Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3puv_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N ILE 25.A O no hydrogen 2.860 N/A GLN 4.A N PHE 60.A O no hydrogen 2.833 N/A LEU 5.A N LEU 23.A O no hydrogen 2.846 N/A GLN 6.A N ASP 58.A O no hydrogen 2.981 N/A ASN 7.A N ASN 22.A OD1 no hydrogen 2.853 N/A VAL 8.A N ILE 21.A O no hydrogen 3.222 N/A THR 9.A N SER 56.A O no hydrogen 2.811 N/A LYS 10.A N SER 18.A O no hydrogen 2.975 N/A LYS 10.A NZ THR 53.A O no hydrogen 2.736 N/A ALA 11.A N THR 55.A OG1 no hydrogen 2.813 N/A TRP 12.A N VAL 15.A O no hydrogen 2.728 N/A VAL 17.A N LYS 10.A O no hydrogen 3.020 N/A SER 18.A N LYS 10.A O no hydrogen 3.105 N/A LYS 19.A N GLY 209.A O no hydrogen 2.901 N/A LYS 19.A NZ ALA 208.A O no hydrogen 3.088 N/A ASP 20.A N THR 9.A OG1 no hydrogen 3.271 N/A ILE 21.A N VAL 8.A O no hydrogen 3.037 N/A ASN 22.A ND2 ASN 7.A OD1 no hydrogen 3.617 N/A LEU 23.A N LEU 5.A O no hydrogen 2.929 N/A ILE 25.A N VAL 3.A O no hydrogen 2.921 N/A HIS 26.A N GLU 29.A OE2 no hydrogen 2.984 N/A GLY 28.A N THR 185.A OG1 no hydrogen 3.423 N/A GLU 29.A N HIS 26.A O no hydrogen 3.383 N/A PHE 30.A N ASP 201.A OD2 no hydrogen 3.457 N/A VAL 31.A N MET 186.A O no hydrogen 2.900 N/A VAL 32.A N LYS 202.A O no hydrogen 3.107 N/A PHE 33.A N TYR 188.A O no hydrogen 2.936 N/A VAL 34.A N VAL 204.A O no hydrogen 2.901 N/A CYS 39.A N PRO 36.A O no hydrogen 3.186 N/A CYS 39.A SG PRO 36.A O no hydrogen 3.097 N/A LYS 41.A NZ GLY 35.A O no hydrogen 3.145 N/A LYS 41.A NZ PRO 36.A O no hydrogen 2.880 N/A SER 42.A OG GLN 81.A OE1 no hydrogen 2.931 N/A SER 42.A OG ASP 157.A OD1 no hydrogen 3.542 N/A SER 42.A OG ASP 157.A OD2 no hydrogen 2.678 N/A LEU 44.A N GLY 40.A O no hydrogen 3.206 N/A LEU 45.A N LYS 41.A O no hydrogen 3.339 N/A ARG 46.A N SER 42.A O no hydrogen 2.731 N/A ARG 46.A NE GLU 52.A OE1 no hydrogen 2.845 N/A ARG 46.A NH2 GLU 52.A OE1 no hydrogen 3.480 N/A MET 47.A N THR 43.A O no hydrogen 3.052 N/A ILE 48.A N LEU 44.A O no hydrogen 3.065 N/A ALA 49.A N LEU 45.A O no hydrogen 2.892 N/A GLY 50.A N ARG 46.A O no hydrogen 3.012 N/A LEU 51.A N ARG 46.A O no hydrogen 2.717 N/A GLU 52.A N ARG 46.A O no hydrogen 3.120 N/A THR 55.A N THR 9.A O no hydrogen 3.008 N/A SER 56.A N THR 9.A O no hydrogen 3.324 N/A ASP 58.A N GLN 6.A O no hydrogen 2.994 N/A LEU 59.A N ASN 67.A OD1 no hydrogen 2.752 N/A PHE 60.A N GLN 4.A O no hydrogen 2.814 N/A ILE 61.A N LYS 64.A O no hydrogen 3.065 N/A GLY 62.A N SER 