Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6ooo_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A NE1 GLU 49.A OE1 no hydrogen 2.983 N/A LYS 4.A N GLN 338.A O no hydrogen 2.824 N/A LYS 4.A NZ GLU 340.A OE1 no hydrogen 3.394 N/A ALA 6.A N VAL 336.A O no hydrogen 3.507 N/A PHE 11.A N CYS 103.A O no hydrogen 3.044 N/A CYS 12.A SG ALA 31.A O no hydrogen 3.164 N/A ALA 13.A N HIS 101.A O no hydrogen 2.877 N/A SER 14.A N VAL 33.A O no hydrogen 3.109 N/A ALA 16.A N SER 14.A OG no hydrogen 3.277 N/A LYS 17.A N ASN 25.A OD1 no hydrogen 2.835 N/A GLU 20.A N LYS 17.A O no hydrogen 3.155 N/A GLU 22.A N GLU 20.A OE2 no hydrogen 2.936 N/A VAL 23.A N SER 94.A O no hydrogen 3.007 N/A HIS 24.A N GLU 22.A OE2 no hydrogen 3.029 N/A HIS 24.A ND1 GLU 22.A OE2 no hydrogen 2.857 N/A ASN 25.A N GLU 22.A OE1 no hydrogen 2.978 N/A ASN 25.A ND2 GLU 22.A OE1 no hydrogen 2.798 N/A VAL 26.A N GLU 22.A O no hydrogen 2.865 N/A TRP 27.A N VAL 23.A O no hydrogen 3.004 N/A ALA 28.A N HIS 24.A O no hydrogen 2.991 N/A THR 29.A N ASN 25.A O no hydrogen 2.885 N/A THR 29.A OG1 ASN 25.A O no hydrogen 2.872 N/A THR 29.A OG1 VAL 26.A O no hydrogen 2.492 N/A HIS 30.A N VAL 26.A O no hydrogen 3.403 N/A HIS 30.A NE2 GLN 72.A OE1 no hydrogen 3.121 N/A ALA 31.A N TRP 27.A O no hydrogen 2.774 N/A CYS 32.A N ALA 28.A O no hydrogen 3.066 N/A VAL 33.A N CYS 12.A O no hydrogen 2.928 N/A THR 35.A N SER 14.A O no hydrogen 2.915 N/A THR 35.A OG1 ASP 15.A OD1 no hydrogen 3.099 N/A ASN 38.A N ASP 36.A OD1 no hydrogen 3.146 N/A GLN 40.A NE2 PRO 39.A O no hydrogen 3.218 N/A ILE 42.A N SER 129.A O no hydrogen 3.024 N/A LEU 44.A N VAL 127.A O no hydrogen 2.999 N/A ASN 46.A N GLU 45.A OE2 no hydrogen 2.603 N/A VAL 47.A N LEU 44.A O no hydrogen 3.466 N/A GLU 49.A N CYS 124.A O no hydrogen 2.982 N/A PHE 51.A N GLY 122.A O no hydrogen 2.960 N/A MET 53.A N GLY 120.A O no hydrogen 2.824 N/A TRP 54.A N ASN 52.A OD1 no hydrogen 3.276 N/A LYS 55.A N ASN 52.A O no hydrogen 3.190 N/A MET 58.A N ASN 56.A OD1 no hydrogen 3.173 N/A VAL 59.A N ASN 56.A O no hydrogen 3.095 N/A GLN 61.A N ASN 57.A O no hydrogen 3.055 N/A MET 62.A N MET 58.A O no hydrogen 2.842 N/A HIS 63.A N VAL 59.A O no hydrogen 2.903 N/A GLU 64.A N GLU 60.A O no hydrogen 3.031 N/A ASP 65.A N GLN 61.A O no hydrogen 3.122 N/A ILE 66.A N MET 62.A O no hydrogen 2.986 N/A ILE 