Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5qcr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 5.A N PHE 2.A O no hydrogen 2.900 N/A VAL 6.A N VAL 3.A O no hydrogen 3.076 N/A ASP 7.A N SER 163.A OG no hydrogen 2.827 N/A ASN 8.A N MET 5.A O no hydrogen 3.210 N/A ASN 8.A ND2 HIS 92.A O no hydrogen 2.977 N/A ASN 8.A ND2 MET 164.A O no hydrogen 2.910 N/A LEU 9.A N GLY 162.A O no hydrogen 2.962 N/A ARG 10.A N TYR 18.A O no hydrogen 3.015 N/A LYS 12.A N GLY 16.A O no hydrogen 3.111 N/A GLN 15.A NE2 ASN 114.A O no hydrogen 3.583 N/A GLY 16.A N LYS 12.A O no hydrogen 2.680 N/A TYR 17.A OH CYS 158.A O no hydrogen 2.913 N/A TYR 17.A OH GLU 329.A OE1 no hydrogen 2.588 N/A TYR 18.A N ARG 10.A O no hydrogen 2.771 N/A VAL 19.A N ILE 32.A O no hydrogen 2.867 N/A MET 21.A N LEU 30.A O no hydrogen 2.843 N/A THR 22.A N SER 89.A O no hydrogen 2.847 N/A VAL 23.A N GLN 28.A O no hydrogen 2.821 N/A GLY 24.A N LEU 87.A O no hydrogen 2.818 N/A SER 25.A N SER 60.A OG no hydrogen 3.093 N/A SER 25.A OG THR 62.A OG1 no hydrogen 2.584 N/A GLN 28.A N VAL 23.A O no hydrogen 2.805 N/A GLN 28.A NE2 GLN 56.A O no hydrogen 2.955 N/A LEU 30.A N MET 21.A O no hydrogen 2.807 N/A ASN 31.A N GLU 119.A OE2 no hydrogen 2.925 N/A ASN 31.A ND2 ASN 117.A O no hydrogen 2.998 N/A ILE 32.A N VAL 19.A O no hydrogen 2.835 N/A LEU 33.A N GLY 120.A O no hydrogen 2.836 N/A VAL 34.A N TYR 17.A O no hydrogen 2.899 N/A ASP 35.A N LEU 122.A O no hydrogen 2.957 N/A THR 36.A N SER 219.A OG no hydrogen 3.112 N/A THR 36.A OG1 VAL 217.A O no hydrogen 2.871 N/A GLY 37.A N ASP 35.A OD1 no hydrogen 2.999 N/A SER 38.A OG ASP 35.A OD2 no hydrogen 2.454 N/A SER 39.A OG TYR 126.A O no hydrogen 2.621 N/A ASN 40.A ND2 ARG 131.A O no hydrogen 2.858 N/A ALA 42.A N ILE 121.A O no hydrogen 2.988 N/A VAL 43.A N ALA 103.A O no hydrogen 3.027 N/A GLY 44.A N GLU 119.A O no hydrogen 2.792 N/A ALA 45.A N ILE 105.A O no hydrogen 2.917 N/A PHE 50.A N HIS 48.A ND1 no hydrogen 3.064 N/A LEU 51.A N HIS 48.A O no hydrogen 2.979 N/A ARG 53.A NE GLU 119.A OE2 no hydrogen 3.485 N/A TYR 55.A N GLY 44.A O no hydrogen 2.795 N/A TYR 55.A OH ASP 86.A OD2 no hydrogen 2.511 N/A GLN 56.A N GLN 28.A OE1 no hydrogen 2.868 N/A LEU 59.A N GLN 56.A O no hydrogen 3.013 N/A SER 60.A N ARG 57.A O no hydrogen 3.055 N/A SER 60.A OG ASP 86.A OD1 no hydrogen 3.303 N/A SER 60.A OG ASP 86.A OD2 no hydrogen 2.744 N/A SER 61.A N SER 25.A O no hydrogen 2.902 N/A SER 61.A OG SER 25.A O no hydrogen 3.502 N/A THR 62.A OG1 SER 25.A OG no hydrogen 2.584 N/A