2.A O no hydrogen 2.758 N/A LYS 64.A N ILE 61.A O no hydrogen 3.360 N/A ARG 65.A NE ASP 58.A OD1 no hydrogen 2.754 N/A ARG 65.A NH2 ASP 58.A OD1 no hydrogen 3.411 N/A MET 66.A N LEU 59.A O no hydrogen 2.890 N/A ASN 67.A ND2 GLY 57.A O no hydrogen 2.758 N/A THR 69.A N MET 66.A O no hydrogen 3.037 N/A THR 69.A OG1 MET 66.A O no hydrogen 3.537 N/A GLU 73.A N PRO 70.A O no hydrogen 2.973 N/A ARG 74.A N PRO 71.A O no hydrogen 3.349 N/A ARG 74.A NE THR 69.A O no hydrogen 3.010 N/A ARG 74.A NH1 MET 47.A O no hydrogen 2.836 N/A ARG 74.A NH1 ILE 48.A O no hydrogen 2.815 N/A ARG 74.A NH2 THR 69.A O no hydrogen 3.130 N/A GLY 77.A N VAL 153.A O no hydrogen 2.968 N/A VAL 79.A N LEU 155.A O no hydrogen 2.690 N/A TYR 83.A N PHE 80.A O no hydrogen 3.093 N/A TYR 83.A OH ASN 162.A OD1 no hydrogen 3.037 N/A ALA 84.A N SER 82.A O.A no hydrogen 2.698 N/A ALA 84.A N SER 82.A O.B no hydrogen 2.692 N/A TYR 86.A N ASN 94.A OD1 no hydrogen 2.776 N/A LEU 89.A N TYR 86.A O no hydrogen 3.094 N/A SER 90.A N GLU 93.A OE1 no hydrogen 3.150 N/A SER 90.A OG GLU 93.A OE1 no hydrogen 3.532 N/A VAL 91.A N ARG 128.A O no hydrogen 2.871 N/A ALA 92.A N LEU 126.A O no hydrogen 3.054 N/A GLU 93.A N SER 90.A OG no hydrogen 3.393 N/A ASN 94.A N SER 90.A O no hydrogen 2.685 N/A ASN 94.A ND2 TYR 86.A O no hydrogen 3.038 N/A ASN 94.A ND2 SER 90.A O no hydrogen 2.984 N/A MET 95.A N VAL 91.A O no hydrogen 2.935 N/A SER 96.A OG ALA 92.A O no hydrogen 2.791 N/A SER 96.A OG GLU 93.A O no hydrogen 3.391 N/A LYS 100.A N SER 96.A O no hydrogen 3.170 N/A LYS 100.A NZ SER 96.A OG no hydrogen 3.321 N/A ILE 109.A N LYS 105.A O no hydrogen 2.937 N/A ASN 110.A N LYS 106.A O no hydrogen 2.886 N/A GLN 111.A N GLU 107.A O no hydrogen 3.044 N/A ARG 112.A N VAL 108.A O no hydrogen 3.478 N/A ARG 112.A NH2 VAL 148.A O no hydrogen 2.738 N/A VAL 113.A N ILE 109.A O no hydrogen 3.055 N/A ASN 114.A N ASN 110.A O no hydrogen 3.172 N/A ALA 117.A N VAL 113.A O no hydrogen 2.904 N/A GLU 118.A N ASN 114.A O no hydrogen 2.943 N/A GLN 121.A NE2 GLN 170.A OE1 no hydrogen 3.077 N/A LEU 122.A N ALA 117.A O no hydrogen 2.795 N/A LEU 125.A N LEU 122.A O no hydrogen 3.148 N/A ARG 128.A N LEU 125.A O no hydrogen 3.114 N/A ARG 128.A NH1 ALA 132.A O no hydrogen 2.863 N/A ALA 132.A N LYS 129.A O no hydrogen 2.780 N/A SER 134.A N GLN 137.A OE1 no hydrogen 2.781 N/A GLN 137.A N SER 134.A O no hydrogen 3.074 N/A GLN 137.A N SER 134.A OG no hydrogen 3.344 N/A ARG 138.A N SER 134.A O no