Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3msk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 4.A N PHE 1.A O no hydrogen 3.003 N/A VAL 5.A N VAL 2.A O no hydrogen 3.189 N/A ASP 6.A N SER 165.A OG no hydrogen 2.624 N/A ASN 7.A N MET 4.A O no hydrogen 3.311 N/A ASN 7.A ND2 HIS 91.A O no hydrogen 2.865 N/A ASN 7.A ND2 MET 166.A O no hydrogen 3.009 N/A LEU 8.A N GLY 164.A O no hydrogen 3.039 N/A ARG 9.A N TYR 17.A O no hydrogen 3.106 N/A ARG 9.A NH1 ASP 6.A OD2 no hydrogen 2.723 N/A ARG 9.A NH2 ASP 6.A OD1 no hydrogen 3.011 N/A ARG 9.A NH2 ASP 6.A OD2 no hydrogen 3.235 N/A ARG 9.A NH2 LEU 8.A O no hydrogen 3.158 N/A SER 12.A N ALA 160.A O no hydrogen 2.633 N/A GLN 14.A N LYS 11.A O no hydrogen 2.943 N/A TYR 16.A OH GLU 331.A OE2 no hydrogen 2.488 N/A TYR 17.A N ARG 9.A O no hydrogen 2.935 N/A VAL 18.A N ILE 31.A O no hydrogen 2.808 N/A MET 20.A N LEU 29.A O no hydrogen 2.776 N/A THR 21.A N SER 88.A O no hydrogen 2.886 N/A THR 21.A OG1 SER 88.A OG no hydrogen 2.885 N/A VAL 22.A N.A GLN 27.A O no hydrogen 2.973 N/A VAL 22.A N.B GLN 27.A O no hydrogen 2.951 N/A GLY 23.A N LEU 86.A O no hydrogen 2.688 N/A SER 24.A N SER 59.A OG no hydrogen 3.345 N/A SER 24.A OG THR 61.A OG1 no hydrogen 2.844 N/A GLN 27.A N VAL 22.A O.A no hydrogen 2.887 N/A GLN 27.A N VAL 22.A O.B no hydrogen 2.856 N/A GLN 27.A NE2 GLN 55.A O no hydrogen 2.949 N/A LEU 29.A N MET 20.A O no hydrogen 2.864 N/A ASN 30.A N GLU 118.A OE1 no hydrogen 2.841 N/A ASN 30.A ND2 ASN 116.A O no hydrogen 3.251 N/A ILE 31.A N VAL 18.A O no hydrogen 3.003 N/A LEU 32.A N GLY 119.A O no hydrogen 2.900 N/A VAL 33.A N TYR 16.A O no hydrogen 2.859 N/A ASP 34.A N LEU 121.A O no hydrogen 3.019 N/A THR 35.A N SER 221.A OG no hydrogen 2.868 N/A THR 35.A OG1 VAL 219.A O no hydrogen 2.770 N/A GLY 36.A N ASP 34.A OD1 no hydrogen 2.874 N/A SER 37.A OG ASP 34.A OD2 no hydrogen 2.673 N/A SER 38.A OG TYR 125.A O no hydrogen 2.555 N/A ASN 39.A ND2 ARG 130.A O no hydrogen 2.893 N/A ALA 41.A N ILE 120.A O no hydrogen 3.001 N/A VAL 42.A N ALA 102.A O no hydrogen 2.865 N/A GLY 43.A N GLU 118.A O no hydrogen 2.791 N/A ALA 44.A N ILE 104.A O no hydrogen 2.993 N/A HIS 47.A N ALA 45.A O no hydrogen 2.767 N/A PHE 49.A N HIS 47.A ND1 no hydrogen 3.169 N/A LEU 50.A N HIS 47.A O no hydrogen 3.086 N/A ARG 52.A NE GLU 118.A OE1 no hydrogen 2.909 N/A TYR 54.A N GLY 43.A O no hydrogen 2.869 N/A TYR 54.A OH ASP 85.A OD2 no hydrogen 2.431 N/A GLN 55.A N GLN 27.A OE1 no hydrogen 2.774 N/A ARG 56.A NH1 GLU 81.A OE2 no hydrogen 2.646 N/A