N LEU 298.A O no hydrogen 2.967 N/A LEU 302.A N LEU 298.A O no hydrogen 2.935 N/A ARG 303.A N LEU 301.A O no hydrogen 3.196 N/A TYR 304.A OH GLY 247.A O no hydrogen 2.851 N/A HIS 306.A ND1 TYR 254.A OH no hydrogen 3.094 N/A HIS 306.A NE2 SER 4.A OG no hydrogen 3.011 N/A GLN 307.A N ASP 305.A OD1 no hydrogen 3.036 N/A GLN 307.A NE2 SER 4.A OG no hydrogen 3.035 N/A GLN 307.A NE2 ARG 5.A O no hydrogen 3.615 N/A SER 308.A N ASP 305.A O no hydrogen 2.846 N/A ARG 309.A NE ARG 303.A O no hydrogen 2.983 N/A ARG 309.A NH1 GLU 198.A OE1 no hydrogen 3.493 N/A ARG 309.A NH1 GLU 198.A OE2 no hydrogen 2.728 N/A ARG 309.A NH1 SER 209.A O no hydrogen 3.103 N/A ARG 309.A NH2 GLU 198.A OE1 no hydrogen 2.741 N/A ARG 309.A NH2 GLU 198.A OE2 no hydrogen 3.340 N/A ARG 309.A NH2 ARG 303.A O no hydrogen 3.475 N/A ARG 309.A NH2 TYR 304.A O no hydrogen 3.308 N/A LEU 310.A N LYS 300.A O no hydrogen 3.062 N/A THR 311.A N GLU 314.A OE1 no hydrogen 2.975 N/A GLU 314.A N THR 311.A OG1 no hydrogen 3.380 N/A ALA 315.A N THR 311.A O no hydrogen 2.817 N/A MET 316.A N ALA 312.A O no hydrogen 3.026 N/A GLU 317.A N GLU 314.A O no hydrogen 3.325 N/A HIS 318.A N ALA 315.A O no hydrogen 3.278 N/A HIS 318.A NE2 ASP 296.A OD2 no hydrogen 2.416 N/A TYR 320.A N HIS 318.A ND1 no hydrogen 3.134 N/A PHE 321.A N HIS 318.A O no hydrogen 3.021 N/A TYR 322.A N PRO 319.A O no hydrogen 2.911 N/A VAL 325.A N THR 323.A O no hydrogen 2.886 N/A LYS 326.A NZ TYR 128.A OH no hydrogen 3.081 N/A