hydrogen 2.900 N/A ARG 138.A NE PRO 130.A O no hydrogen 2.803 N/A ARG 138.A NE LEU 133.A O no hydrogen 3.310 N/A GLN 139.A N GLY 135.A O no hydrogen 3.301 N/A GLN 139.A NE2 SER 161.A OG no hydrogen 3.151 N/A ARG 140.A N GLY 136.A O no hydrogen 3.325 N/A ARG 140.A NE LEU 120.A O no hydrogen 2.973 N/A ARG 140.A NH2 LEU 120.A O no hydrogen 3.353 N/A VAL 141.A N GLN 137.A O no hydrogen 3.078 N/A ALA 142.A N ARG 138.A O no hydrogen 2.978 N/A ILE 143.A N GLN 139.A O no hydrogen 3.082 N/A GLY 144.A N ARG 140.A O no hydrogen 2.924 N/A ARG 145.A N VAL 141.A O no hydrogen 2.875 N/A ARG 145.A NH2 TYR 83.A O no hydrogen 3.208 N/A ARG 145.A NH2 ALA 84.A O no hydrogen 2.659 N/A THR 146.A OG1 MET 78.A O no hydrogen 3.314 N/A THR 146.A OG1 ALA 142.A O no hydrogen 3.316 N/A LEU 147.A N ILE 143.A O no hydrogen 2.861 N/A VAL 148.A N GLY 144.A O no hydrogen 3.266 N/A GLU 150.A N THR 146.A O no hydrogen 3.192 N/A VAL 153.A N GLY 75.A O no hydrogen 3.144 N/A PHE 154.A N THR 185.A O no hydrogen 2.898 N/A LEU 155.A N GLY 77.A O no hydrogen 2.781 N/A LEU 156.A N ILE 187.A O no hydrogen 2.954 N/A ASP 157.A N VAL 79.A O no hydrogen 3.055 N/A GLU 158.A N VAL 189.A O no hydrogen 2.970 N/A SER 161.A N GLU 158.A O no hydrogen 3.495 N/A SER 161.A OG GLU 158.A O no hydrogen 3.356 N/A SER 161.A OG ASN 162.A OD1 no hydrogen 2.820 N/A ASN 162.A N GLN 139.A OE1 no hydrogen 3.075 N/A LEU 163.A N LEU 160.A O no hydrogen 3.065 N/A LEU 167.A N ASP 164.A OD2 no hydrogen 2.849 N/A ARG 168.A N ASP 164.A O no hydrogen 2.828 N/A ARG 168.A NH2 LEU 163.A O no hydrogen 2.986 N/A VAL 169.A N ALA 165.A O no hydrogen 3.283 N/A GLN 170.A N ALA 166.A O no hydrogen 3.280 N/A MET 171.A N LEU 167.A O no hydrogen 2.890 N/A ARG 172.A N.A ARG 168.A O no hydrogen 3.075 N/A ARG 172.A N.B ARG 168.A O no hydrogen 3.075 N/A ILE 173.A N VAL 169.A O no hydrogen 3.361 N/A GLU 174.A N GLN 170.A O no hydrogen 3.452 N/A ILE 175.A N MET 171.A O no hydrogen 2.973 N/A SER 176.A N ARG 172.A O.A no hydrogen 2.992 N/A SER 176.A N ARG 172.A O.B no hydrogen 2.996 N/A ARG 177.A N ILE 173.A O no hydrogen 2.664 N/A ARG 177.A NH1 GLU 174.A OE2 no hydrogen 3.203 N/A LEU 178.A N GLU 174.A O no hydrogen 3.244 N/A HIS 179.A N ILE 175.A O no hydrogen 3.175 N/A HIS 179.A NE2 GLY 28.A O no hydrogen 2.776 N/A LYS 180.A N SER 176.A O no hydrogen 3.329 N/A ARG 181.A N ARG 177.A O no hydrogen 3.087 N/A ARG 181.A N LEU 178.A O no hydrogen 3.051 N/A LEU 182.A N LEU 178.A O no hydrogen 2.857 N/A