Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pgg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 5.A N ALA 1.A O no hydrogen 3.245 N/A ASP 5.A N THR 2.A O no hydrogen 2.784 N/A VAL 6.A N THR 2.A O no hydrogen 2.990 N/A ALA 7.A N ALA 3.A O no hydrogen 3.322 N/A ALA 8.A N GLU 4.A O no hydrogen 3.069 N/A VAL 9.A N ASP 5.A O no hydrogen 2.964 N/A ALA 10.A N VAL 6.A O no hydrogen 3.001 N/A ASP 11.A N ALA 7.A O no hydrogen 2.833 N/A GLU 12.A N ALA 8.A O no hydrogen 3.100 N/A GLU 13.A N VAL 9.A O no hydrogen 2.975 N/A ALA 14.A N ALA 10.A O no hydrogen 2.988 N/A CYS 15.A N ASP 11.A O no hydrogen 3.094 N/A MET 16.A N GLU 12.A O no hydrogen 2.979 N/A TYR 17.A N GLU 13.A O no hydrogen 2.912 N/A ALA 18.A N ALA 14.A O no hydrogen 2.933 N/A MET 19.A N CYS 15.A O no hydrogen 3.073 N/A GLN 20.A N MET 16.A O no hydrogen 3.037 N/A GLN 20.A NE2 TYR 83.A OH no hydrogen 3.190 N/A LEU 21.A N TYR 17.A O no hydrogen 2.865 N/A ALA 22.A N ALA 18.A O no hydrogen 2.947 N/A SER 23.A N GLN 20.A O no hydrogen 3.181 N/A SER 23.A OG MET 19.A O no hydrogen 3.333 N/A SER 24.A N LEU 21.A O no hydrogen 3.035 N/A SER 24.A OG LEU 21.A O no hydrogen 2.656 N/A ILE 26.A N SER 23.A O no hydrogen 3.170 N/A MET 29.A N SER 25.A O no hydrogen 3.226 N/A THR 30.A N ILE 26.A O no hydrogen 2.855 N/A THR 30.A OG1 ILE 26.A O no hydrogen 2.726 N/A LEU 31.A N LEU 27.A O no hydrogen 2.904 N/A LYS 32.A N PRO 28.A O no hydrogen 2.895 N/A LYS 32.A NZ GLU 36.A OE2 no hydrogen 2.730 N/A ASN 33.A N MET 29.A O no hydrogen 3.207 N/A ASN 33.A ND2 MET 29.A O no hydrogen 2.760 N/A ALA 34.A N THR 30.A O no hydrogen 2.834 N/A LEU 35.A N LEU 31.A O no hydrogen 2.932 N/A GLU 36.A N LYS 32.A O no hydrogen 3.111 N/A LEU 37.A N ASN 33.A O no hydrogen 2.957 N/A GLY 38.A N LEU 35.A O no hydrogen 3.149 N/A LEU 39.A N ALA 34.A O no hydrogen 3.027 N/A VAL 42.A N GLY 38.A O no hydrogen 3.290 N/A LEU 43.A N LEU 39.A O no hydrogen 3.278 N/A GLN 44.A N LEU 40.A O no hydrogen 2.877 N/A LYS 45.A N GLU 41.A O no hydrogen 2.993 N/A ALA 47.A N GLN 44.A O no hydrogen 3.121 N/A LYS 49.A N ASP 46.A O no hydrogen 2.894 N/A LEU 51.A N TYR 101.A O no hydrogen 2.710 N/A ALA 52.A N GLU 55.A OE1 no hydrogen 2.790 N/A GLU 54.A N GLU 54.A OE2 no hydrogen 2.909 N/A VAL 56.A N ALA 52.A O no hydrogen 3.053 N/A VAL 57.A N ALA 53.A O no hydrogen 2.970 N/A ALA 58.A N GLU 54.A O no hydrogen 3.041 N/A ARG 59.A N GLU 55.A O no hydrogen 3.258 N/A ARG 59.A N VAL 56.A O no hydrogen 3.031 N/A ARG 59.A NH1 ASP 46.A OD2 no hydrogen 2.649 N/A ARG 59.A NH2 