Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pqv_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG TYR 3.A OH no hydrogen 3.213 N/A VAL 4.A N ALA 25.A O no hydrogen 3.060 N/A PHE 6.A N LYS 27.A O no hydrogen 2.745 N/A GLY 8.A N GLU 29.A O no hydrogen 3.104 N/A ARG 10.A NH2 GLU 314.A OE1 no hydrogen 3.555 N/A ASN 11.A ND2 ASP 322.A OD2 no hydrogen 2.939 N/A PHE 12.A N SER 9.A O no hydrogen 3.007 N/A ARG 13.A NH1 TYR 93.A O no hydrogen 2.737 N/A ARG 15.A N ASN 11.A O no hydrogen 2.720 N/A ARG 15.A NE ASP 322.A OD2 no hydrogen 2.892 N/A ARG 15.A NH1 GLU 7.A O no hydrogen 3.218 N/A ARG 15.A NH2 ASP 322.A OD1 no hydrogen 3.307 N/A ARG 15.A NH2 ASP 322.A OD2 no hydrogen 3.483 N/A VAL 16.A N PHE 12.A O no hydrogen 3.099 N/A VAL 17.A N ARG 13.A O no hydrogen 2.829 N/A MET 18.A N LEU 14.A O no hydrogen 2.905 N/A ALA 19.A N ARG 15.A O no hydrogen 2.966 N/A THR 20.A N VAL 16.A O no hydrogen 3.182 N/A THR 20.A OG1 VAL 16.A O no hydrogen 2.959 N/A LEU 21.A N VAL 17.A O no hydrogen 2.948 N/A SER 22.A N MET 18.A O no hydrogen 2.945 N/A SER 22.A OG MET 18.A O no hydrogen 2.895 N/A GLY 23.A N ALA 19.A O no hydrogen 2.930 N/A LYS 24.A N SER 22.A OG no hydrogen 3.342 N/A ILE 26.A N PHE 71.A O no hydrogen 3.008 N/A LYS 27.A N VAL 4.A O no hydrogen 2.824 N/A ILE 28.A N VAL 69.A O no hydrogen 2.749 N/A GLU 29.A N PHE 6.A O no hydrogen 3.099 N/A ILE 31.A N THR 67.A O no hydrogen 2.875 N/A ARG 32.A NE GLY 39.A O no hydrogen 3.431 N/A ARG 32.A NH2 GLU 44.A OE2 no hydrogen 2.646 N/A ASP 35.A N ARG 32.A O no hydrogen 3.066 N/A GLY 39.A N ILE 31.A O no hydrogen 3.024 N/A LEU 40.A N GLY 66.A O no hydrogen 2.913 N/A LYS 41.A N GLU 44.A OE1 no hydrogen 2.916 N/A GLU 44.A N LYS 41.A O no hydrogen 2.919 N/A VAL 45.A N LYS 41.A O no hydrogen 3.142 N/A SER 46.A N ASP 42.A O no hydrogen 3.018 N/A SER 46.A OG HIS 83.A NE2 no hydrogen 2.911 N/A PHE 47.A N TYR 43.A O no hydrogen 2.881 N/A LEU 48.A N GLU 44.A O no hydrogen 2.949 N/A ARG 49.A N VAL 45.A O no hydrogen 2.978 N/A LEU 50.A N SER 46.A O no hydrogen 3.009 N/A MET 51.A N PHE 47.A O no hydrogen 3.025 N/A GLU 52.A N LEU 48.A O no hydrogen 3.151 N/A ALA 53.A N ARG 49.A O no hydrogen 3.209 N/A VAL 54.A N LEU 50.A O no hydrogen 3.163 N/A THR 55.A OG1 MET 51.A O no hydrogen 3.033 N/A THR 55.A OG1 SER 58.A OG no hydrogen 3.136 N/A ASN 56.A N ILE 75.A O no hydrogen 