GLY 183.A N HIS 179.A O no hydrogen 2.908 N/A ARG 184.A NE PRO 151.A O no hydrogen 3.103 N/A ARG 184.A NH2 PRO 151.A O no hydrogen 3.259 N/A THR 185.A OG1 ALA 1.A O no hydrogen 2.467 N/A MET 186.A N GLU 29.A O no hydrogen 3.180 N/A ILE 187.A N PHE 154.A O no hydrogen 2.722 N/A TYR 188.A N VAL 31.A O no hydrogen 2.949 N/A TYR 188.A OH GLU 195.A OE1 no hydrogen 2.644 N/A VAL 189.A N LEU 156.A O no hydrogen 2.779 N/A THR 190.A N PHE 33.A O no hydrogen 3.302 N/A THR 190.A OG1 GLU 195.A OE1 no hydrogen 2.809 N/A ASP 192.A N THR 190.A OG1 no hydrogen 3.041 N/A GLN 193.A NE2 PHE 232.A O no hydrogen 3.261 N/A GLU 195.A N ASP 192.A OD1 no hydrogen 3.274 N/A ALA 196.A N ASP 192.A O no hydrogen 3.344 N/A MET 197.A N GLN 193.A O no hydrogen 3.161 N/A THR 198.A N VAL 194.A O no hydrogen 3.002 N/A THR 198.A OG1 VAL 194.A O no hydrogen 2.756 N/A THR 198.A OG1 GLU 195.A O no hydrogen 3.054 N/A LEU 199.A N GLU 195.A O no hydrogen 2.931 N/A ALA 200.A N ALA 196.A O no hydrogen 3.285 N/A ASP 201.A N PHE 30.A O no hydrogen 2.903 N/A LYS 202.A NZ GLU 29.A OE2 no hydrogen 3.139 N/A ILE 203.A N GLY 215.A O no hydrogen 2.766 N/A VAL 204.A N VAL 32.A O no hydrogen 2.824 N/A VAL 205.A N GLN 213.A O no hydrogen 2.900 N/A LEU 206.A N VAL 34.A O no hydrogen 2.966 N/A ASP 207.A N ARG 210.A O no hydrogen 2.889 N/A GLY 209.A N CYS 39.A O no hydrogen 3.158 N/A ARG 210.A N ASP 207.A O no hydrogen 3.435 N/A ALA 212.A N VAL 205.A O no hydrogen 2.715 N/A GLN 213.A NE2 TYR 223.A O no hydrogen 3.308 N/A GLY 215.A N ILE 203.A O no hydrogen 3.044 N/A LEU 220.A N LYS 216.A O no hydrogen 3.086 N/A TYR 221.A N PRO 217.A O no hydrogen 3.227 N/A TYR 221.A OH GLU 287.A OE2 no hydrogen 2.513 N/A TYR 221.A OH HIS 288.A NE2 no hydrogen 3.348 N/A HIS 222.A N LEU 218.A O no hydrogen 2.831 N/A TYR 223.A N GLU 219.A O no hydrogen 3.090 N/A TYR 223.A OH HIS 365.A O no hydrogen 3.035 N/A ALA 225.A N GLN 213.A OE1 no hydrogen 2.724 N/A ARG 227.A N GLY 358.A O no hydrogen 2.772 N/A VAL 229.A N ASP 226.A OD1 no hydrogen 3.051 N/A ALA 230.A N ASP 226.A O no hydrogen 3.177 N/A GLY 231.A N ARG 227.A O no hydrogen 3.219 N/A GLY 231.A N PHE 228.A O no hydrogen 3.164 N/A PHE 232.A N VAL 229.A O no hydrogen 3.027 N/A ILE 233.A N VAL 229.A O no hydrogen 3.009 N/A GLY 234.A N GLN 193.A OE1 no hydrogen 2.527 N/A LYS 237.A NZ.B MET 238.A O no hydrogen 2.802 N/A ASN 239.A N ILE 284.A O no hydrogen 2.933 N/A ASN 239.A ND2 ILE 284.A O no hydrogen 3.099 N/A ASN 239.A