Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4psx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N LYS 1.A O no hydrogen 3.113 N/A THR 4.A OG1 LYS 1.A O no hydrogen 2.654 N/A TRP 5.A N PRO 2.A O no hydrogen 3.331 N/A THR 6.A N GLU 3.A O no hydrogen 3.121 N/A SER 7.A N ILE 40.A O no hydrogen 2.920 N/A SER 7.A OG ILE 40.A O no hydrogen 3.515 N/A ALA 9.A N GLU 38.A O no hydrogen 2.885 N/A ASN 10.A ND2 GLU 38.A OE1 no hydrogen 2.633 N/A GLU 11.A N SER 8.A O no hydrogen 2.731 N/A ALA 12.A N SER 8.A O no hydrogen 2.872 N/A LEU 13.A N ALA 9.A O no hydrogen 2.856 N/A ARG 14.A N ILE 48.A O no hydrogen 2.662 N/A ARG 14.A NH1 GLN 24.A OE1 no hydrogen 3.050 N/A VAL 15.A N PHE 25.A O no hydrogen 3.008 N/A SER 16.A N LEU 50.A O no hydrogen 2.934 N/A ILE 17.A N VAL 23.A O no hydrogen 2.849 N/A VAL 18.A N PHE 52.A O no hydrogen 2.853 N/A GLY 19.A N ASN 21.A O no hydrogen 3.144 N/A VAL 23.A N ILE 17.A O no hydrogen 2.940 N/A PHE 25.A N VAL 15.A O no hydrogen 2.752 N/A SER 26.A OG ASN 10.A O no hydrogen 3.351 N/A LEU 28.A N LEU 153.A O no hydrogen 2.876 N/A PHE 29.A N LEU 153.A O no hydrogen 2.693 N/A THR 30.A N GLU 38.A OE2 no hydrogen 2.826 N/A THR 30.A OG1 ASN 10.A OD1 no hydrogen 2.981 N/A TYR 31.A N GLU 38.A OE2 no hydrogen 2.799 N/A ILE 33.A N THR 30.A O no hydrogen 2.823 N/A TYR 34.A N THR 30.A O no hydrogen 2.927 N/A TYR 34.A OH VAL 77.A O no hydrogen 2.938 N/A GLY 35.A N TYR 31.A O no hydrogen 2.875 N/A GLU 38.A N GLY 35.A O no hydrogen 2.984 N/A LYS 39.A N SER 37.A OG no hydrogen 2.947 N/A ILE 40.A N SER 7.A O no hydrogen 2.876 N/A GLY 42.A N TRP 5.A O no hydrogen 2.883 N/A TYR 43.A OH VAL 75.A O no hydrogen 2.659 N/A LYS 44.A N ALA 67.A O no hydrogen 2.836 N/A LYS 44.A NZ ASP 45.A OD2 no hydrogen 3.407 N/A ILE 47.A N LYS 64.A O no hydrogen 2.724 N/A ILE 48.A N ALA 12.A O no hydrogen 2.905 N/A HIS 49.A N ASN 62.A O no hydrogen 3.053 N/A LEU 50.A N ARG 14.A O no hydrogen 2.836 N/A ALA 51.A N TYR 60.A O no hydrogen 2.912 N/A PHE 52.A N SER 16.A O no hydrogen 2.873 N/A ASP 53.A N LYS 58.A O no hydrogen 3.418 N/A SER 54.A N VAL 18.A O no hydrogen 3.062 N/A SER 54.A OG GLU 180.A OE2 no hydrogen 2.583 N/A VAL 55.A N ASP 53.A OD2 no hydrogen 3.317 N/A THR 56.A N ASP 53.A OD2 no hydrogen 2.433 N/A THR 56.A OG1 ASP 53.A OD2 no hydrogen 2.674 N/A PHE 57.A N ASP 53.A O no hydrogen 2.872 N/A LYS 58.A N THR 