Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4rer_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A NZ GLU 28.A OE2 no hydrogen 2.792 N/A ILE 5.A N TYR 8.A O no hydrogen 2.615 N/A HIS 7.A ND1 GLU 28.A OE1 no hydrogen 2.967 N/A TYR 8.A N ILE 5.A O no hydrogen 2.752 N/A TYR 8.A OH HIS 32.A ND1 no hydrogen 2.721 N/A ILE 9.A N LYS 26.A O no hydrogen 2.909 N/A LEU 10.A N VAL 3.A O no hydrogen 3.035 N/A GLY 11.A N VAL 24.A O no hydrogen 2.647 N/A LEU 14.A N VAL 22.A O no hydrogen 2.711 N/A GLY 15.A N VAL 22.A O no hydrogen 3.290 N/A VAL 22.A N GLY 15.A O no hydrogen 2.929 N/A LYS 23.A N VAL 36.A O no hydrogen 3.271 N/A LYS 23.A NZ THR 13.A OG1 no hydrogen 2.975 N/A VAL 24.A N ASP 12.A O no hydrogen 3.041 N/A GLY 25.A N VAL 34.A O no hydrogen 2.613 N/A LYS 26.A N ILE 9.A O no hydrogen 2.857 N/A HIS 27.A N HIS 32.A O no hydrogen 3.047 N/A GLU 28.A N HIS 7.A O no hydrogen 2.703 N/A LEU 29.A N HIS 27.A ND1 no hydrogen 3.321 N/A THR 30.A N HIS 27.A ND1 no hydrogen 3.368 N/A HIS 32.A N THR 30.A OG1 no hydrogen 3.170 N/A HIS 32.A ND1 TYR 8.A OH no hydrogen 2.721 N/A VAL 34.A N GLY 25.A O no hydrogen 3.319 N/A ALA 35.A N MET 85.A O no hydrogen 2.956 N/A VAL 36.A N LYS 23.A O no hydrogen 3.030 N/A LYS 37.A N MET 83.A O no hydrogen 2.955 N/A LYS 37.A NZ GLU 56.A OE1 no hydrogen 3.168 N/A LYS 37.A NZ GLU 56.A OE2 no hydrogen 3.530 N/A ILE 38.A N LYS 21.A O no hydrogen 3.040 N/A LEU 39.A N ILE 81.A O no hydrogen 2.911 N/A ARG 41.A N SER 79.A O no hydrogen 3.283 N/A ILE 44.A N ASN 40.A O no hydrogen 2.961 N/A ARG 45.A N ARG 41.A O no hydrogen 2.799 N/A ILE 53.A N VAL 49.A O no hydrogen 2.967 N/A ARG 54.A N VAL 50.A O no hydrogen 3.103 N/A ARG 55.A N GLY 51.A O no hydrogen 3.026 N/A ARG 55.A NH1 SER 153.A O no hydrogen 3.300 N/A ILE 57.A N ILE 53.A O no hydrogen 3.222 N/A GLN 58.A N ARG 54.A O no hydrogen 2.997 N/A ASN 59.A N ARG 55.A O no hydrogen 3.065 N/A LEU 60.A N GLU 56.A O no hydrogen 2.959 N/A LYS 61.A N ILE 57.A O no hydrogen 3.044 N/A LYS 61.A NZ TYR 72.A O no hydrogen 3.503 N/A PHE 63.A N LEU 60.A O no hydrogen 3.364 N/A ARG 64.A N TYR 121.A OH no hydrogen 3.112 N/A HIS 67.A N HIS 65.A ND1 no hydrogen 3.003 N/A ILE 68.A N HIS 65.A O no hydrogen 3.240 N/A ILE 69.A N ILE 147.A O no hydrogen 2.923 N/A LYS 70.A N GLU 86.A OE1 no hydrogen 2.819 N/A THR 77.A N ASP 80.A O no hydrogen 3.336 N/A THR 77.A OG1 SER 79.A OG no hydrogen 3.205 N/A SER 79.A N THR 77.A