ASP 46.A OD2 no hydrogen 3.541 N/A LEU 60.A N VAL 57.A O no hydrogen 3.253 N/A ALA 68.A N ASN 66.A OD1 no hydrogen 2.956 N/A ALA 69.A N ASN 66.A O no hydrogen 3.111 N/A MET 72.A N ALA 68.A O no hydrogen 3.190 N/A VAL 73.A N ALA 69.A O no hydrogen 2.914 N/A ASP 74.A N ALA 70.A O no hydrogen 2.777 N/A ARG 75.A N ASP 71.A O no hydrogen 3.077 N/A MET 76.A N MET 72.A O no hydrogen 2.953 N/A LEU 77.A N VAL 73.A O no hydrogen 2.879 N/A ARG 78.A N ASP 74.A O no hydrogen 2.933 N/A LEU 79.A N ARG 75.A O no hydrogen 3.217 N/A LEU 80.A N MET 76.A O no hydrogen 2.992 N/A ALA 81.A N LEU 77.A O no hydrogen 2.804 N/A SER 82.A N ARG 78.A O no hydrogen 3.325 N/A SER 82.A N LEU 79.A O no hydrogen 3.118 N/A SER 82.A OG LEU 79.A O no hydrogen 2.843 N/A TYR 83.A N LEU 80.A O no hydrogen 3.031 N/A ASP 84.A N ALA 81.A O no hydrogen 2.960 N/A VAL 85.A N LEU 80.A O no hydrogen 2.990 N/A LYS 87.A N SER 102.A O no hydrogen 2.765 N/A GLN 89.A N ARG 100.A O no hydrogen 2.982 N/A GLU 91.A N GLU 98.A O no hydrogen 3.109 N/A LYS 93.A N LYS 96.A O no hydrogen 2.844 N/A LYS 96.A N LYS 93.A O no hydrogen 3.196 N/A GLU 98.A N GLU 91.A O no hydrogen 2.771 N/A ARG 99.A NE ASP 74.A OD1 no hydrogen 3.067 N/A ARG 99.A NE ASP 74.A OD2 no hydrogen 3.391 N/A ARG 99.A NH2 ASP 74.A OD2 no hydrogen 2.654 N/A ARG 100.A N GLN 89.A O no hydrogen 2.930 N/A ARG 100.A NE ALA 50.A O no hydrogen 3.065 N/A ARG 100.A NH1 GLU 98.A OE2 no hydrogen 3.105 N/A ARG 100.A NH2 ALA 50.A O no hydrogen 2.783 N/A TYR 101.A N LEU 51.A O no hydrogen 2.688 N/A TYR 101.A OH ASP 74.A OD1 no hydrogen 2.627 N/A SER 102.A N LYS 87.A O no hydrogen 2.929 N/A GLY 107.A N ALA 104.A O no hydrogen 2.863 N/A TRP 109.A N VAL 106.A O no hydrogen 2.992 N/A LEU 110.A N GLY 107.A O no hydrogen 3.102 N/A THR 111.A OG1 GLY 107.A O no hydrogen 2.799 N/A ASN 113.A N VAL 117.A O no hydrogen 3.073 N/A GLY 116.A N ASN 113.A O no hydrogen 2.915 N/A VAL 117.A N ASN 113.A OD1 no hydrogen 2.863 N/A MET 119.A N TRP 109.A O no hydrogen 2.813 N/A ALA 120.A N SER 118.A OG no hydrogen 3.065 N/A ALA 123.A N MET 119.A O no hydrogen 3.053 N/A LEU 124.A N ALA 120.A O no hydrogen 2.964 N/A MET 125.A N ALA 121.A O no hydrogen 3.054 N/A ASN 126.A N LEU 122.A O no hydrogen 3.022 N/A GLN 127.A N ALA 123.A O no hydrogen 3.257 N/A GLN 127.A NE2 ALA 123.A O no hydrogen 2.738 N/A ASP 128.A N MET 125.A O no hydrogen 3.143 N/A VAL 130.A N ASP 128.A OD2 no hydrogen 2.940 N/A MET 132.A N ASP 128.A O no hydrogen 2.958 N/A GLU 133.A N LYS 129.A O no hydrogen 3.276 N/A SER 134.A