3.054 N/A SER 58.A OG THR 55.A OG1 no hydrogen 3.136 N/A SER 59.A N ARG 72.A O no hydrogen 3.052 N/A GLU 61.A N ILE 70.A O no hydrogen 3.041 N/A SER 63.A N THR 68.A O no hydrogen 3.277 N/A GLY 66.A N SER 63.A O no hydrogen 3.049 N/A THR 68.A N SER 63.A OG no hydrogen 3.383 N/A VAL 69.A N ILE 28.A O no hydrogen 2.655 N/A ILE 70.A N GLU 61.A O no hydrogen 2.873 N/A PHE 71.A N ILE 26.A O no hydrogen 2.934 N/A ARG 72.A N SER 59.A O no hydrogen 3.061 N/A ARG 72.A NE TYR 3.A OH no hydrogen 3.355 N/A ARG 72.A NH1 SER 59.A OG no hydrogen 2.981 N/A ARG 72.A NH1 GLU 61.A OE2 no hydrogen 2.798 N/A ARG 72.A NH2 TYR 3.A OH no hydrogen 2.899 N/A ARG 72.A NH2 GLU 61.A OE2 no hydrogen 3.116 N/A ILE 75.A N ASN 56.A O no hydrogen 2.895 N/A THR 77.A N VAL 54.A O no hydrogen 2.948 N/A THR 77.A OG1 ILE 75.A O no hydrogen 3.154 N/A GLY 78.A N VAL 54.A O no hydrogen 2.810 N/A GLY 79.A N LYS 108.A O no hydrogen 2.941 N/A TYR 81.A N SER 110.A O no hydrogen 3.188 N/A TYR 81.A OH HIS 83.A ND1 no hydrogen 3.288 N/A HIS 83.A N LEU 112.A O no hydrogen 2.785 N/A HIS 83.A ND1 TYR 81.A OH no hydrogen 3.288 N/A HIS 83.A NE2 SER 46.A OG no hydrogen 2.911 N/A CYS 85.A N ARG 114.A O no hydrogen 2.805 N/A CYS 85.A SG ARG 114.A O no hydrogen 3.316 N/A ASN 87.A ND2 PRO 155.A O no hydrogen 3.596 N/A SER 88.A OG ASP 42.A OD1 no hydrogen 2.829 N/A SER 88.A OG ASP 42.A OD2 no hydrogen 3.385 N/A VAL 91.A N ILE 116.A O no hydrogen 2.659 N/A TYR 93.A N PRO 90.A O no hydrogen 3.117 N/A PHE 94.A N VAL 91.A O no hydrogen 2.912 N/A ALA 95.A N VAL 91.A O no hydrogen 2.895 N/A GLU 96.A N GLY 92.A O no hydrogen 3.024 N/A MET 98.A N ALA 95.A O no hydrogen 2.940 N/A LEU 99.A N GLU 96.A O no hydrogen 3.109 N/A TYR 100.A N PRO 97.A O no hydrogen 3.215 N/A LEU 101.A N MET 98.A O no hydrogen 3.141 N/A ALA 102.A N MET 98.A O no hydrogen 3.038 N/A PHE 104.A N LEU 101.A O no hydrogen 2.695 N/A SER 105.A OG ALA 102.A O no hydrogen 3.192 N/A SER 105.A OG LYS 107.A O no hydrogen 2.675 N/A LYS 106.A N ILE 76.A O no hydrogen 3.229 N/A LYS 107.A N THR 77.A O no hydrogen 3.040 N/A SER 110.A N GLY 79.A O no hydrogen 3.104 N/A SER 110.A OG HIS 162.A NE2 no hydrogen 2.718 N/A ILE 111.A N LEU 163.A O no hydrogen 2.781 N/A LEU 112.A N TYR 81.A O no hydrogen 2.917 N/A PHE 113.A N VAL 161.A O no hydrogen 2.786 N/A ARG 114.A N HIS 83.A O no hydrogen 3.034 N/A GLY 115.A N