56.A OG1 no hydrogen 3.279 N/A LYS 58.A NZ ASP 89.A O no hydrogen 2.952 N/A LYS 58.A NZ ASP 89.A OD1 no hydrogen 2.523 N/A TYR 60.A N ALA 51.A O no hydrogen 2.779 N/A TYR 60.A OH ARG 93.A O no hydrogen 2.837 N/A VAL 61.A N ILE 91.A O no hydrogen 3.029 N/A ASN 62.A N HIS 49.A O no hydrogen 3.140 N/A LYS 64.A N ILE 47.A O no hydrogen 2.827 N/A SER 66.A N LYS 44.A O no hydrogen 2.899 N/A SER 66.A OG LYS 44.A O no hydrogen 3.465 N/A SER 66.A OG ASP 45.A OD2 no hydrogen 3.113 N/A LYS 68.A NZ TYR 43.A OH no hydrogen 2.739 N/A LEU 69.A N GLY 42.A O no hydrogen 2.781 N/A VAL 77.A N TYR 43.A OH no hydrogen 3.397 N/A LYS 79.A N ASP 76.A OD1 no hydrogen 3.264 N/A LYS 80.A N ASP 76.A O no hydrogen 2.943 N/A LYS 80.A NZ ILE 33.A O no hydrogen 3.567 N/A LEU 81.A N VAL 77.A O no hydrogen 2.940 N/A LEU 82.A N GLU 78.A O no hydrogen 2.753 N/A SER 83.A N LYS 79.A O no hydrogen 3.052 N/A SER 83.A N LYS 80.A O no hydrogen 3.209 N/A SER 83.A OG LYS 80.A O no hydrogen 2.828 N/A PHE 84.A N LEU 81.A O no hydrogen 2.977 N/A LEU 85.A N LEU 82.A O no hydrogen 2.930 N/A ASP 89.A N PRO 86.A O no hydrogen 3.307 N/A ILE 91.A N PRO 59.A O no hydrogen 3.206 N/A ARG 93.A N VAL 61.A O no hydrogen 2.754 N/A LYS 97.A N ASP 94.A OD1 no hydrogen 2.988 N/A TRP 98.A N ASP 94.A O no hydrogen 2.992 N/A TRP 98.A NE1 LYS 58.A O no hydrogen 2.744 N/A VAL 99.A N GLU 95.A O no hydrogen 2.818 N/A ASP 100.A N ALA 96.A O no hydrogen 2.882 N/A CYS 101.A N LYS 97.A O no hydrogen 2.959 N/A PHE 102.A N TRP 98.A O no hydrogen 3.205 N/A ALA 103.A N VAL 99.A O no hydrogen 2.925 N/A GLU 104.A N ASP 100.A O no hydrogen 3.026 N/A GLU 105.A N CYS 101.A O no hydrogen 3.166 N/A ARG 106.A N PHE 102.A O no hydrogen 3.090 N/A LYS 107.A NZ GLU 104.A OE1 no hydrogen 3.185 N/A LYS 107.A NZ GLU 104.A OE2 no hydrogen 3.085 N/A THR 108.A N GLU 105.A O no hydrogen 3.250 N/A HIS 109.A N ARG 106.A O no hydrogen 3.357 N/A SER 112.A OG ASN 110.A OD1 no hydrogen 3.421 N/A VAL 114.A N LEU 111.A O no hydrogen 2.957 N/A PHE 115.A N LEU 111.A O no hydrogen 3.006 N/A GLU 116.A N LYS 132.A O no hydrogen 3.271 N/A LYS 117.A NZ GLU 120.A OE2 no hydrogen 2.404 N/A VAL 118.A N VAL 130.A O no hydrogen 2.636 N/A TYR 121.A N PHE 128.A O no hydrogen 2.744 N/A TYR 121.A OH HIS 225.A ND1 no hydrogen 2.725 N/A LEU 123.A N GLU 126.A O no hydrogen 2.842 N/A GLU 126.A N LEU 123.A O no hydrogen 