ARG 56.A NH2 GLU 81.A OE2 no hydrogen 2.883 N/A GLN 57.A N GLN 57.A OE1 no hydrogen 2.922 N/A LEU 58.A N GLN 55.A O no hydrogen 2.930 N/A SER 59.A N ARG 56.A O no hydrogen 2.975 N/A SER 59.A OG ASP 85.A OD1 no hydrogen 3.211 N/A SER 59.A OG ASP 85.A OD2 no hydrogen 2.638 N/A SER 60.A N SER 24.A O no hydrogen 2.970 N/A SER 60.A OG SER 24.A O no hydrogen 3.283 N/A THR 61.A N SER 59.A OG no hydrogen 3.329 N/A THR 61.A OG1 SER 24.A OG no hydrogen 2.844 N/A THR 61.A OG1 ASP 85.A OD1 no hydrogen 2.734 N/A TYR 62.A N SER 59.A O no hydrogen 3.492 N/A ARG 63.A N THR 84.A O no hydrogen 2.887 N/A LEU 65.A N LEU 82.A O no hydrogen 3.022 N/A ARG 66.A N ASP 64.A OD1 no hydrogen 2.794 N/A VAL 69.A N GLY 80.A O no hydrogen 2.892 N/A VAL 71.A N TRP 78.A O no hydrogen 2.779 N/A TYR 73.A N GLY 76.A O no hydrogen 2.998 N/A TYR 73.A OH LYS 109.A O no hydrogen 2.974 N/A LYS 77.A N ASP 108.A O.A no hydrogen 3.095 N/A LYS 77.A N ASP 108.A O.B no hydrogen 3.095 N/A LYS 77.A NZ GLU 79.A OE1 no hydrogen 3.411 N/A LYS 77.A NZ ASP 108.A OD2.B no hydrogen 3.285 N/A TRP 78.A N VAL 71.A O no hydrogen 3.092 N/A GLU 79.A N GLU 106.A O no hydrogen 2.690 N/A GLY 80.A N VAL 69.A O no hydrogen 3.085 N/A GLU 81.A N ALA 103.A O no hydrogen 2.951 N/A LEU 82.A N LYS 67.A O no hydrogen 2.808 N/A GLY 83.A N ILE 101.A O no hydrogen 3.151 N/A THR 84.A N ARG 63.A O no hydrogen 2.774 N/A ASP 85.A N ALA 99.A O no hydrogen 3.209 N/A LEU 86.A N ASP 85.A OD1 no hydrogen 2.791 N/A VAL 87.A N VAL 97.A O no hydrogen 2.685 N/A SER 88.A N THR 21.A O no hydrogen 3.035 N/A SER 88.A OG THR 21.A OG1 no hydrogen 2.885 N/A VAL 95.A N PRO 93.A O no hydrogen 2.999 N/A VAL 97.A N VAL 87.A O no hydrogen 2.916 N/A ARG 98.A N GLN 145.A OE1 no hydrogen 3.027 N/A ARG 98.A NH1 THR 61.A O no hydrogen 2.891 N/A ARG 98.A NH1 THR 84.A OG1 no hydrogen 2.991 N/A ARG 98.A NH2 THR 61.A O no hydrogen 2.757 N/A ALA 99.A N ASP 85.A O no hydrogen 3.001 N/A ASN 100.A ND2 GLU 136.A O no hydrogen 3.010 N/A ILE 101.A N GLY 83.A O no hydrogen 2.782 N/A ALA 102.A N PHE 40.A O no hydrogen 2.870 N/A ALA 103.A N GLU 81.A O no hydrogen 2.980 N/A ILE 104.A N VAL 42.A O no hydrogen 2.848 N/A THR 105.A N GLU 79.A O no hydrogen 2.999 N/A GLU 106.A N GLU 79.A O no hydrogen 3.125 N/A ASP 108.A N LYS 77.A O no hydrogen 2.857 N/A SER 115.A N ILE 112.A O no hydrogen 3.050 N/A SER 115.A OG ILE 112.A O no hydrogen 3.134 N/A TRP 117.A NE1 GLN 14.A O no hydrogen 2.823 N/A GLU 118.A N ASN 30.A O no hydrogen 2.804 N/A ILE 120.A N ALA 41.A O no hydrogen 2.811 N/A LEU 