GLY 159.A O no hydrogen 3.115 N/A THR 117.A N GLY 152.A O no hydrogen 2.872 N/A SER 118.A OG TYR 191.A OH no hydrogen 3.417 N/A SER 119.A OG ASP 122.A OD2 no hydrogen 2.871 N/A HIS 120.A NE2 ASP 257.A OD1 no hydrogen 3.283 N/A HIS 120.A NE2 ASP 257.A OD2 no hydrogen 2.989 N/A GLY 124.A N GLU 253.A OE1 no hydrogen 2.962 N/A GLY 124.A N GLU 253.A OE2 no hydrogen 3.322 N/A ILE 128.A N GLY 124.A O no hydrogen 3.103 N/A LYS 129.A N ILE 125.A O no hydrogen 2.816 N/A LYS 129.A NZ THR 148.A OG1 no hydrogen 2.835 N/A TRP 130.A N ASP 126.A O no hydrogen 2.631 N/A MET 133.A N ILE 128.A O no hydrogen 3.100 N/A ILE 135.A N LEU 132.A O no hydrogen 3.006 N/A MET 136.A N LEU 132.A O no hydrogen 3.197 N/A GLU 137.A N MET 133.A O no hydrogen 3.020 N/A LYS 138.A N PRO 134.A O no hydrogen 3.273 N/A LYS 138.A NZ GLN 246.A O no hydrogen 2.748 N/A PHE 139.A N MET 136.A O no hydrogen 3.032 N/A GLY 140.A N GLU 137.A O no hydrogen 3.181 N/A VAL 141.A N MET 136.A O no hydrogen 2.989 N/A GLU 143.A N SER 167.A OG no hydrogen 2.642 N/A CYS 144.A SG MET 133.A O no hydrogen 3.976 N/A CYS 144.A SG VAL 141.A O no hydrogen 3.915 N/A ALA 145.A N VAL 164.A O no hydrogen 3.086 N/A HIS 147.A N HIS 162.A O no hydrogen 2.880 N/A LEU 149.A N GLU 160.A O no hydrogen 3.195 N/A LYS 150.A N GLU 160.A O no hydrogen 2.983 N/A LYS 150.A NZ GLY 158.A O no hydrogen 3.303 N/A LYS 150.A NZ GLU 228.A OE2 no hydrogen 3.033 N/A ARG 151.A NH2 ASP 126.A OD1 no hydrogen 3.398 N/A ARG 151.A NH2 ASP 126.A OD2 no hydrogen 3.336 N/A ARG 151.A NH2 ASP 223.A OD2 no hydrogen 3.306 N/A GLY 152.A N THR 117.A OG1 no hydrogen 2.917 N/A LEU 156.A N SER 233.A OG no hydrogen 3.025 N/A GLY 157.A N SER 153.A O no hydrogen 2.826 N/A GLY 159.A N GLY 115.A O no hydrogen 2.819 N/A GLU 160.A N LYS 150.A O no hydrogen 2.727 N/A VAL 161.A N PHE 113.A O no hydrogen 2.907 N/A HIS 162.A N HIS 147.A O no hydrogen 2.825 N/A HIS 162.A NE2 SER 110.A OG no hydrogen 2.718 N/A LEU 163.A N ILE 111.A O no hydrogen 2.784 N/A VAL 164.A N ALA 145.A O no hydrogen 3.241 N/A VAL 165.A N PHE 109.A O no hydrogen 3.084 N/A SER 167.A N GLU 143.A O no hydrogen 3.205 N/A ILE 169.A N PRO 103.A O no hydrogen 2.957 N/A ILE 173.A N PHE 139.A O no hydrogen 3.017 N/A ALA 177.A N ARG 304.A O no hydrogen 2.945 N/A LYS 180.A NZ ILE 277.A O no hydrogen 3.519 N/A THR 181.A N GLY 281.A O no hydrogen 2.837 N/A