2.904 N/A PHE 128.A N TYR 121.A O no hydrogen 2.874 N/A VAL 129.A N LEU 174.A O no hydrogen 3.041 N/A VAL 130.A N SER 119.A O no hydrogen 2.897 N/A TYR 131.A N TRP 172.A O no hydrogen 2.689 N/A LYS 132.A N GLU 116.A O no hydrogen 2.936 N/A LYS 132.A NZ GLU 116.A OE2 no hydrogen 2.997 N/A SER 133.A N ILE 170.A O no hydrogen 2.932 N/A SER 133.A OG SER 134.A O no hydrogen 2.748 N/A VAL 136.A N SER 134.A OG no hydrogen 3.283 N/A PHE 139.A N ASP 137.A OD2 no hydrogen 2.591 N/A ALA 140.A N ASP 137.A OD2 no hydrogen 3.131 N/A ARG 141.A N ASP 137.A O no hydrogen 3.024 N/A ARG 141.A NE LEU 135.A O no hydrogen 2.725 N/A ARG 141.A NH2 GLU 163.A O no hydrogen 3.364 N/A ARG 142.A N ASP 138.A O no hydrogen 3.002 N/A ARG 142.A N PHE 139.A O no hydrogen 3.199 N/A MET 143.A N PHE 139.A O no hydrogen 3.152 N/A HIS 144.A N ALA 140.A O no hydrogen 2.842 N/A ARG 145.A N ARG 141.A O no hydrogen 3.162 N/A ARG 145.A NE GLU 163.A OE1 no hydrogen 2.941 N/A ARG 145.A NE GLU 163.A OE2 no hydrogen 3.282 N/A ARG 145.A NH2 GLU 163.A OE2 no hydrogen 2.384 N/A ARG 146.A NE ASP 89.A OD2 no hydrogen 2.594 N/A ARG 146.A NH1 THR 56.A O no hydrogen 2.787 N/A ARG 146.A NH1 GLU 105.A OE2 no hydrogen 3.181 N/A ARG 146.A NH2 ASP 89.A OD1 no hydrogen 2.981 N/A ARG 146.A NH2 ASP 89.A OD2 no hydrogen 3.016 N/A ARG 146.A NH2 GLU 105.A OE1 no hydrogen 3.095 N/A VAL 147.A N MET 143.A O no hydrogen 3.062 N/A GLN 148.A N HIS 144.A O no hydrogen 2.936 N/A PHE 150.A N VAL 147.A O no hydrogen 2.875 N/A SER 151.A N GLN 148.A O no hydrogen 2.917 N/A LEU 153.A N ILE 149.A O no hydrogen 3.003 N/A PHE 154.A N PHE 150.A O no hydrogen 3.059 N/A ILE 155.A N SER 151.A O no hydrogen 2.887 N/A ALA 157.A N TYR 31.A OH no hydrogen 2.918 N/A ALA 158.A N ILE 155.A O no hydrogen 3.276 N/A ASN 159.A ND2 TYR 160.A O no hydrogen 2.836 N/A TYR 160.A OH PHE 84.A O no hydrogen 2.545 N/A THR 164.A N ASP 162.A OD1 no hydrogen 2.968 N/A THR 164.A OG1 ASP 162.A OD1 no hydrogen 2.631 N/A THR 164.A OG1 ASP 162.A OD2 no hydrogen 3.380 N/A ASP 165.A N ASP 162.A O no hydrogen 2.993 N/A SER 167.A N ASP 165.A OD1 no hydrogen 3.109 N/A TRP 168.A N ASP 165.A O no hydrogen 3.040 N/A GLN 169.A N THR 187.A O no hydrogen 2.824 N/A ILE 170.A N SER 133.A O no hydrogen 2.915 N/A TYR 171.A N VAL 185.A O no hydrogen 2.904 N/A TYR 171.A OH SER 236.A OG no hydrogen 3.401 N/A TRP 172.A N TYR 131.A