121.A N LEU 32.A O no hydrogen 2.730 N/A GLY 122.A N ASN 39.A O no hydrogen 3.021 N/A LEU 123.A N ASP 34.A O no hydrogen 2.878 N/A ALA 124.A N SER 37.A O no hydrogen 2.817 N/A TYR 125.A N TRP 189.A O no hydrogen 2.982 N/A ILE 128.A N TYR 125.A O no hydrogen 3.187 N/A ALA 129.A N ALA 126.A O no hydrogen 2.843 N/A ARG 130.A N ASN 39.A OD1 no hydrogen 2.859 N/A SER 134.A N ASP 132.A OD2 no hydrogen 2.684 N/A SER 134.A OG ASP 132.A OD2 no hydrogen 2.423 N/A LEU 135.A N ASP 132.A O no hydrogen 3.022 N/A SER 141.A N PRO 137.A O no hydrogen 3.169 N/A SER 141.A OG GLU 136.A OE1 no hydrogen 2.513 N/A SER 141.A OG PRO 137.A O no hydrogen 3.419 N/A LEU 142.A N PHE 138.A O no hydrogen 2.905 N/A VAL 143.A N PHE 139.A O no hydrogen 3.097 N/A LYS 144.A N ASP 140.A O no hydrogen 3.002 N/A LYS 144.A NZ GLU 136.A OE2 no hydrogen 3.462 N/A GLN 145.A N SER 141.A O no hydrogen 2.993 N/A GLN 145.A NE2 ARG 98.A O no hydrogen 2.933 N/A THR 146.A N LEU 142.A O no hydrogen 3.101 N/A THR 146.A OG1 LEU 142.A O no hydrogen 2.733 N/A VAL 148.A N THR 146.A OG1 no hydrogen 3.111 N/A LEU 151.A N PRO 149.A O no hydrogen 2.800 N/A PHE 152.A N PHE 337.A O no hydrogen 3.297 N/A SER 153.A N ILE 167.A O no hydrogen 2.834 N/A SER 153.A OG GLY 170.A O no hydrogen 2.910 N/A SER 153.A OG TYR 334.A OH no hydrogen 2.560 N/A LEU 154.A N VAL 335.A O no hydrogen 2.874 N/A GLN 155.A N SER 165.A O no hydrogen 2.874 N/A GLN 155.A NE2 LEU 175.A O no hydrogen 3.044 N/A GLN 155.A NE2 SER 349.A OG no hydrogen 3.171 N/A CYS 157.A N GLY 163.A O no hydrogen 2.913 N/A CYS 157.A SG GLN 155.A OE1 no hydrogen 3.378 N/A GLY 158.A N TYR 16.A OH no hydrogen 2.878 N/A VAL 162.A N GLY 10.A O no hydrogen 2.924 N/A GLY 164.A N LEU 8.A O no hydrogen 3.200 N/A SER 165.A N GLN 155.A O no hydrogen 2.883 N/A MET 166.A N ASN 7.A OD1 no hydrogen 2.757 N/A ILE 167.A N SER 153.A O no hydrogen 2.711 N/A GLY 169.A N LEU 151.A O no hydrogen 2.808 N/A ASP 172.A N TYR 334.A OH no hydrogen 2.955 N/A HIS 173.A ND1 TYR 176.A OH no hydrogen 3.042 N/A SER 174.A N ASP 172.A OD1 no hydrogen 2.908 N/A SER 174.A OG ASP 172.A OD1 no hydrogen 2.808 N/A LEU 175.A N ASP 172.A O no hydrogen 2.997 N/A TYR 176.A N HIS 173.A O no hydrogen 3.433 N/A TYR 176.A OH HIS 173.A ND1 no hydrogen 3.042 N/A THR 177.A N VAL 348.A O no hydrogen 3.064 N/A SER 179.A OG LEU 180.A O no hydrogen 3.110 N/A TRP 181.A N PHE 346.A O no hydrogen 2.854 N/A THR 183.A N ILE 344.A O no hydrogen 2.881 N/A THR 183.A OG1 MET 280.A O no hydrogen 2.796 N/A ILE 185.A N LYS 342.A O no hydrogen 