THR 181.A OG1 VAL 282.A O no hydrogen 2.636 N/A SER 184.A N GLU 243.A O no hydrogen 3.076 N/A SER 184.A OG GLU 243.A O no hydrogen 3.554 N/A SER 185.A N GLU 243.A O no hydrogen 3.143 N/A ILE 186.A N GLU 217.A O no hydrogen 2.955 N/A ARG 187.A N VAL 241.A O no hydrogen 2.886 N/A VAL 189.A N THR 239.A O no hydrogen 2.861 N/A SER 190.A N THR 221.A O no hydrogen 2.964 N/A SER 190.A OG VAL 200.A O no hydrogen 3.005 N/A TYR 191.A N GLY 237.A O no hydrogen 3.008 N/A THR 193.A N GLY 235.A O no hydrogen 2.751 N/A THR 193.A OG1 SER 230.A O no hydrogen 2.400 N/A THR 193.A OG1 SER 233.A O no hydrogen 3.550 N/A ARG 194.A N TRP 225.A O no hydrogen 2.904 N/A ARG 194.A NE GLY 231.A O no hydrogen 2.689 N/A LEU 199.A N SER 196.A O no hydrogen 3.286 N/A ASN 201.A N PRO 197.A O no hydrogen 3.381 N/A ARG 202.A N SER 198.A O no hydrogen 2.933 N/A ARG 202.A NE GLU 263.A OE1 no hydrogen 2.962 N/A ARG 202.A NE GLU 263.A OE2 no hydrogen 3.269 N/A ARG 202.A NH2 GLU 263.A OE2 no hydrogen 3.068 N/A MET 203.A N LEU 199.A O no hydrogen 3.003 N/A ILE 204.A N VAL 200.A O no hydrogen 3.151 N/A ASP 205.A N ASN 201.A O no hydrogen 2.835 N/A GLY 206.A N ARG 202.A O no hydrogen 3.052 N/A ALA 207.A N MET 203.A O no hydrogen 2.919 N/A LYS 208.A N ILE 204.A O no hydrogen 2.865 N/A LYS 208.A NZ VAL 218.A O no hydrogen 3.474 N/A LYS 209.A N ASP 205.A O no hydrogen 3.060 N/A VAL 210.A N ALA 207.A O no hydrogen 3.331 N/A LEU 211.A N ALA 207.A O no hydrogen 3.291 N/A ALA 214.A N LEU 211.A O no hydrogen 3.088 N/A CYS 216.A SG GLU 217.A O no hydrogen 3.760 N/A ASN 219.A N ILE 186.A O no hydrogen 3.261 N/A THR 221.A N GLY 188.A O no hydrogen 3.046 N/A THR 221.A OG1 GLY 188.A O no hydrogen 3.553 N/A ASP 223.A N SER 190.A O no hydrogen 2.904 N/A TRP 225.A N SER 192.A O no hydrogen 2.918 N/A TRP 225.A NE1 ASP 223.A OD2 no hydrogen 2.779 N/A SER 230.A N GLY 227.A O no hydrogen 3.361 N/A SER 230.A OG GLY 227.A O no hydrogen 2.619 N/A GLY 231.A N GLU 228.A O no hydrogen 3.253 N/A LYS 232.A N GLY 157.A O no hydrogen 3.048 N/A GLY 235.A N THR 193.A O no hydrogen 3.354 N/A GLY 237.A N TYR 191.A O no hydrogen 2.976 N/A LEU 238.A N ALA 254.A O no hydrogen 2.964 N/A THR 239.A N VAL 189.A O no hydrogen 3.036 N/A LEU 240.A N SER 252.A O no hydrogen 3.102 N/A VAL 241.A N ARG 187.A O no hydrogen 2.812 N/A ALA 242.A N ILE 250.A O no hydrogen 2.742 N/A GLU 