ND2 VAL 327.A O no hydrogen 2.997 N/A LEU 241.A N LEU 282.A O no hydrogen 2.851 N/A VAL 243.A N MET 280.A O no hydrogen 3.069 N/A LYS 244.A N GLU 256.A O no hydrogen 3.391 N/A VAL 245.A N ALA 278.A O no hydrogen 3.108 N/A THR 246.A N GLN 254.A O no hydrogen 2.895 N/A THR 246.A OG1 GLN 254.A O no hydrogen 3.034 N/A THR 246.A OG1 GLN 254.A OE1 no hydrogen 2.870 N/A ALA 249.A N GLN 252.A O no hydrogen 2.863 N/A GLN 252.A N ALA 249.A O no hydrogen 3.361 N/A VAL 253.A N LEU 267.A O no hydrogen 2.987 N/A GLN 254.A N ALA 247.A O no hydrogen 2.909 N/A GLN 254.A NE2 GLN 264.A OE1 no hydrogen 3.486 N/A VAL 255.A N VAL 265.A O no hydrogen 2.848 N/A GLU 256.A N LYS 244.A O no hydrogen 2.789 N/A LEU 257.A N GLN 263.A O no hydrogen 2.822 N/A ARG 262.A N MET 259.A O.A no hydrogen 2.891 N/A ARG 262.A N MET 259.A O.B no hydrogen 2.760 N/A ARG 262.A NE GLU 256.A OE1 no hydrogen 3.228 N/A GLN 263.A NE2 ASP 296.A O no hydrogen 3.286 N/A VAL 265.A N VAL 255.A O no hydrogen 2.934 N/A LEU 267.A N VAL 253.A O no hydrogen 2.773 N/A GLU 270.A N ARG 362.A O no hydrogen 3.032 N/A SER 271.A OG ALA 249.A O no hydrogen 2.766 N/A SER 271.A OG ILE 250.A O no hydrogen 3.443 N/A ARG 272.A NE GLU 270.A OE1 no hydrogen 3.244 N/A ARG 272.A NE GLU 270.A OE2 no hydrogen 3.477 N/A ARG 272.A NH2 GLU 270.A OE2 no hydrogen 3.184 N/A VAL 274.A N SER 271.A O no hydrogen 3.074 N/A GLY 277.A N VAL 245.A O no hydrogen 2.814 N/A ALA 278.A N GLN 275.A O no hydrogen 3.257 N/A MET 280.A N VAL 243.A O no hydrogen 2.933 N/A SER 281.A N PHE 354.A O no hydrogen 2.939 N/A LEU 282.A N LEU 241.A O no hydrogen 2.650 N/A GLY 283.A N HIS 352.A O no hydrogen 2.686 N/A ILE 284.A N ASN 239.A O no hydrogen 3.154 N/A ARG 285.A NH1 ILE 233.A O no hydrogen 2.634 N/A ARG 285.A NH2 TYR 221.A O no hydrogen 2.833 N/A ARG 285.A NH2 ILE 233.A O no hydrogen 3.409 N/A HIS 288.A N ARG 285.A O no hydrogen 2.954 N/A LEU 289.A N ARG 285.A O no hydrogen 3.316 N/A LEU 290.A N GLY 345.A O no hydrogen 2.854 N/A ILE 294.A N ASP 293.A OD2 no hydrogen 2.685 N/A LEU 299.A N ILE 344.A O no hydrogen 2.957 N/A GLY 301.A N PHE 342.A O no hydrogen 3.043 N/A GLU 302.A N GLN 318.A O no hydrogen 3.020 N/A VAL 303.A N ALA 340.A O no hydrogen 3.021 N/A GLN 304.A N HIS 316.A O no hydrogen 2.734 N/A VAL 305.A N HIS 316.A O no hydrogen 3.471 N/A GLU 307.A N GLN 314.A O no hydrogen 2.802 N/A LEU 309.A N GLU 312.A O no hydrogen 3.170 N/A THR 313.A N GLN 330.A O no hydrogen 2.831 N/A THR 313.A OG1 GLN 