N LEU 131.A O no hydrogen 3.334 N/A SER 134.A OG HIS 320.A ND1 no hydrogen 3.080 N/A TRP 135.A N MET 132.A O no hydrogen 3.189 N/A TYR 136.A N GLU 133.A O no hydrogen 3.064 N/A TYR 137.A N SER 134.A O no hydrogen 3.047 N/A LYS 139.A NZ ASP 140.A OD1 no hydrogen 3.240 N/A ALA 141.A N TYR 137.A O no hydrogen 2.909 N/A VAL 142.A N LEU 138.A O no hydrogen 2.883 N/A LEU 143.A N LYS 139.A O no hydrogen 3.084 N/A ASP 144.A N ASP 140.A O no hydrogen 2.725 N/A GLY 145.A N ALA 141.A O no hydrogen 2.775 N/A PHE 149.A N ALA 319.A O no hydrogen 3.014 N/A LYS 151.A N ILE 147.A O no hydrogen 2.824 N/A ALA 152.A N PRO 148.A O no hydrogen 3.090 N/A TYR 153.A N PHE 149.A O no hydrogen 2.952 N/A TYR 153.A OH VAL 130.A O no hydrogen 2.677 N/A GLY 154.A N ASN 150.A O no hydrogen 2.477 N/A THR 156.A N GLU 159.A OE1 no hydrogen 3.204 N/A GLU 159.A N THR 156.A OG1 no hydrogen 3.170 N/A TYR 160.A N THR 156.A O no hydrogen 2.830 N/A TYR 160.A OH ASP 164.A OD2 no hydrogen 2.561 N/A HIS 161.A N ALA 157.A O no hydrogen 3.265 N/A GLY 162.A N GLU 159.A O no hydrogen 3.129 N/A THR 163.A N TYR 160.A O no hydrogen 2.906 N/A THR 163.A OG1 TYR 160.A O no hydrogen 2.862 N/A ARG 166.A NH1 ASP 128.A OD1 no hydrogen 2.775 N/A ARG 166.A NH2 ASP 128.A OD1 no hydrogen 3.334 N/A ARG 166.A NH2 ASP 128.A OD2 no hydrogen 2.854 N/A PHE 167.A N ASP 164.A OD1 no hydrogen 3.022 N/A ASN 168.A N ASP 164.A O no hydrogen 2.897 N/A ARG 169.A N PRO 165.A O no hydrogen 3.222 N/A VAL 170.A N ARG 166.A O no hydrogen 3.141 N/A PHE 171.A N PHE 167.A O no hydrogen 2.636 N/A ASN 172.A N ASN 168.A O no hydrogen 2.896 N/A GLU 173.A N ARG 169.A O no hydrogen 3.054 N/A GLY 174.A N VAL 170.A O no hydrogen 3.091 N/A MET 175.A N PHE 171.A O no hydrogen 3.056 N/A LYS 176.A N ASN 172.A O no hydrogen 2.901 N/A ASN 177.A N GLU 173.A O no hydrogen 3.037 N/A ASN 177.A ND2 SER 118.A O no hydrogen 3.330 N/A HIS 178.A N GLY 174.A O no hydrogen 3.271 N/A SER 179.A N MET 175.A O no hydrogen 3.019 N/A VAL 180.A N LYS 176.A O no hydrogen 2.858 N/A ILE 181.A N ASN 177.A O no hydrogen 3.188 N/A ILE 182.A N HIS 178.A O no hydrogen 3.129 N/A THR 183.A N SER 179.A O no hydrogen 2.894 N/A THR 183.A OG1 SER 179.A O no hydrogen 2.859 N/A LYS 184.A N VAL 180.A O no hydrogen 3.163 N/A LYS 184.A NZ ASP 115.A OD1 no hydrogen 3.023 N/A LYS 185.A N ILE 181.A O no hydrogen 3.208 N/A LEU 186.A N ILE 182.A O no hydrogen 2.795 N/A LEU 187.A N THR 183.A O no hydrogen 2.890 N/A GLU 188.A N LYS 184.A O no hydrogen 3.008 N/A PHE 189.A N LYS 185.A O no hydrogen 