THR 62.A OG1 SER 60.A OG no hydrogen 3.335 N/A THR 62.A OG1 ASP 86.A OD1 no hydrogen 2.720 N/A ARG 64.A N THR 85.A O no hydrogen 2.938 N/A LEU 66.A N LEU 83.A O no hydrogen 3.168 N/A ARG 67.A N ASP 65.A OD1 no hydrogen 2.654 N/A LYS 68.A N GLU 82.A OE1 no hydrogen 2.740 N/A VAL 70.A N GLY 81.A O no hydrogen 2.985 N/A VAL 72.A N TRP 79.A O no hydrogen 3.008 N/A TYR 74.A N GLY 77.A O no hydrogen 2.825 N/A LYS 78.A N ASP 109.A O no hydrogen 3.182 N/A TRP 79.A N VAL 72.A O no hydrogen 3.157 N/A TRP 79.A NE1 TYR 74.A OH no hydrogen 2.950 N/A GLU 80.A N GLU 107.A O no hydrogen 2.861 N/A GLY 81.A N VAL 70.A O no hydrogen 2.860 N/A GLU 82.A N ALA 104.A O no hydrogen 3.031 N/A LEU 83.A N LYS 68.A O no hydrogen 2.807 N/A GLY 84.A N ILE 102.A O no hydrogen 2.943 N/A THR 85.A N ARG 64.A O no hydrogen 2.883 N/A ASP 86.A N ALA 100.A O no hydrogen 3.249 N/A LEU 87.A N ASP 86.A OD1 no hydrogen 2.786 N/A VAL 88.A N VAL 98.A O no hydrogen 2.758 N/A SER 89.A N THR 22.A O no hydrogen 2.928 N/A SER 89.A OG VAL 96.A O no hydrogen 3.315 N/A SER 89.A OG THR 97.A OG1 no hydrogen 2.612 N/A VAL 96.A N PRO 94.A O no hydrogen 2.872 N/A THR 97.A OG1 SER 89.A OG no hydrogen 2.612 N/A VAL 98.A N VAL 88.A O no hydrogen 3.048 N/A ARG 99.A N GLN 146.A OE1 no hydrogen 2.966 N/A ARG 99.A NH1 THR 62.A O no hydrogen 3.094 N/A ARG 99.A NH1 THR 85.A OG1 no hydrogen 2.836 N/A ARG 99.A NH2 THR 62.A O no hydrogen 2.873 N/A ALA 100.A N ASP 86.A O no hydrogen 3.029 N/A ASN 101.A ND2 GLU 137.A O no hydrogen 2.833 N/A ILE 102.A N GLY 84.A O no hydrogen 2.671 N/A ALA 103.A N PHE 41.A O no hydrogen 2.994 N/A ALA 104.A N GLU 82.A O no hydrogen 2.812 N/A ILE 105.A N VAL 43.A O no hydrogen 2.752 N/A THR 106.A N GLU 80.A O no hydrogen 3.001 N/A THR 106.A OG1 GLU 80.A O no hydrogen 3.368 N/A GLU 107.A N GLU 80.A O no hydrogen 3.217 N/A ASP 109.A N LYS 78.A O no hydrogen 2.854 N/A LYS 110.A NZ ASP 109.A OD2 no hydrogen 3.035 N/A SER 116.A N ILE 113.A O no hydrogen 3.107 N/A SER 116.A OG ILE 113.A O no hydrogen 3.187 N/A ASN 117.A ND2 TYR 18.A OH no hydrogen 2.757 N/A TRP 118.A N SER 116.A OG no hydrogen 3.266 N/A TRP 118.A NE1 GLN 15.A O no hydrogen 2.847 N/A GLU 119.A N ASN 31.A O no hydrogen 2.816 N/A ILE 121.A N ALA 42.A O no hydrogen 2.761 N/A LEU 122.A N LEU 33.A O no hydrogen 2.677 N/A GLY 123.A N ASN 40.A O no hydrogen 2.987 N/A LEU 124.A N ASP 35.A O no hydrogen 2.826 N/A ALA 125.A N SER 38.A O no hydrogen 2.724 N/A TYR 126.A N TRP 187.A O no hydrogen 3.109 N/A ILE 129.A N TYR 126.A O no hydrogen 