308.A OE1 no hydrogen 3.448 N/A THR 313.A OG1 ASP 332.A O no hydrogen 2.767 N/A GLN 314.A N GLU 307.A O no hydrogen 2.955 N/A GLN 314.A NE2 GLU 312.A OE2 no hydrogen 3.343 N/A ILE 315.A N TYR 328.A O no hydrogen 2.884 N/A HIS 316.A N VAL 305.A O no hydrogen 2.850 N/A ILE 317.A N LEU 326.A O no hydrogen 2.800 N/A GLN 318.A N GLU 302.A O no hydrogen 2.778 N/A ILE 322.A N ILE 319.A O no hydrogen 3.202 N/A LEU 326.A N ILE 317.A O no hydrogen 2.865 N/A VAL 327.A N ASN 239.A OD1 no hydrogen 2.828 N/A TYR 328.A N ILE 315.A O no hydrogen 2.898 N/A TYR 328.A OH GLN 330.A OE1 no hydrogen 3.221 N/A ARG 329.A N PRO 286.A O no hydrogen 3.148 N/A ARG 329.A NE GLU 312.A OE1 no hydrogen 3.228 N/A ARG 329.A NE GLU 312.A OE2 no hydrogen 3.040 N/A ARG 329.A NH2 GLU 312.A OE1 no hydrogen 2.861 N/A ARG 329.A NH2 GLU 312.A OE2 no hydrogen 2.961 N/A GLN 330.A N THR 313.A O no hydrogen 2.921 N/A ASP 332.A N ASN 311.A O no hydrogen 3.034 N/A VAL 334.A N THR 313.A OG1 no hydrogen 3.195 N/A GLY 339.A N VAL 303.A O no hydrogen 2.880 N/A ALA 340.A N GLU 337.A O no hydrogen 3.376 N/A PHE 342.A N GLY 301.A O no hydrogen 3.144 N/A ILE 344.A N LEU 299.A O no hydrogen 2.929 N/A GLY 345.A N LEU 290.A O no hydrogen 2.594 N/A LEU 346.A N VAL 297.A O no hydrogen 2.968 N/A ARG 350.A N PRO 347.A O no hydrogen 3.309 N/A ARG 350.A NE GLU 367.A OE2 no hydrogen 2.556 N/A ARG 350.A NH2 GLU 367.A OE2 no hydrogen 2.986 N/A CYS 351.A N PRO 348.A O no hydrogen 3.187 N/A CYS 351.A SG PRO 347.A O no hydrogen 3.376 N/A HIS 352.A N GLY 283.A O no hydrogen 2.646 N/A PHE 354.A N SER 281.A O no hydrogen 2.921 N/A ARG 355.A N THR 359.A O no hydrogen 2.815 N/A ARG 355.A NE ARG 272.A O no hydrogen 3.339 N/A ARG 355.A NH1 THR 359.A O no hydrogen 3.529 N/A ARG 355.A NH2 GLU 270.A OE2 no hydrogen 3.504 N/A ARG 355.A NH2 ARG 272.A O no hydrogen 2.700 N/A GLY 358.A N ARG 355.A O no hydrogen 2.843 N/A THR 359.A N ASP 357.A OD1 no hydrogen 3.051 N/A THR 359.A OG1 ALA 225.A O no hydrogen 3.474 N/A ALA 360.A N ALA 225.A O no hydrogen 2.834 N/A CYS 361.A N LEU 353.A O no hydrogen 2.822 N/A CYS 361.A SG LEU 353.A O no hydrogen 3.765 N/A ARG 362.A N GLU 270.A OE2 no hydrogen 2.920 N/A ARG 363.A NE HIS 222.A O no hydrogen 3.342 N/A ARG 363.A NH1 GLU 367.A OE1 no hydrogen 3.458 N/A ARG 363.A NH2 HIS 222.A O no hydrogen 3.469 N/A ARG 363.A NH2 GLU 367.A OE1 no hydrogen 2.946 N/A LEU 364.A N PRO 268.A O no hydrogen 2.946 N/A GLU 367.A N TYR 223.A OH no hydrogen 3.000 N/A