2.868 N/A TYR 190.A N LEU 186.A O no hydrogen 2.898 N/A TYR 190.A OH GLU 357.A OE1 no hydrogen 2.256 N/A SER 196.A N ASP 194.A OD1 no hydrogen 2.686 N/A SER 196.A OG ASP 194.A OD1 no hydrogen 2.355 N/A VAL 197.A N ASP 194.A O no hydrogen 3.235 N/A SER 198.A N ASP 256.A OD2 no hydrogen 2.659 N/A SER 198.A OG ASP 256.A OD2 no hydrogen 2.064 N/A THR 199.A N ASP 256.A OD2 no hydrogen 2.828 N/A LEU 200.A N ARG 222.A O no hydrogen 2.969 N/A VAL 201.A N ALA 257.A O no hydrogen 2.864 N/A ASP 202.A N VAL 224.A O no hydrogen 2.845 N/A VAL 203.A N LEU 259.A O no hydrogen 3.054 N/A GLY 204.A N PHE 226.A O no hydrogen 2.757 N/A GLY 205.A N PHE 226.A O no hydrogen 3.207 N/A GLY 206.A N ASP 227.A OD2 no hydrogen 2.919 N/A GLY 208.A N GLY 205.A O no hydrogen 2.985 N/A HIS 212.A N GLY 208.A O no hydrogen 2.942 N/A ALA 213.A N ALA 209.A O no hydrogen 3.093 N/A ILE 214.A N THR 210.A O no hydrogen 3.008 N/A THR 215.A N LEU 211.A O no hydrogen 2.768 N/A THR 215.A OG1 LEU 211.A O no hydrogen 3.003 N/A THR 215.A OG1 HIS 212.A O no hydrogen 3.342 N/A SER 216.A N HIS 212.A O no hydrogen 2.918 N/A SER 216.A OG HIS 212.A O no hydrogen 2.815 N/A HIS 217.A N ALA 213.A O no hydrogen 3.252 N/A HIS 217.A N ILE 214.A O no hydrogen 3.044 N/A HIS 218.A N ILE 214.A O no hydrogen 2.836 N/A ILE 221.A N HIS 218.A O no hydrogen 2.929 N/A ARG 222.A N SER 198.A O no hydrogen 2.835 N/A ARG 222.A NH1 HIS 220.A O no hydrogen 2.905 N/A GLY 223.A N GLY 240.A O no hydrogen 2.822 N/A VAL 224.A N LEU 200.A O no hydrogen 2.857 N/A ASN 225.A N GLN 242.A O no hydrogen 2.856 N/A ASN 225.A ND2 GLY 206.A O no hydrogen 3.005 N/A ASN 225.A ND2 HIS 243.A ND1 no hydrogen 2.976 N/A PHE 226.A N ASP 202.A O no hydrogen 2.918 N/A ASP 227.A N VAL 244.A O no hydrogen 3.302 N/A LEU 228.A N ASP 227.A OD1 no hydrogen 2.653 N/A VAL 231.A N LEU 228.A O no hydrogen 2.824 N/A ILE 232.A N LEU 228.A O no hydrogen 3.013 N/A SER 233.A N PRO 229.A O no hydrogen 3.021 N/A SER 233.A OG HIS 230.A O no hydrogen 3.136 N/A SER 233.A OG GLU 234.A OE2 no hydrogen 3.251 N/A ALA 235.A N ILE 232.A O no hydrogen 2.901 N/A VAL 241.A N PHE 238.A O no hydrogen 3.089 N/A GLN 242.A N GLY 223.A O no hydrogen 2.853 N/A HIS 243.A NE2 PRO 236.A O no hydrogen 2.777 N/A VAL 244.A N ASN 225.A O no hydrogen 2.764 N/A GLY 246.A N ASP 227.A O no hydrogen 2.909 N/A PHE 249.A N ASP 247.A OD1 no hydrogen 3.047 N/A LYS 250.A N ASP 247.A O no hydrogen 2.853 N/A SER 251.A N ASP 247.A O no hydrogen 3.094 N/A ASP 256.A N THR 199.A O no hydrogen 2.952 N/A ALA 