2.799 N/A ARG 186.A N GLU 192.A O no hydrogen 2.943 N/A ARG 186.A NH1 GLU 192.A OE2 no hydrogen 3.297 N/A ARG 186.A NH1 TYR 376.A O no hydrogen 2.892 N/A ARG 186.A NH2 TYR 376.A O no hydrogen 3.100 N/A ARG 187.A NH1 GLU 127.A OE2 no hydrogen 2.547 N/A TRP 189.A N ARG 187.A O no hydrogen 3.157 N/A TRP 189.A N TYR 190.A O no hydrogen 3.155 N/A TRP 189.A NE1 GLU 192.A OE1 no hydrogen 2.996 N/A TYR 191.A OH LEU 123.A O no hydrogen 2.546 N/A VAL 193.A N SER 217.A O no hydrogen 2.978 N/A ILE 195.A N ASN 213.A OD1 no hydrogen 2.853 N/A VAL 196.A N TYR 278.A O no hydrogen 2.864 N/A ARG 197.A NE GLU 199.A OE2 no hydrogen 3.218 N/A ARG 197.A NH2 GLU 199.A OE2 no hydrogen 3.529 N/A GLU 199.A N SER 276.A O no hydrogen 3.025 N/A ILE 200.A N GLN 203.A O no hydrogen 3.067 N/A ASN 201.A N VAL 274.A O no hydrogen 2.777 N/A GLN 203.A N ILE 200.A O no hydrogen 3.007 N/A LEU 205.A N VAL 198.A O no hydrogen 2.991 N/A LYS 206.A N ASP 204.A OD2 no hydrogen 2.887 N/A LYS 210.A N ASP 208.A OD1 no hydrogen 3.044 N/A LYS 210.A NZ ASP 373.A O no hydrogen 3.413 N/A GLU 211.A N ASP 208.A O no hydrogen 3.037 N/A TYR 212.A N CYS 209.A O no hydrogen 2.885 N/A ASN 213.A N LYS 210.A O no hydrogen 3.213 N/A ASN 213.A ND2 ILE 195.A O no hydrogen 2.827 N/A ASN 213.A ND2 CYS 374.A O no hydrogen 3.131 N/A TYR 214.A N GLU 211.A O no hydrogen 3.354 N/A LYS 216.A NZ THR 321.A O no hydrogen 2.317 N/A SER 217.A OG ASN 213.A OD1 no hydrogen 2.577 N/A ILE 218.A N THR 323.A O no hydrogen 3.130 N/A VAL 219.A N TYR 191.A O no hydrogen 2.962 N/A ASP 220.A N MET 325.A O no hydrogen 3.142 N/A SER 221.A N THR 35.A OG1 no hydrogen 2.938 N/A SER 221.A OG VAL 33.A O no hydrogen 2.621 N/A GLY 222.A N ASP 220.A OD1 no hydrogen 2.904 N/A THR 223.A N ASP 220.A O no hydrogen 3.261 N/A THR 223.A OG1 ASP 220.A OD2 no hydrogen 2.686 N/A ASN 225.A ND2 SER 317.A OG no hydrogen 3.384 N/A LEU 226.A N ALA 315.A O no hydrogen 2.932 N/A ARG 227.A N VAL 324.A O no hydrogen 2.876 N/A ARG 227.A NH2 GLN 318.A O no hydrogen 3.247 N/A LEU 228.A N SER 317.A O no hydrogen 2.592 N/A PHE 233.A N PRO 229.A O no hydrogen 2.855 N/A GLU 234.A N LYS 230.A O no hydrogen 2.901 N/A ALA 236.A N VAL 232.A O no hydrogen 2.852 N/A VAL 237.A N PHE 233.A O no hydrogen 3.023 N/A LYS 238.A N GLU 234.A O no hydrogen 2.924 N/A SER 239.A N ALA 235.A O no hydrogen 3.113 N/A ILE 240.A N ALA 236.A O no hydrogen 2.740 N/A LYS 241.A N VAL 237.A O no hydrogen 2.309 N/A ALA 242.A N LYS 238.A O no hydrogen 3.014 N/A ALA 243.A N SER 239.A O no hydrogen 3.021 N/A SER 244.A