67.A N HIS 63.A O no hydrogen 3.012 N/A SER 68.A N GLU 64.A O no hydrogen 3.104 N/A SER 68.A OG GLU 64.A O no hydrogen 3.475 N/A SER 68.A OG ASP 65.A O no hydrogen 2.922 N/A LEU 69.A N ASP 65.A O no hydrogen 2.734 N/A TRP 70.A N ILE 66.A O no hydrogen 2.910 N/A ASP 71.A N ILE 67.A O no hydrogen 2.863 N/A GLN 72.A N SER 68.A O no hydrogen 3.203 N/A GLN 72.A NE2 SER 68.A O no hydrogen 3.078 N/A SER 73.A N LEU 69.A O no hydrogen 3.021 N/A SER 73.A OG LEU 69.A O no hydrogen 2.772 N/A LEU 74.A N TRP 70.A O no hydrogen 3.182 N/A CYS 77.A N MET 282.A O no hydrogen 2.848 N/A CYS 77.A SG MET 282.A O no hydrogen 4.019 N/A LYS 79.A N ILE 86.A O no hydrogen 2.775 N/A LEU 80.A N GLN 280.A O no hydrogen 2.888 N/A SER 84.A N THR 81.A O no hydrogen 3.114 N/A SER 84.A OG THR 81.A O no hydrogen 3.423 N/A ILE 86.A N LYS 79.A O no hydrogen 3.290 N/A GLN 88.A N CYS 77.A O no hydrogen 3.027 N/A LYS 92.A NZ GLU 241.A OE1 no hydrogen 3.258 N/A LYS 92.A NZ GLU 241.A OE2 no hydrogen 3.052 N/A LYS 92.A NZ ALA 284.A O no hydrogen 3.508 N/A LYS 92.A NZ PRO 285.A O no hydrogen 3.219 N/A ASP 96.A N GLU 22.A OE2 no hydrogen 2.777 N/A ILE 100.A N ILE 136.A O no hydrogen 2.610 N/A HIS 101.A N ALA 13.A O no hydrogen 2.862 N/A HIS 101.A ND1 THR 133.A O no hydrogen 2.891 N/A TYR 102.A N THR 133.A OG1 no hydrogen 3.057 N/A TYR 102.A OH ASP 65.A OD2 no hydrogen 3.127 N/A CYS 103.A N PHE 11.A O no hydrogen 2.952 N/A THR 104.A N GLN 131.A O no hydrogen 3.417 N/A THR 104.A OG1 TYR 108.A O no hydrogen 3.499 N/A THR 104.A OG1 GLN 131.A O no hydrogen 3.523 N/A TYR 108.A N PRO 105.A O no hydrogen 3.369 N/A VAL 109.A N VAL 337.A O no hydrogen 3.094 N/A ILE 110.A N VAL 130.A O no hydrogen 3.022 N/A LEU 111.A N LYS 335.A O no hydrogen 2.828 N/A LYS 112.A N SER 128.A O no hydrogen 2.829 N/A CYS 113.A N LYS 333.A O no hydrogen 2.782 N/A ASN 114.A N ASN 126.A O no hydrogen 2.729 N/A ASN 114.A ND2 ASN 126.A O no hydrogen 2.972 N/A ASN 114.A ND2 ASN 126.A OD1 no hydrogen 3.086 N/A ASN 114.A ND2 SER 128.A OG no hydrogen 3.079 N/A ASN 117.A ND2 GLU 153.A OE1 no hydrogen 3.325 N/A PHE 118.A N ASP 115.A O no hydrogen 3.038 N/A THR 121.A N ASN 119.A OD1 no hydrogen 2.999 N/A GLY 122.A N PHE 51.A O no hydrogen 3.097 N/A CYS 124.A N GLU 49.A O no hydrogen 2.636 N/A CYS 124.A SG ASN 126.A O no hydrogen 3.679 N/A LYS 125.A N ASP 115.A OD2 