257.A N THR 199.A O no hydrogen 3.192 N/A ILE 258.A N LYS 289.A O no hydrogen 2.977 N/A LEU 259.A N VAL 201.A O no hydrogen 2.754 N/A MET 260.A N ILE 291.A O no hydrogen 2.749 N/A LYS 261.A NZ THR 210.A OG1 no hydrogen 2.916 N/A TRP 262.A N VAL 293.A O no hydrogen 2.852 N/A HIS 265.A N GLU 294.A OE2 no hydrogen 2.974 N/A HIS 265.A ND1 GLU 326.A OE2 no hydrogen 2.743 N/A ASP 266.A N ILE 263.A O no hydrogen 3.057 N/A TRP 267.A N LEU 264.A O no hydrogen 3.090 N/A HIS 271.A N SER 268.A OG no hydrogen 3.291 N/A CYS 272.A N SER 268.A O no hydrogen 2.904 N/A CYS 272.A SG LEU 264.A O no hydrogen 3.351 N/A CYS 272.A SG TRP 267.A O no hydrogen 3.708 N/A CYS 272.A SG SER 268.A O no hydrogen 3.400 N/A ALA 273.A N ASP 269.A O no hydrogen 3.017 N/A THR 274.A N ALA 270.A O no hydrogen 3.398 N/A THR 274.A OG1 ALA 270.A O no hydrogen 3.381 N/A LEU 275.A N HIS 271.A O no hydrogen 3.079 N/A LEU 276.A N CYS 272.A O no hydrogen 2.839 N/A LYS 277.A N ALA 273.A O no hydrogen 3.001 N/A LYS 277.A NZ ASP 281.A OD1 no hydrogen 3.274 N/A ASN 278.A N THR 274.A O no hydrogen 3.063 N/A ASN 278.A ND2 MET 248.A O no hydrogen 2.831 N/A CYS 279.A N LEU 275.A O no hydrogen 2.828 N/A CYS 279.A SG LEU 275.A O no hydrogen 3.397 N/A TYR 280.A N LEU 276.A O no hydrogen 2.854 N/A ASP 281.A N LYS 277.A O no hydrogen 2.977 N/A ALA 282.A N ASN 278.A O no hydrogen 3.110 N/A ALA 282.A N CYS 279.A O no hydrogen 3.136 N/A LEU 283.A N CYS 279.A O no hydrogen 3.282 N/A LEU 283.A N TYR 280.A O no hydrogen 3.298 N/A GLY 287.A N PRO 284.A O no hydrogen 3.211 N/A LYS 289.A N ASP 256.A O no hydrogen 3.407 N/A LYS 289.A NZ TYR 190.A OH no hydrogen 3.352 N/A LYS 289.A NZ GLY 192.A O no hydrogen 2.734 N/A LYS 289.A NZ GLU 357.A OE1 no hydrogen 3.440 N/A VAL 290.A N PHE 358.A O no hydrogen 2.951 N/A ILE 291.A N ILE 258.A O no hydrogen 2.674 N/A VAL 292.A N ILE 356.A O no hydrogen 2.716 N/A VAL 293.A N MET 260.A O no hydrogen 2.875 N/A GLU 294.A N TRP 354.A O no hydrogen 3.282 N/A CYS 295.A SG ASN 352.A O no hydrogen 3.724 N/A LEU 297.A N ARG 327.A O no hydrogen 2.877 N/A ALA 307.A N VAL 304.A O no hydrogen 3.041 N/A GLN 308.A N VAL 304.A O no hydrogen 3.097 N/A GLY 309.A N PRO 305.A O no hydrogen 3.152 N/A VAL 310.A N ALA 307.A O no hydrogen 3.181 N/A PHE 311.A N ALA 307.A O no hydrogen 3.305 N/A HIS 312.A N GLN 308.A O no hydrogen 2.805 N/A VAL 313.A N GLY 309.A O no hydrogen 3.409 N/A ASP 314.A N VAL 310.A O no hydrogen 3.059 N/A MET 315.A N PHE 311.A O no hydrogen 2.904 N/A ILE 316.A N HIS 312.A O no hydrogen 2.909 