OG ILE 240.A O no hydrogen 2.810 N/A SER 244.A OG LYS 241.A O no hydrogen 3.279 N/A SER 245.A OG ALA 242.A O no hydrogen 3.354 N/A LEU 255.A N ASP 251.A O no hydrogen 3.433 N/A GLY 256.A N PHE 253.A O no hydrogen 2.984 N/A GLU 257.A N GLY 252.A O no hydrogen 2.987 N/A GLN 258.A NE2 GLU 257.A O no hydrogen 2.965 N/A VAL 260.A N TYR 312.A O no hydrogen 3.435 N/A TRP 262.A N ASP 310.A O no hydrogen 3.019 N/A GLY 265.A N ASP 310.A OD2 no hydrogen 2.522 N/A THR 266.A N GLN 263.A O no hydrogen 2.901 N/A THR 266.A OG1 GLN 263.A O no hydrogen 3.057 N/A THR 266.A OG1 ALA 264.A O no hydrogen 3.426 N/A THR 267.A N GLY 265.A O no hydrogen 2.714 N/A THR 267.A OG1 TYR 312.A OH no hydrogen 3.238 N/A ILE 271.A N PRO 268.A O no hydrogen 3.217 N/A PHE 272.A N TRP 269.A O no hydrogen 2.926 N/A VAL 274.A N ASN 201.A OD1 no hydrogen 2.845 N/A ILE 275.A N ILE 292.A O no hydrogen 2.985 N/A SER 276.A N GLU 199.A O no hydrogen 2.812 N/A SER 276.A OG THR 291.A OG1 no hydrogen 2.604 N/A LEU 277.A N ILE 290.A O no hydrogen 2.878 N/A TYR 278.A N ARG 197.A O no hydrogen 2.947 N/A TYR 278.A OH GLU 199.A OE1 no hydrogen 3.283 N/A TYR 278.A OH GLU 199.A OE2 no hydrogen 3.091 N/A LEU 279.A N PHE 288.A O no hydrogen 2.788 N/A MET 280.A N ILE 194.A O no hydrogen 3.022 N/A GLY 281.A N GLN 286.A O no hydrogen 2.889 N/A VAL 283.A N GLN 286.A OE1 no hydrogen 3.167 N/A GLN 286.A N VAL 283.A O no hydrogen 2.826 N/A GLN 286.A NE2 SER 287.A O no hydrogen 3.163 N/A SER 287.A N PHE 366.A O no hydrogen 2.901 N/A SER 287.A OG THR 368.A OG1 no hydrogen 2.795 N/A PHE 288.A N LEU 279.A O no hydrogen 3.199 N/A ARG 289.A N GLU 363.A O no hydrogen 2.819 N/A ARG 289.A NE GLU 363.A OE2 no hydrogen 3.414 N/A ARG 289.A NH1 TYR 278.A OH no hydrogen 3.238 N/A ARG 289.A NH2 GLU 363.A OE1 no hydrogen 3.018 N/A ARG 289.A NH2 GLU 363.A OE2 no hydrogen 2.861 N/A ILE 290.A N LEU 277.A O no hydrogen 2.819 N/A THR 291.A N ALA 361.A O no hydrogen 2.966 N/A THR 291.A OG1 SER 276.A OG no hydrogen 2.604 N/A ILE 292.A N ILE 275.A O no hydrogen 2.882 N/A GLN 296.A N LEU 293.A O no hydrogen 2.992 N/A TYR 297.A N LEU 293.A O no hydrogen 3.277 N/A TYR 297.A OH PRO 273.A O no hydrogen 2.685 N/A LEU 298.A N PRO 294.A O no hydrogen 2.706 N/A ARG 299.A N LYS 313.A O no hydrogen 3.385 N/A VAL 301.A N CYS 311.A O no hydrogen 2.878 N/A VAL 304.A N GLU 302.A O no hydrogen 3.239 N/A SER 307.A N VAL 304.A O no hydrogen 3.298 N/A ASP 310.A N TRP 262.A O no hydrogen 2.883 N/A CYS 311.A SG SER 307.A OG no hydrogen 3.574 N/A TYR 312.A N VAL 260.A O