O no hydrogen 2.467 N/A TRP 172.A NE1 SER 133.A OG no hydrogen 3.128 N/A LEU 173.A N GLY 183.A O no hydrogen 3.030 N/A LEU 174.A N VAL 129.A O no hydrogen 2.998 N/A ASN 175.A N GLU 180.A O no hydrogen 2.776 N/A LYS 176.A N GLU 127.A O no hydrogen 2.990 N/A LYS 176.A NZ GLU 120.A OE1 no hydrogen 2.298 N/A LYS 176.A NZ GLU 127.A OE1 no hydrogen 3.558 N/A THR 178.A N ASN 175.A OD1 no hydrogen 2.847 N/A THR 178.A OG1 ASN 175.A OD1 no hydrogen 2.948 N/A THR 178.A OG1 GLU 180.A OE1 no hydrogen 3.105 N/A LYS 179.A N ASN 175.A O no hydrogen 2.711 N/A LYS 179.A NZ LYS 176.A O no hydrogen 2.645 N/A LYS 179.A NZ LYS 177.A O no hydrogen 3.401 N/A GLU 180.A N THR 178.A OG1 no hydrogen 3.277 N/A LEU 181.A N SER 54.A O no hydrogen 3.287 N/A ILE 182.A N LEU 173.A O no hydrogen 2.746 N/A PHE 184.A N LEU 215.A O no hydrogen 2.957 N/A VAL 185.A N TYR 171.A O no hydrogen 2.957 N/A THR 186.A N GLN 213.A O no hydrogen 2.700 N/A THR 186.A OG1 GLN 213.A O no hydrogen 3.536 N/A THR 186.A OG1 GLN 213.A OE1 no hydrogen 2.765 N/A THR 187.A N GLN 169.A O no hydrogen 2.730 N/A THR 187.A OG1 GLN 169.A O no hydrogen 2.767 N/A TYR 188.A N LYS 210.A O no hydrogen 2.956 N/A TYR 188.A OH ASP 165.A OD1 no hydrogen 3.164 N/A TYR 188.A OH ASP 165.A OD2 no hydrogen 2.483 N/A TYR 190.A N ARG 208.A O no hydrogen 2.862 N/A HIS 192.A N LYS 206.A O no hydrogen 2.822 N/A HIS 192.A ND1 THR 244.A OG1 no hydrogen 2.559 N/A LYS 197.A NZ GLU 201.A OE2 no hydrogen 2.739 N/A SER 198.A OG LEU 194.A O no hydrogen 3.322 N/A PHE 199.A N GLY 195.A O no hydrogen 3.007 N/A ASP 200.A N ALA 196.A O no hydrogen 2.986 N/A GLU 201.A N LYS 197.A O no hydrogen 3.100 N/A GLU 201.A N SER 198.A O no hydrogen 3.024 N/A ASP 202.A N SER 198.A O no hydrogen 3.037 N/A ASP 204.A N ASP 204.A OD2 no hydrogen 2.262 N/A LYS 206.A NZ ASP 202.A OD2 no hydrogen 3.469 N/A PHE 207.A N SER 242.A O no hydrogen 2.713 N/A ARG 208.A N TYR 190.A O no hydrogen 2.828 N/A ARG 208.A NE GLU 245.A OE2 no hydrogen 3.441 N/A ARG 208.A NH2 GLU 245.A OE1 no hydrogen 3.533 N/A ALA 209.A N GLU 245.A O no hydrogen 3.037 N/A LYS 210.A N TYR 188.A O no hydrogen 2.763 N/A LYS 210.A NZ TYR 190.A OH no hydrogen 3.080 N/A LYS 210.A NZ GLU 249.A OE1 no hydrogen 3.126 N/A ILE 211.A N THR 247.A O no hydrogen 2.889 N/A SER 212.A N THR 186.A O no hydrogen 2.918 N/A SER 212.A OG GLU 249.A OE1 no hydrogen 2.731 N/A