3.232 N/A ALA 130.A N ALA 127.A O no hydrogen 2.817 N/A ARG 131.A N ASN 40.A OD1 no hydrogen 2.800 N/A SER 135.A N ASP 133.A OD2 no hydrogen 2.904 N/A SER 135.A OG ASP 133.A OD2 no hydrogen 2.464 N/A LEU 136.A N ASP 133.A O no hydrogen 3.290 N/A SER 142.A N PRO 138.A O no hydrogen 2.970 N/A SER 142.A OG GLU 137.A OE2 no hydrogen 2.575 N/A SER 142.A OG PRO 138.A O no hydrogen 3.344 N/A LEU 143.A N PHE 139.A O no hydrogen 2.754 N/A VAL 144.A N PHE 140.A O no hydrogen 2.972 N/A LYS 145.A N ASP 141.A O no hydrogen 2.982 N/A GLN 146.A N SER 142.A O no hydrogen 2.995 N/A GLN 146.A NE2 ARG 99.A O no hydrogen 2.921 N/A THR 147.A N LEU 143.A O no hydrogen 3.079 N/A THR 147.A OG1 LEU 143.A O no hydrogen 2.781 N/A VAL 149.A N THR 147.A OG1 no hydrogen 3.111 N/A LEU 152.A N PRO 150.A O no hydrogen 2.863 N/A PHE 153.A N PHE 335.A O no hydrogen 3.257 N/A SER 154.A N ILE 165.A O no hydrogen 2.911 N/A SER 154.A OG GLY 168.A O no hydrogen 2.825 N/A SER 154.A OG TYR 332.A OH no hydrogen 2.572 N/A LEU 155.A N VAL 333.A O no hydrogen 2.836 N/A GLN 156.A N SER 163.A O no hydrogen 2.853 N/A GLN 156.A NE2 LEU 173.A O no hydrogen 3.497 N/A GLN 156.A NE2 SER 347.A OG no hydrogen 3.214 N/A CYS 158.A N GLY 161.A O no hydrogen 3.127 N/A SER 163.A N GLN 156.A O no hydrogen 2.863 N/A SER 163.A OG GLN 156.A OE1 no hydrogen 3.130 N/A MET 164.A N ASN 8.A OD1 no hydrogen 2.713 N/A ILE 165.A N SER 154.A O no hydrogen 2.886 N/A GLY 167.A N LEU 152.A O no hydrogen 2.847 N/A ASP 170.A N TYR 332.A OH no hydrogen 2.850 N/A SER 172.A N ASP 170.A OD2 no hydrogen 3.005 N/A SER 172.A OG ASP 170.A OD2 no hydrogen 2.682 N/A LEU 173.A N ASP 170.A O no hydrogen 3.000 N/A TYR 174.A N HIS 171.A O no hydrogen 3.528 N/A TYR 174.A OH HIS 171.A ND1 no hydrogen 2.779 N/A THR 175.A N VAL 346.A O no hydrogen 3.056 N/A TRP 179.A N PHE 344.A O no hydrogen 2.824 N/A THR 181.A N ILE 342.A O no hydrogen 2.829 N/A THR 181.A OG1 MET 278.A O no hydrogen 2.595 N/A ILE 183.A N LYS 340.A O no hydrogen 2.905 N/A ARG 184.A N GLU 190.A O no hydrogen 2.828 N/A ARG 184.A NH1 GLU 190.A OE2 no hydrogen 3.072 N/A ARG 184.A NH1 TYR 374.A O no hydrogen 2.965 N/A ARG 184.A NH2 TYR 374.A O no hydrogen 3.039 N/A ARG 185.A NH1 GLU 128.A OE1 no hydrogen 2.856 N/A TRP 187.A N ARG 185.A O no hydrogen 3.077 N/A TRP 187.A N TYR 188.A O no hydrogen 3.193 N/A TRP 187.A NE1 GLU 190.A OE1 no hydrogen 2.787 N/A TYR 189.A OH LEU 124.A O no hydrogen 2.596 N/A VAL 191.A N SER 215.A O no hydrogen 2.806 N/A ILE 193.A N ASN 211.A OD1 no hydrogen 2.826 