no hydrogen 3.131 N/A LYS 125.A NZ VAL 47.A O no hydrogen 3.062 N/A LYS 125.A NZ LYS 125.A O no hydrogen 2.892 N/A SER 128.A N LYS 112.A O no hydrogen 3.018 N/A SER 128.A OG GLU 41.A OE1 no hydrogen 2.887 N/A SER 128.A OG LYS 112.A O no hydrogen 3.477 N/A SER 129.A N ILE 42.A O no hydrogen 2.701 N/A VAL 130.A N ILE 110.A O no hydrogen 2.711 N/A THR 133.A N TYR 102.A O no hydrogen 2.775 N/A THR 133.A OG1 HIS 134.A O no hydrogen 3.177 N/A HIS 134.A N TYR 334.A OH no hydrogen 2.983 N/A HIS 134.A ND1 TYR 334.A OH no hydrogen 2.855 N/A ILE 136.A N ILE 100.A O no hydrogen 2.974 N/A VAL 139.A N LYS 137.A O no hydrogen 2.955 N/A SER 141.A OG THR 142.A O no hydrogen 3.374 N/A SER 141.A OG LEU 144.A O no hydrogen 2.323 N/A THR 142.A N THR 235.A O no hydrogen 3.112 N/A THR 142.A OG1 GLU 230.A O no hydrogen 2.953 N/A THR 142.A OG1 MET 233.A O no hydrogen 3.158 N/A THR 142.A OG1 THR 235.A OG1 no hydrogen 2.842 N/A GLN 143.A NE2 ILE 231.A O no hydrogen 2.909 N/A GLN 143.A NE2 THR 232.A O no hydrogen 3.120 N/A LEU 144.A N THR 142.A O no hydrogen 2.890 N/A LEU 145.A N GLY 299.A O no hydrogen 2.822 N/A ASN 147.A N ASN 296.A O no hydrogen 2.779 N/A GLY 148.A N THR 298.A OG1 no hydrogen 3.204 N/A SER 149.A N GLU 330.A OE1 no hydrogen 3.204 N/A SER 149.A N GLU 330.A OE2 no hydrogen 3.206 N/A SER 149.A OG HIS 134.A NE2 no hydrogen 3.382 N/A SER 149.A OG GLU 330.A OE1 no hydrogen 2.989 N/A ALA 151.A N LEU 173.A O no hydrogen 3.091 N/A GLU 154.A N ASN 117.A OD1 no hydrogen 3.335 N/A ILE 156.A N HIS 172.A O no hydrogen 3.034 N/A ARG 158.A N ILE 170.A O no hydrogen 2.863 N/A ARG 158.A NH1 PHE 118.A O no hydrogen 3.133 N/A ARG 158.A NH2 HIS 172.A ND1 no hydrogen 2.949 N/A ASN 161.A N SER 159.A OG no hydrogen 3.238 N/A THR 163.A N ASN 161.A OD1 no hydrogen 3.155 N/A ASN 164.A N ASN 161.A O no hydrogen 2.972 N/A ALA 166.A N ASN 164.A OD1 no hydrogen 2.949 N/A LYS 167.A N ASN 164.A O no hydrogen 3.402 N/A LYS 167.A NZ GLU 160.A OE1 no hydrogen 2.870 N/A ILE 169.A N LEU 302.A O no hydrogen 2.742 N/A ILE 170.A N ARG 158.A O no hydrogen 2.772 N/A VAL 171.A N ILE 300.A O no hydrogen 2.775 N/A HIS 172.A N ILE 156.A O no hydrogen 2.823 N/A HIS 172.A NE2 SER 149.A O no hydrogen 2.798 N/A LEU 173.A N THR 298.A O no hydrogen 3.051 N/A ASN 174.A ND2 GLU 153.A O no hydrogen 2.781 N/A VAL 177.A N ILE 297.A O no hydrogen 