243.A N SER 185.A O no hydrogen 2.822 N/A ASN 244.A N TRP 248.A O no hydrogen 3.466 N/A ASN 244.A ND2 MET 182.A O no hydrogen 3.337 N/A GLN 246.A N ASN 244.A OD1 no hydrogen 2.763 N/A GLY 247.A N ASN 244.A O no hydrogen 3.437 N/A TRP 248.A N ASN 244.A OD1 no hydrogen 3.414 N/A ARG 249.A NH1 TRP 248.A O no hydrogen 2.851 N/A ILE 250.A N ALA 242.A O no hydrogen 2.917 N/A SER 252.A N LEU 240.A O no hydrogen 3.233 N/A SER 252.A OG VAL 269.A O no hydrogen 2.836 N/A ALA 254.A N LEU 238.A O no hydrogen 3.150 N/A GLY 256.A N TRP 236.A O no hydrogen 2.952 N/A ASP 257.A N ASP 260.A OD2 no hydrogen 2.582 N/A ASP 260.A N ASP 257.A O no hydrogen 3.007 N/A GLU 263.A N GLU 263.A OE2 no hydrogen 3.067 N/A ASP 264.A N VAL 261.A O no hydrogen 2.820 N/A ILE 265.A N VAL 261.A O no hydrogen 3.019 N/A GLY 266.A N PRO 262.A O no hydrogen 2.818 N/A ALA 267.A N GLU 263.A O no hydrogen 2.935 N/A SER 268.A N ASP 264.A O no hydrogen 2.789 N/A VAL 269.A N ILE 265.A O no hydrogen 3.182 N/A ALA 270.A N GLY 266.A O no hydrogen 3.365 N/A TYR 271.A N ALA 267.A O no hydrogen 3.031 N/A HIS 272.A N SER 268.A O no hydrogen 3.052 N/A LEU 273.A N VAL 269.A O no hydrogen 2.947 N/A LEU 274.A N ALA 270.A O no hydrogen 3.058 N/A GLU 275.A N TYR 271.A O no hydrogen 2.909 N/A GLU 276.A N HIS 272.A O no hydrogen 2.715 N/A ILE 277.A N LEU 273.A O no hydrogen 2.873 N/A SER 278.A N LEU 274.A O no hydrogen 2.963 N/A LYS 279.A N GLU 275.A O no hydrogen 3.031 N/A LYS 279.A NZ GLU 275.A OE1 no hydrogen 2.935 N/A SER 280.A N ILE 277.A O no hydrogen 3.180 N/A SER 280.A OG ILE 277.A O no hydrogen 2.954 N/A GLY 281.A N VAL 283.A O no hydrogen 3.331 N/A VAL 282.A N ARG 306.A O no hydrogen 3.242 N/A GLY 284.A N GLN 287.A OE1 no hydrogen 2.959 N/A ARG 285.A N GLU 276.A OE2 no hydrogen 2.715 N/A ARG 285.A NE GLU 276.A OE1 no hydrogen 3.311 N/A ARG 285.A NE GLU 276.A OE2 no hydrogen 2.870 N/A ARG 285.A NH2 GLU 276.A OE1 no hydrogen 2.873 N/A ASN 286.A ND2 PHE 251.A O no hydrogen 2.853 N/A GLN 287.A N GLY 284.A O no hydrogen 2.764 N/A GLN 287.A NE2 GLY 131.A O no hydrogen 2.793 N/A GLN 287.A NE2 ARG 249.A O no hydrogen 2.874 N/A LEU 288.A N ARG 285.A O no hydrogen 3.399 N/A THR 291.A N GLN 287.A O no hydrogen 2.941 N/A THR 291.A OG1 GLN 287.A O no hydrogen 2.800 N/A ILE 292.A N LEU 288.A O no hydrogen 2.705 N/A LEU 293.A N PRO 289.A O no hydrogen 3.360 N/A