no hydrogen 2.834 N/A TYR 312.A OH THR 267.A OG1 no hydrogen 3.238 N/A LYS 313.A N ARG 299.A O no hydrogen 3.187 N/A ALA 315.A N TYR 297.A O no hydrogen 2.843 N/A SER 317.A N LEU 226.A O no hydrogen 3.216 N/A SER 319.A OG GLY 322.A O no hydrogen 2.994 N/A THR 323.A N LYS 216.A O no hydrogen 2.734 N/A THR 323.A OG1 TYR 212.A O no hydrogen 2.652 N/A VAL 324.A N ARG 227.A O no hydrogen 2.744 N/A MET 325.A N ILE 218.A O no hydrogen 2.883 N/A GLY 326.A N ASN 225.A O no hydrogen 3.283 N/A ALA 327.A N THR 223.A O no hydrogen 2.781 N/A VAL 328.A N THR 224.A O no hydrogen 3.066 N/A MET 330.A N GLY 326.A O no hydrogen 3.103 N/A GLU 331.A N ALA 327.A O no hydrogen 2.846 N/A GLY 332.A N ILE 329.A O no hydrogen 3.080 N/A PHE 333.A N MET 330.A O no hydrogen 2.892 N/A TYR 334.A N ALA 347.A O no hydrogen 2.811 N/A VAL 335.A N LEU 154.A O no hydrogen 2.918 N/A VAL 336.A N GLY 345.A O no hydrogen 2.842 N/A PHE 337.A N PHE 152.A O no hydrogen 2.890 N/A ASP 338.A N ARG 343.A O no hydrogen 2.853 N/A ARG 339.A NE ASN 150.A OD1 no hydrogen 2.968 N/A ARG 339.A NH1 ASP 140.A OD2 no hydrogen 3.095 N/A ARG 339.A NH2 TYR 191.A OH no hydrogen 2.964 N/A ALA 340.A N ASN 150.A O no hydrogen 2.932 N/A ARG 341.A N ASP 338.A O no hydrogen 3.055 N/A ARG 341.A N ASP 338.A OD1 no hydrogen 3.290 N/A LYS 342.A N ARG 339.A O no hydrogen 3.139 N/A ARG 343.A N ASP 338.A O no hydrogen 3.117 N/A ARG 343.A NE ASP 338.A OD2 no hydrogen 2.784 N/A ARG 343.A NH1 GLU 282.A OE2 no hydrogen 2.865 N/A ARG 343.A NH2 ASP 338.A OD2 no hydrogen 3.186 N/A ILE 344.A N THR 183.A O no hydrogen 2.842 N/A GLY 345.A N VAL 336.A O no hydrogen 2.756 N/A PHE 346.A N TRP 181.A O no hydrogen 2.700 N/A ALA 347.A N TYR 334.A O no hydrogen 3.131 N/A SER 349.A N GLY 332.A O no hydrogen 3.292 N/A ALA 350.A N LEU 175.A O no hydrogen 2.717 N/A CYS 351.A N SER 349.A OG no hydrogen 2.994 N/A CYS 351.A SG LEU 156.A O no hydrogen 4.032 N/A CYS 351.A SG SER 349.A OG no hydrogen 3.250 N/A PHE 357.A N ASP 355.A OD2 no hydrogen 2.942 N/A ARG 358.A N ASP 355.A OD2 no hydrogen 3.171 N/A ARG 358.A NH1 PHE 272.A O no hydrogen 2.433 N/A ARG 358.A NH2 TRP 269.A O no hydrogen 2.949 N/A ARG 358.A NH2 PHE 272.A O no hydrogen 3.123 N/A ALA 361.A N THR 291.A O no hydrogen 3.430 N/A GLU 363.A N ARG 289.A O no hydrogen 3.076 N/A PHE 366.A N SER 287.A O no hydrogen 2.909 N/A THR 368.A N ASN 285.A O no hydrogen 2.882 N/A THR 368.A OG1 SER 287.A OG no hydrogen 2.795 N/A CYS 374.A N MET 371.A O no hydrogen 3.311 N/A GLY 375.A N GLU 372.A O no hydrogen 2.966 N/A