GLN 213.A N THR 186.A OG1 no hydrogen 2.898 N/A GLN 213.A NE2 ASN 159.A O no hydrogen 2.893 N/A LEU 215.A N PHE 184.A O no hydrogen 3.015 N/A PHE 217.A N ILE 182.A O no hydrogen 3.057 N/A TYR 220.A N PHE 217.A O no hydrogen 2.820 N/A GLN 221.A N PRO 218.A O no hydrogen 3.130 N/A GLN 221.A NE2 ILE 216.A O no hydrogen 2.484 N/A HIS 225.A ND1 TYR 121.A OH no hydrogen 2.725 N/A CYS 228.A N GLY 224.A O no hydrogen 3.155 N/A CYS 228.A SG GLY 224.A O no hydrogen 3.205 N/A LEU 229.A N HIS 225.A O no hydrogen 2.579 N/A TYR 230.A N GLY 226.A O no hydrogen 2.585 N/A TYR 230.A OH ASP 263.A OD1 no hydrogen 2.776 N/A GLU 231.A N SER 227.A O no hydrogen 2.906 N/A ALA 232.A N CYS 228.A O no hydrogen 2.872 N/A ILE 233.A N LEU 229.A O no hydrogen 3.206 N/A ILE 234.A N TYR 230.A O no hydrogen 3.147 N/A GLN 235.A N GLU 231.A O no hydrogen 3.029 N/A GLN 235.A NE2 GLU 239.A OE2 no hydrogen 3.166 N/A SER 236.A N ALA 232.A O no hydrogen 2.957 N/A SER 236.A OG TYR 171.A OH no hydrogen 3.401 N/A SER 236.A OG ILE 233.A O no hydrogen 3.000 N/A TRP 237.A N ILE 233.A O no hydrogen 2.877 N/A LEU 238.A N ILE 234.A O no hydrogen 2.722 N/A GLU 239.A N GLN 235.A O no hydrogen 3.060 N/A ASP 240.A N TRP 237.A O no hydrogen 3.080 N/A SER 242.A N ASP 240.A OD1 no hydrogen 2.993 N/A SER 242.A OG ASP 240.A OD1 no hydrogen 2.513 N/A ILE 243.A N ASP 240.A O no hydrogen 3.137 N/A THR 244.A N PHE 207.A O no hydrogen 2.752 N/A THR 244.A OG1 HIS 192.A ND1 no hydrogen 2.559 N/A THR 244.A OG1 PHE 207.A O no hydrogen 3.140 N/A ILE 246.A N LYS 295.A O no hydrogen 2.794 N/A THR 247.A N ALA 209.A O no hydrogen 2.805 N/A THR 247.A OG1 ALA 209.A O no hydrogen 2.893 N/A GLU 249.A N ILE 211.A O no hydrogen 2.945 N/A PHE 255.A N ASN 252.A OD1 no hydrogen 2.733 N/A ASP 256.A N ASN 252.A O no hydrogen 2.781 N/A ASP 257.A N GLU 253.A O no hydrogen 2.910 N/A LEU 258.A N ALA 254.A O no hydrogen 2.979 N/A ARG 259.A N PHE 255.A O no hydrogen 2.707 N/A ASP 260.A N ASP 256.A O no hydrogen 2.936 N/A ARG 261.A N ASP 257.A O no hydrogen 2.857 N/A ASN 262.A N LEU 258.A O no hydrogen 3.158 N/A ASN 262.A ND2 SER 227.A OG no hydrogen 3.335 N/A ASN 262.A ND2 LEU 258.A O no hydrogen 2.656 N/A ASP 263.A N ARG 259.A O no hydrogen 2.868 N/A ILE 264.A N ASP 260.A O no hydrogen 2.879 N/A GLN 265.A N ARG 261.A O no hydrogen 2.946 N/A ARG 266.A N ASN 262.A O no hydrogen 3.135 N/A