N/A VAL 194.A N TYR 276.A O no hydrogen 2.760 N/A GLU 197.A N SER 274.A O no hydrogen 2.892 N/A ILE 198.A N GLN 201.A O no hydrogen 2.909 N/A ASN 199.A N VAL 272.A O no hydrogen 2.921 N/A GLN 201.A N ILE 198.A O no hydrogen 3.056 N/A LEU 203.A N VAL 196.A O no hydrogen 2.980 N/A LYS 204.A N ASP 202.A OD1 no hydrogen 2.616 N/A LYS 208.A N ASP 206.A OD1 no hydrogen 2.806 N/A LYS 208.A NZ ASP 371.A O no hydrogen 2.733 N/A GLU 209.A N ASP 206.A O no hydrogen 2.703 N/A TYR 210.A N CYS 207.A O no hydrogen 3.104 N/A ASN 211.A N LYS 208.A O no hydrogen 3.174 N/A ASN 211.A ND2 ILE 193.A O no hydrogen 2.880 N/A ASN 211.A ND2 CYS 372.A O no hydrogen 2.879 N/A TYR 212.A N GLU 209.A O no hydrogen 3.266 N/A LYS 214.A NZ ASP 213.A OD1 no hydrogen 3.096 N/A LYS 214.A NZ THR 319.A O no hydrogen 2.684 N/A SER 215.A OG ASN 211.A OD1 no hydrogen 2.843 N/A ILE 216.A N THR 321.A O no hydrogen 3.032 N/A VAL 217.A N TYR 189.A O no hydrogen 3.099 N/A ASP 218.A N MET 323.A O no hydrogen 2.996 N/A SER 219.A N THR 36.A OG1 no hydrogen 2.911 N/A SER 219.A OG VAL 34.A O no hydrogen 2.789 N/A GLY 220.A N ASP 218.A OD1 no hydrogen 2.829 N/A THR 221.A N ASP 218.A O no hydrogen 3.371 N/A THR 221.A OG1 ASP 218.A OD2 no hydrogen 2.723 N/A THR 222.A OG1 SER 13.A O no hydrogen 2.473 N/A THR 222.A OG1 GLY 14.A O no hydrogen 3.261 N/A ASN 223.A ND2 SER 315.A OG no hydrogen 2.924 N/A LEU 224.A N ALA 313.A O no hydrogen 3.046 N/A ARG 225.A N VAL 322.A O no hydrogen 3.016 N/A LEU 226.A N SER 315.A O no hydrogen 2.922 N/A LYS 228.A NZ GLU 232.A OE2 no hydrogen 3.519 N/A PHE 231.A N PRO 227.A O no hydrogen 2.752 N/A GLU 232.A N LYS 228.A O no hydrogen 2.931 N/A ALA 233.A N LYS 229.A O no hydrogen 3.145 N/A ALA 234.A N VAL 230.A O no hydrogen 2.769 N/A VAL 235.A N PHE 231.A O no hydrogen 2.770 N/A LYS 236.A N GLU 232.A O no hydrogen 2.832 N/A SER 237.A N ALA 233.A O no hydrogen 2.959 N/A ILE 238.A N ALA 234.A O no hydrogen 2.861 N/A LYS 239.A N VAL 235.A O no hydrogen 2.795 N/A ALA 240.A N LYS 236.A O no hydrogen 3.123 N/A ALA 241.A N SER 237.A O no hydrogen 3.085 N/A SER 242.A N ILE 238.A O no hydrogen 3.146 N/A SER 242.A N LYS 239.A O no hydrogen 3.141 N/A SER 242.A OG ILE 238.A O no hydrogen 2.989 N/A SER 242.A OG LYS 239.A O no hydrogen 3.489 N/A SER 243.A N ALA 240.A O no hydrogen 3.434 N/A SER 243.A OG ALA 240.A O no hydrogen 3.210 N/A GLU 245.A N SER 242.A O no hydrogen 2.997 N/A PHE 251.A N PRO 248.A O no hydrogen 2.856 N/A LEU 253.A N GLY 250.A O no hydrogen 3.222 N/A GLY 254.A N PHE 251.A