3.215 N/A ILE 179.A N SER 295.A O no hydrogen 2.956 N/A ASN 180.A N GLU 193.A O no hydrogen 2.922 N/A CYS 181.A N CYS 293.A O no hydrogen 2.872 N/A THR 182.A N TYR 191.A O no hydrogen 2.786 N/A ARG 183.A N ILE 291.A O no hydrogen 2.851 N/A ARG 183.A NE PRO 184.A O no hydrogen 2.841 N/A ARG 183.A NH1 ILE 187.A O no hydrogen 2.831 N/A ARG 183.A NH2 ILE 287.A O no hydrogen 2.953 N/A ARG 183.A NH2 GLY 289.A O no hydrogen 2.049 N/A ARG 188.A N ASP 186.A OD2 no hydrogen 3.069 N/A ARG 188.A NE GLN 270.A OE1 no hydrogen 3.511 N/A ARG 188.A NH1 ASP 186.A OD1 no hydrogen 3.377 N/A ARG 188.A NH2 GLN 270.A OE1 no hydrogen 3.054 N/A LYS 189.A N ASP 186.A O no hydrogen 3.407 N/A ALA 190.A N CYS 266.A O no hydrogen 2.933 N/A TYR 191.A N THR 182.A O no hydrogen 2.871 N/A CYS 192.A N LEU 264.A O no hydrogen 2.988 N/A GLU 193.A N ASN 180.A O no hydrogen 2.711 N/A ILE 194.A N ILE 262.A O no hydrogen 2.973 N/A GLY 196.A N GLY 260.A O no hydrogen 2.708 N/A THR 197.A OG1 ASN 259.A O no hydrogen 2.276 N/A TRP 199.A N ASN 195.A O no hydrogen 2.928 N/A TRP 199.A NE1 LEU 250.A O no hydrogen 3.023 N/A ASN 200.A N GLY 196.A O no hydrogen 2.866 N/A LYS 201.A N THR 197.A O no hydrogen 3.109 N/A VAL 202.A N LYS 198.A O no hydrogen 3.068 N/A LEU 203.A N TRP 199.A O no hydrogen 2.881 N/A LYS 204.A N ASN 200.A O no hydrogen 2.974 N/A GLN 205.A N LYS 201.A O no hydrogen 3.320 N/A VAL 206.A N VAL 202.A O no hydrogen 2.784 N/A THR 207.A N LEU 203.A O no hydrogen 2.843 N/A THR 207.A OG1 LEU 203.A O no hydrogen 3.286 N/A GLU 208.A N LYS 204.A O no hydrogen 3.048 N/A LYS 209.A N GLN 205.A O no hydrogen 2.993 N/A LYS 209.A NZ ILE 155.A O no hydrogen 3.047 N/A LEU 210.A N VAL 206.A O no hydrogen 2.915 N/A LYS 211.A N THR 207.A O no hydrogen 2.854 N/A LYS 211.A NZ GLU 208.A O no hydrogen 2.855 N/A LYS 211.A NZ GLU 208.A OE1 no hydrogen 3.093 N/A GLU 212.A N GLU 208.A O no hydrogen 3.069 N/A HIS 213.A N LEU 210.A O no hydrogen 2.864 N/A HIS 213.A ND1 LYS 209.A O no hydrogen 2.990 N/A PHE 214.A N LYS 211.A O no hydrogen 3.334 N/A ASN 216.A N LYS 211.A O no hydrogen 2.841 N/A LYS 217.A N PHE 214.A O no hydrogen 3.079 N/A LYS 217.A NZ ALA 308.A O no hydrogen 3.316 N/A LYS 217.A NZ THR 311.A O no hydrogen 2.222 N/A THR 218.A N SER 312.A O no hydrogen 3.339 N/A ILE 220.A N GLU 314.A O no hydrogen 2.927 N/A PHE 221.A N ASN 