N/A MET 317.A N VAL 313.A O no hydrogen 3.039 N/A LEU 318.A N ASP 314.A O no hydrogen 3.144 N/A ALA 319.A N MET 315.A O no hydrogen 3.100 N/A HIS 320.A N ILE 316.A O no hydrogen 3.284 N/A HIS 320.A N MET 317.A O no hydrogen 3.331 N/A HIS 320.A ND1 SER 134.A OG no hydrogen 3.080 N/A ASN 321.A N MET 317.A O no hydrogen 2.651 N/A ASN 321.A ND2 ASP 266.A O no hydrogen 3.468 N/A GLY 324.A N ASN 321.A O no hydrogen 2.683 N/A ARG 325.A N HIS 265.A O no hydrogen 2.808 N/A ARG 325.A NH1.B ASP 269.A OD2 no hydrogen 3.569 N/A ARG 325.A NH1.B GLU 331.A OE1 no hydrogen 2.771 N/A ARG 325.A NH2.B ASP 269.A OD1 no hydrogen 3.045 N/A GLU 326.A N ASP 314.A OD1 no hydrogen 2.909 N/A ARG 327.A NE ASP 269.A OD1 no hydrogen 3.111 N/A ARG 327.A NH1 LEU 264.A O no hydrogen 2.978 N/A ARG 327.A NH2 TRP 267.A O no hydrogen 2.802 N/A ARG 327.A NH2 ASP 269.A OD1 no hydrogen 2.877 N/A TYR 328.A N GLU 331.A OE2 no hydrogen 2.846 N/A PHE 332.A N TYR 328.A O no hydrogen 3.249 N/A ARG 333.A N GLU 329.A O no hydrogen 2.949 N/A ARG 333.A NE GLU 329.A OE1 no hydrogen 3.416 N/A ARG 333.A NH2 GLU 329.A OE1 no hydrogen 2.887 N/A ASP 334.A N ARG 330.A O no hydrogen 2.989 N/A LEU 335.A N GLU 331.A O no hydrogen 3.021 N/A ALA 336.A N PHE 332.A O no hydrogen 3.002 N/A LYS 337.A N ARG 333.A O no hydrogen 2.925 N/A LYS 337.A NZ SER 342.A O no hydrogen 3.268 N/A ALA 338.A N ASP 334.A O no hydrogen 2.940 N/A ALA 339.A N LEU 335.A O no hydrogen 3.153 N/A ALA 339.A N ALA 336.A O no hydrogen 3.070 N/A GLY 340.A N LYS 337.A O no hydrogen 3.021 N/A PHE 341.A N ALA 336.A O no hydrogen 3.051 N/A SER 342.A N ILE 359.A O no hydrogen 3.038 N/A SER 342.A OG LYS 360.A OXT no hydrogen 3.345 N/A GLY 343.A N ILE 359.A O no hydrogen 2.993 N/A LYS 345.A N GLU 357.A O no hydrogen 3.052 N/A LYS 345.A NZ GLU 357.A OE2 no hydrogen 2.636 N/A THR 347.A N ALA 355.A O no hydrogen 2.896 N/A ILE 349.A N ALA 353.A O no hydrogen 2.814 N/A TYR 350.A N ALA 353.A O no hydrogen 3.286 N/A ASN 352.A N TYR 348.A OH no hydrogen 2.847 N/A ALA 353.A N TYR 350.A O no hydrogen 2.833 N/A TRP 354.A N GLU 294.A O no hydrogen 2.817 N/A ALA 355.A N THR 347.A O no hydrogen 2.706 N/A ILE 356.A N VAL 292.A O no hydrogen 2.664 N/A GLU 357.A N LYS 345.A O no hydrogen 2.760 N/A PHE 358.A N VAL 290.A O no hydrogen 2.934 N/A ILE 359.A N GLY 343.A O no hydrogen 2.840 N/A LYS 360.A N GLY 288.A O no hydrogen 2.941 N/A LYS 360.A NZ TYR 280.A O no hydrogen 2.841 N/A LYS 360.A NZ LEU 283.A O no hydrogen 2.957 N/A LYS 360.A NZ PRO 284.A O no hydrogen 3.444 N/A