O no hydrogen 2.820 N/A GLU 255.A N GLY 250.A O no hydrogen 2.970 N/A GLN 256.A N GLY 250.A O no hydrogen 3.187 N/A VAL 258.A N TYR 310.A O no hydrogen 2.905 N/A TRP 260.A N ASP 308.A O no hydrogen 3.029 N/A TRP 260.A NE1 GLU 245.A OE1 no hydrogen 2.909 N/A ALA 262.A N GLN 306.A O no hydrogen 3.366 N/A GLY 263.A N ASP 308.A OD1 no hydrogen 3.416 N/A THR 264.A N GLN 261.A O no hydrogen 2.792 N/A THR 264.A OG1 GLN 261.A O no hydrogen 2.623 N/A THR 265.A OG1 TYR 310.A OH no hydrogen 3.024 N/A TRP 267.A N THR 265.A O no hydrogen 2.881 N/A ILE 269.A N PRO 266.A O no hydrogen 3.082 N/A PHE 270.A N TRP 267.A O no hydrogen 2.920 N/A VAL 272.A N ASN 199.A OD1 no hydrogen 3.068 N/A ILE 273.A N ILE 290.A O no hydrogen 2.994 N/A SER 274.A N GLU 197.A O no hydrogen 2.761 N/A SER 274.A OG THR 289.A OG1 no hydrogen 3.214 N/A LEU 275.A N ILE 288.A O no hydrogen 2.949 N/A TYR 276.A N ARG 195.A O no hydrogen 2.899 N/A TYR 276.A OH GLU 197.A OE1 no hydrogen 2.544 N/A LEU 277.A N PHE 286.A O no hydrogen 2.847 N/A MET 278.A N ILE 192.A O no hydrogen 3.040 N/A GLY 279.A N GLN 284.A O no hydrogen 2.795 N/A VAL 281.A N GLN 284.A OE1 no hydrogen 3.021 N/A GLN 284.A N VAL 281.A O no hydrogen 3.089 N/A GLN 284.A NE2 SER 285.A O no hydrogen 3.086 N/A SER 285.A N PHE 364.A O no hydrogen 2.886 N/A SER 285.A OG THR 366.A OG1 no hydrogen 2.668 N/A PHE 286.A N LEU 277.A O no hydrogen 3.199 N/A ARG 287.A N GLU 361.A O no hydrogen 2.865 N/A ARG 287.A NE GLU 361.A OE2 no hydrogen 3.047 N/A ARG 287.A NH1 TYR 276.A OH no hydrogen 2.982 N/A ARG 287.A NH2 GLU 361.A OE2 no hydrogen 2.744 N/A ILE 288.A N LEU 275.A O no hydrogen 2.969 N/A THR 289.A N ALA 359.A O no hydrogen 2.920 N/A THR 289.A OG1 SER 274.A OG no hydrogen 3.214 N/A ILE 290.A N ILE 273.A O no hydrogen 2.672 N/A LEU 291.A N GLN 294.A OE1 no hydrogen 2.984 N/A GLN 293.A N GLN 293.A OE1 no hydrogen 2.832 N/A GLN 293.A NE2 ASP 353.A OD1 no hydrogen 3.393 N/A GLN 294.A N LEU 291.A O no hydrogen 2.966 N/A GLN 294.A NE2 VAL 326.A O no hydrogen 3.017 N/A TYR 295.A OH PRO 271.A O no hydrogen 2.540 N/A LEU 296.A N PRO 292.A O no hydrogen 2.778 N/A ARG 297.A N LYS 311.A O no hydrogen 2.823 N/A VAL 299.A N CYS 309.A O no hydrogen 2.889 N/A ALA 303.A N ASP 301.A OD1 no hydrogen 3.175 N/A GLN 306.A N THR 304.A O no hydrogen 2.392 N/A ASP 308.A N TRP 260.A O no hydrogen 2.621 N/A CYS 309.A SG ASP 301.A OD2 no hydrogen 3.649 N/A TYR 310.A N VAL 258.A O no hydrogen 2.758 N/A TYR 310.A OH THR 265.A OG1 no hydrogen 3.024 N/A LYS 311.A N ARG 297.A O