253.A OD1 no hydrogen 3.095 N/A GLN 222.A N PHE 316.A O no hydrogen 2.991 N/A ILE 231.A N ASP 228.A O no hydrogen 2.905 N/A THR 232.A N ASP 228.A O no hydrogen 2.980 N/A THR 232.A OG1 ASP 228.A O no hydrogen 3.306 N/A MET 233.A N LEU 229.A O no hydrogen 2.873 N/A HIS 234.A N CYS 245.A O no hydrogen 2.936 N/A HIS 234.A ND1 THR 142.A O no hydrogen 2.664 N/A THR 235.A N THR 142.A OG1 no hydrogen 3.156 N/A THR 235.A OG1 THR 142.A OG1 no hydrogen 2.842 N/A PHE 236.A N PHE 243.A O no hydrogen 3.228 N/A CYS 238.A N GLU 241.A O no hydrogen 2.868 N/A GLY 240.A N ASN 237.A OD1 no hydrogen 2.682 N/A GLU 241.A N CYS 238.A O no hydrogen 3.086 N/A PHE 243.A N PHE 236.A O no hydrogen 2.812 N/A TYR 244.A N LYS 267.A O no hydrogen 2.971 N/A TYR 244.A OH GLU 230.A OE2 no hydrogen 2.452 N/A CYS 245.A N HIS 234.A O no hydrogen 2.869 N/A ASN 246.A N PRO 265.A O no hydrogen 2.934 N/A THR 247.A OG1 GLN 143.A OE1 no hydrogen 2.584 N/A THR 248.A N ASN 246.A OD1 no hydrogen 2.839 N/A THR 248.A OG1 ASN 246.A OD1 no hydrogen 2.835 N/A GLN 249.A NE2 THR 263.A O no hydrogen 2.826 N/A LEU 250.A N THR 247.A O no hydrogen 2.624 N/A PHE 251.A N THR 247.A O no hydrogen 3.242 N/A ASN 253.A ND2 PHE 221.A O no hydrogen 2.737 N/A ASN 253.A ND2 PHE 251.A O no hydrogen 3.619 N/A THR 254.A N ASN 252.A OD1 no hydrogen 2.648 N/A THR 254.A OG1 ASN 252.A OD1 no hydrogen 2.657 N/A ILE 256.A N ASN 253.A O no hydrogen 2.992 N/A ILE 262.A N ILE 194.A O no hydrogen 2.924 N/A LEU 264.A N CYS 192.A O no hydrogen 2.796 N/A CYS 266.A N ALA 190.A O no hydrogen 2.933 N/A CYS 266.A SG LEU 264.A O no hydrogen 3.631 N/A LYS 267.A N TYR 244.A O no hydrogen 2.961 N/A ILE 268.A N ARG 188.A O no hydrogen 2.611 N/A LYS 269.A N PHE 242.A O no hydrogen 3.142 N/A LYS 269.A NZ ILE 271.A O no hydrogen 3.269 N/A GLN 270.A NE2 TYR 283.A O no hydrogen 2.705 N/A ILE 272.A N ALA 281.A O no hydrogen 2.861 N/A ASN 273.A N GLU 230.A OE2 no hydrogen 2.861 N/A MET 274.A N GLY 279.A O no hydrogen 2.754 N/A GLY 277.A N MET 274.A O no hydrogen 2.891 N/A GLN 280.A N LEU 80.A O no hydrogen 3.141 N/A ALA 281.A N ILE 272.A O no hydrogen 2.864 N/A MET 282.A N VAL 78.A O no hydrogen 3.130 N/A TYR 283.A N GLN 270.A O no hydrogen 2.792 N/A ILE 287.A N GLU 241.A OE2 no hydrogen 3.397 N/A ILE 291.A N ARG 183.A O no hydrogen 2.910 N/A ASN 292.A ND2 ASN 180.A OD1 no