ARG 266.A N ASP 263.A O no hydrogen 3.086 N/A ARG 266.A NH2 LEU 294.A O no hydrogen 2.419 N/A LEU 267.A N ASP 263.A O no hydrogen 3.130 N/A ARG 268.A N ILE 264.A O no hydrogen 3.169 N/A ARG 268.A NE GLN 265.A OE1 no hydrogen 2.876 N/A LYS 269.A N GLN 265.A O no hydrogen 3.135 N/A LEU 270.A N ARG 266.A O no hydrogen 2.983 N/A LEU 270.A N LEU 267.A O no hydrogen 3.264 N/A GLY 271.A N ARG 268.A O no hydrogen 2.973 N/A TYR 272.A N LEU 267.A O no hydrogen 2.819 N/A ALA 274.A N ASP 273.A OD1 no hydrogen 2.447 N/A VAL 275.A N GLY 271.A O no hydrogen 3.051 N/A PHE 276.A N TYR 272.A O no hydrogen 2.911 N/A GLN 277.A N ASP 273.A O no hydrogen 3.080 N/A LEU 282.A N SER 280.A O no hydrogen 2.763 N/A PHE 286.A N SER 283.A O no hydrogen 3.050 N/A GLU 288.A N ASP 284.A O no hydrogen 3.126 N/A SER 289.A N GLU 285.A O no hydrogen 3.234 N/A SER 289.A OG GLU 285.A O no hydrogen 2.556 N/A SER 290.A N PHE 286.A O no hydrogen 2.840 N/A SER 290.A OG PHE 286.A O no hydrogen 2.483 N/A ARG 291.A N LEU 287.A O no hydrogen 3.050 N/A ARG 291.A NH1 GLU 245.A OE1 no hydrogen 3.450 N/A ARG 291.A NH1 LEU 296.A O no hydrogen 2.793 N/A LYS 292.A N GLU 288.A O no hydrogen 2.800 N/A SER 293.A N SER 289.A O no hydrogen 2.873 N/A LEU 294.A N SER 290.A O no hydrogen 2.928 N/A LYS 295.A N LYS 292.A O no hydrogen 3.061 N/A LYS 295.A NZ TRP 237.A O no hydrogen 2.692 N/A LYS 295.A NZ ILE 243.A O no hydrogen 2.688 N/A LEU 296.A N ARG 291.A O no hydrogen 3.399 N/A ARG 299.A N GLU 297.A OE2 no hydrogen 2.904 N/A GLN 300.A N GLU 297.A OE1 no hydrogen 2.984 N/A GLN 300.A NE2 ASP 260.A OD1 no hydrogen 3.468 N/A GLN 300.A NE2 ASP 263.A OD2 no hydrogen 2.660 N/A PHE 301.A N GLU 297.A O no hydrogen 2.810 N/A ASN 302.A N GLU 298.A O no hydrogen 3.061 N/A ARG 303.A N ARG 299.A O no hydrogen 3.032 N/A ARG 303.A NH1 ASP 260.A OD1 no hydrogen 2.869 N/A ARG 303.A NH2 ASP 260.A OD1 no hydrogen 3.309 N/A ARG 303.A NH2 ASP 260.A OD2 no hydrogen 2.405 N/A LEU 304.A N GLN 300.A O no hydrogen 3.056 N/A VAL 305.A N PHE 301.A O no hydrogen 3.023 N/A GLU 306.A N ASN 302.A O no hydrogen 2.978 N/A MET 307.A N ARG 303.A O no hydrogen 2.897 N/A LEU 308.A N LEU 304.A O no hydrogen 2.884 N/A LEU 309.A N VAL 305.A O no hydrogen 2.769 N/A LEU 310.A N GLU 306.A O no hydrogen 3.108 N/A LEU 311.A N MET 307.A O no hydrogen 3.230 N/A ASN 312.A N LEU 308.A O no hydrogen 3.485 N/A