no hydrogen 2.861 N/A ALA 313.A N TYR 295.A O no hydrogen 2.800 N/A SER 315.A N LEU 224.A O no hydrogen 2.992 N/A SER 317.A N LEU 226.A O no hydrogen 2.682 N/A SER 317.A OG GLY 320.A O no hydrogen 2.702 N/A THR 319.A N SER 317.A OG no hydrogen 2.996 N/A THR 321.A N LYS 214.A O no hydrogen 2.821 N/A THR 321.A OG1 TYR 210.A O no hydrogen 2.594 N/A VAL 322.A N ARG 225.A O no hydrogen 2.854 N/A MET 323.A N ILE 216.A O no hydrogen 2.862 N/A ALA 325.A N THR 221.A O no hydrogen 2.643 N/A VAL 326.A N THR 222.A O no hydrogen 2.885 N/A ILE 327.A N GLY 324.A O no hydrogen 3.006 N/A MET 328.A N GLY 324.A O no hydrogen 3.085 N/A GLU 329.A N ALA 325.A O no hydrogen 2.932 N/A GLY 330.A N LEU 157.A O no hydrogen 3.371 N/A PHE 331.A N MET 328.A O no hydrogen 2.945 N/A TYR 332.A N ALA 345.A O no hydrogen 2.748 N/A VAL 333.A N LEU 155.A O no hydrogen 2.951 N/A VAL 334.A N GLY 343.A O no hydrogen 2.801 N/A PHE 335.A N PHE 153.A O no hydrogen 2.787 N/A ASP 336.A N ARG 341.A O no hydrogen 2.891 N/A ARG 337.A N PHE 335.A O no hydrogen 3.051 N/A ARG 337.A NE ASN 151.A OD1 no hydrogen 2.930 N/A ARG 337.A NH1 TYR 189.A OH no hydrogen 2.789 N/A ARG 337.A NH2 ASP 141.A OD2 no hydrogen 3.231 N/A ALA 338.A N ASN 151.A O no hydrogen 2.973 N/A ARG 339.A N ASP 336.A O no hydrogen 3.183 N/A ARG 339.A N ASP 336.A OD1 no hydrogen 3.209 N/A LYS 340.A N ARG 337.A O no hydrogen 3.056 N/A ARG 341.A N ASP 336.A O no hydrogen 3.110 N/A ARG 341.A NE ASP 336.A OD2 no hydrogen 2.757 N/A ARG 341.A NH2 ASP 336.A OD2 no hydrogen 3.201 N/A ILE 342.A N THR 181.A O no hydrogen 2.848 N/A GLY 343.A N VAL 334.A O no hydrogen 2.806 N/A PHE 344.A N TRP 179.A O no hydrogen 2.752 N/A ALA 345.A N TYR 332.A O no hydrogen 3.043 N/A SER 347.A N GLY 330.A O no hydrogen 2.680 N/A ALA 348.A N LEU 173.A O no hydrogen 2.894 N/A CYS 349.A N SER 347.A OG no hydrogen 2.854 N/A CYS 349.A SG LEU 157.A O no hydrogen 3.741 N/A CYS 349.A SG SER 347.A OG no hydrogen 3.272 N/A HIS 352.A ND1 HIS 350.A O no hydrogen 3.214 N/A PHE 355.A N ASP 353.A OD2 no hydrogen 2.822 N/A ARG 356.A N ASP 353.A OD2 no hydrogen 2.809 N/A ARG 356.A NH1 PHE 270.A O no hydrogen 2.741 N/A ARG 356.A NH2 TRP 267.A O no hydrogen 2.990 N/A GLU 361.A N ARG 287.A O no hydrogen 2.926 N/A PHE 364.A N SER 285.A O no hydrogen 2.833 N/A THR 366.A N ASN 283.A O no hydrogen 2.917 N/A THR 366.A OG1 SER 285.A OG no hydrogen 2.668 N/A ASP 371.A N ASP 368.A O no hydrogen 3.159 N/A CYS 372.A N MET 369.A O no hydrogen 2.991 N/A GLY 373.A N GLU 370.A O no hydrogen 3.457 N/A