hydrogen 2.698 N/A ASN 292.A ND2 THR 182.A OG1 no hydrogen 2.748 N/A CYS 293.A N CYS 181.A O no hydrogen 2.909 N/A CYS 293.A SG ASN 292.A O no hydrogen 3.193 N/A SER 295.A N ILE 179.A O no hydrogen 3.018 N/A ASN 296.A N ASN 147.A OD1 no hydrogen 3.092 N/A ILE 297.A N VAL 177.A O no hydrogen 2.862 N/A THR 298.A N LEU 145.A O no hydrogen 2.955 N/A THR 298.A OG1 LEU 145.A O no hydrogen 3.392 N/A ILE 300.A N VAL 171.A O no hydrogen 2.967 N/A LEU 301.A N GLN 143.A O no hydrogen 3.015 N/A LEU 302.A N ILE 169.A O no hydrogen 2.895 N/A THR 303.A N ARG 317.A O no hydrogen 3.023 N/A ARG 304.A NH1 GLU 314.A OE2 no hydrogen 2.922 N/A ARG 304.A NH2 LEU 162.A O no hydrogen 2.983 N/A ASP 305.A N THR 315.A O no hydrogen 2.716 N/A THR 311.A N ALA 308.A O no hydrogen 3.269 N/A GLU 314.A N THR 218.A O no hydrogen 3.059 N/A THR 315.A OG1 ASP 305.A OD2 no hydrogen 2.437 N/A PHE 316.A N ILE 220.A O no hydrogen 2.853 N/A ARG 317.A N THR 303.A O no hydrogen 3.076 N/A ARG 317.A NE ASP 305.A OD1 no hydrogen 3.107 N/A ARG 317.A NH1 PRO 223.A O no hydrogen 3.160 N/A ARG 317.A NH2 ASP 305.A OD1 no hydrogen 3.477 N/A GLY 319.A N LEU 301.A O no hydrogen 2.604 N/A ARG 324.A N ASP 322.A OD1 no hydrogen 3.320 N/A ARG 324.A NE GLU 60.A OE2 no hydrogen 3.157 N/A ARG 324.A NH1 ASP 322.A OD2 no hydrogen 2.716 N/A ASP 325.A N ASP 322.A O no hydrogen 3.198 N/A ASN 326.A N MET 323.A O no hydrogen 3.154 N/A ASN 326.A ND2 VAL 139.A O no hydrogen 3.400 N/A ASN 326.A ND2 SER 141.A O no hydrogen 3.543 N/A TRP 327.A NE1 HIS 63.A ND1 no hydrogen 3.076 N/A ARG 328.A N ARG 324.A O no hydrogen 2.867 N/A ARG 328.A NE ASP 325.A OD2 no hydrogen 2.922 N/A ARG 328.A NH1 MET 53.A O no hydrogen 3.554 N/A SER 329.A N ASP 325.A O no hydrogen 2.935 N/A SER 329.A OG ASN 326.A O no hydrogen 2.997 N/A GLU 330.A N TRP 327.A O no hydrogen 3.122 N/A LEU 331.A N TRP 327.A O no hydrogen 3.037 N/A LEU 331.A N ARG 328.A O no hydrogen 3.154 N/A TYR 334.A N LEU 331.A O no hydrogen 3.041 N/A TYR 334.A OH HIS 134.A ND1 no hydrogen 2.855 N/A LYS 335.A N LEU 111.A O no hydrogen 3.145 N/A LYS 335.A NZ GLU 49.A OE2 no hydrogen 2.463 N/A LYS 335.A NZ ASN 50.A O no hydrogen 3.192 N/A VAL 337.A N VAL 109.A O no hydrogen 3.078 N/A GLN 338.A N LYS 4.A O no hydrogen 2.775 N/A ILE 339.A N GLY 107.A O no hydrogen 2.883 N/A GLU 340.A N VAL 2.A O no hydrogen 2.463 N/A