TYR 294.A N LEU 290.A O no hydrogen 3.065 N/A TYR 294.A OH LEU 99.A O no hydrogen 2.969 N/A MET 295.A N THR 291.A O no hydrogen 3.097 N/A MET 295.A N ILE 292.A O no hydrogen 3.241 N/A ILE 296.A N ILE 292.A O no hydrogen 3.025 N/A ILE 297.A N LEU 293.A O no hydrogen 3.059 N/A GLY 298.A N MET 295.A O no hydrogen 3.027 N/A ILE 302.A N ASP 301.A OD1 no hydrogen 2.697 N/A GLY 303.A N ILE 347.A O no hydrogen 2.754 N/A ARG 304.A N MET 175.A O no hydrogen 2.693 N/A LEU 305.A N ALA 345.A O no hydrogen 2.990 N/A ARG 306.A N ALA 177.A O no hydrogen 2.973 N/A ARG 306.A NE ASP 342.A OD2 no hydrogen 2.798 N/A ARG 306.A NH1 LEU 178.A O no hydrogen 2.983 N/A ARG 306.A NH1 ASP 338.A OD1 no hydrogen 3.238 N/A ARG 306.A NH2 ASP 338.A OD1 no hydrogen 2.895 N/A ARG 306.A NH2 ASP 342.A OD2 no hydrogen 2.800 N/A ILE 307.A N LEU 343.A O no hydrogen 2.846 N/A THR 308.A OG1 LYS 279.A O no hydrogen 3.194 N/A GLN 311.A N THR 308.A O no hydrogen 2.894 N/A GLN 311.A NE2 VAL 283.A O no hydrogen 2.857 N/A ILE 312.A N LYS 309.A O no hydrogen 3.103 N/A PHE 316.A N ASP 313.A OD1 no hydrogen 2.871 N/A VAL 317.A N ASP 313.A O no hydrogen 3.017 N/A TRP 318.A N GLU 314.A O no hydrogen 3.117 N/A LEU 319.A N ARG 315.A O no hydrogen 2.980 N/A LEU 320.A N PHE 316.A O no hydrogen 3.068 N/A ARG 321.A N VAL 317.A O no hydrogen 2.919 N/A ASP 322.A N TRP 318.A O no hydrogen 2.960 N/A ILE 323.A N LEU 319.A O no hydrogen 3.184 N/A LYS 324.A N LEU 320.A O no hydrogen 2.776 N/A LYS 325.A N ARG 321.A O no hydrogen 3.062 N/A LYS 325.A NZ THR 5.A O no hydrogen 2.629 N/A VAL 326.A N ASP 322.A O no hydrogen 3.059 N/A PHE 327.A N ILE 323.A O no hydrogen 2.856 N/A GLY 328.A N LYS 324.A O no hydrogen 2.771 N/A LEU 332.A N THR 346.A O no hydrogen 3.348 N/A LYS 334.A N ILE 344.A O no hydrogen 3.185 N/A VAL 336.A N ASP 342.A O no hydrogen 3.151 N/A THR 340.A N ASP 338.A OD2 no hydrogen 2.916 N/A THR 340.A OG1 ASP 338.A OD2 no hydrogen 2.725 N/A ASP 342.A N THR 340.A OG1 no hydrogen 3.426 N/A LEU 343.A N ILE 307.A O no hydrogen 3.012 N/A ILE 344.A N LYS 334.A O no hydrogen 2.665 N/A ALA 345.A N LEU 305.A O no hydrogen 2.813 N/A THR 346.A N LEU 332.A O no hydrogen 2.743 N/A THR 346.A OG1 ILE 344.A O no hydrogen 3.508 N/A ILE 347.A N GLY 303.A O no hydrogen 2.872 N/A GLY 349.A N ASP 301.A O no hydrogen 2.899 N/A GLY 351.A N GLY 298.A O no hydrogen 3.442 N/A