OG1 no hydrogen 3.359 N/A SER 79.A OG THR 77.A OG1 no hydrogen 3.205 N/A SER 79.A OG ASP 80.A OD1 no hydrogen 3.039 N/A ILE 81.A N LEU 39.A O no hydrogen 2.710 N/A PHE 82.A N ILE 75.A O no hydrogen 2.730 N/A MET 83.A N LYS 37.A O no hydrogen 3.055 N/A VAL 84.A N GLN 73.A O no hydrogen 3.157 N/A LEU 93.A N VAL 137.A O no hydrogen 2.799 N/A PHE 94.A N PRO 134.A O no hydrogen 3.237 N/A ASP 95.A N GLU 92.A O no hydrogen 3.231 N/A TYR 96.A OH GLU 107.A OE1 no hydrogen 3.226 N/A ILE 97.A N LEU 93.A O no hydrogen 2.662 N/A CYS 98.A N PHE 94.A O no hydrogen 3.196 N/A LYS 99.A N ASP 95.A O no hydrogen 3.116 N/A ASN 100.A N TYR 96.A O no hydrogen 3.027 N/A GLY 101.A N CYS 98.A O no hydrogen 3.213 N/A SER 108.A N ASP 104.A O no hydrogen 2.847 N/A SER 108.A OG ASP 104.A O no hydrogen 2.733 N/A SER 108.A OG GLU 105.A O no hydrogen 3.345 N/A ARG 109.A N GLU 105.A O no hydrogen 2.985 N/A ARG 110.A NE GLU 107.A OE2 no hydrogen 3.403 N/A ARG 110.A NH1 MET 143.A O no hydrogen 3.122 N/A ARG 110.A NH2 GLU 107.A OE1 no hydrogen 2.713 N/A ARG 110.A NH2 MET 143.A O no hydrogen 2.788 N/A LEU 111.A N GLU 107.A O no hydrogen 3.117 N/A PHE 112.A N SER 108.A O no hydrogen 3.002 N/A GLN 113.A N ARG 109.A O no hydrogen 3.145 N/A GLN 113.A NE2 PHE 259.A O no hydrogen 2.994 N/A GLN 113.A NE2 GLN 261.A O no hydrogen 3.433 N/A GLN 114.A N ARG 110.A O no hydrogen 3.340 N/A ILE 115.A N LEU 111.A O no hydrogen 2.993 N/A LEU 116.A N PHE 112.A O no hydrogen 2.861 N/A SER 117.A N GLN 113.A O no hydrogen 3.047 N/A SER 117.A OG GLN 113.A O no hydrogen 3.387 N/A SER 117.A OG GLN 114.A O no hydrogen 2.544 N/A GLY 118.A N GLN 114.A O no hydrogen 3.207 N/A VAL 119.A N ILE 115.A O no hydrogen 2.987 N/A ASP 120.A N LEU 116.A O no hydrogen 2.968 N/A TYR 121.A N SER 117.A O no hydrogen 3.069 N/A CYS 122.A N GLY 118.A O no hydrogen 3.047 N/A CYS 122.A SG GLY 118.A O no hydrogen 3.147 N/A HIS 123.A N VAL 119.A O no hydrogen 2.840 N/A HIS 123.A NE2 ASP 187.A OD2 no hydrogen 3.012 N/A ARG 124.A N ASP 120.A O no hydrogen 2.911 N/A HIS 125.A N TYR 121.A O no hydrogen 3.192 N/A HIS 125.A N CYS 122.A O no hydrogen 3.012 N/A MET 126.A N HIS 123.A O no hydrogen 3.178 N/A VAL 127.A N CYS 122.A O no hydrogen 3.028 N/A VAL 128.A N ASN 154.A O no hydrogen 2.927 N/A HIS 129.A N ASP 187.A OD2 no hydrogen 2.914 N/A ARG 130.A NE LEU 152.A O no hydrogen 2.768 N/A ARG 130.A NH2 LEU 152.A O no hydrogen 3.269 N/A LYS 133.A NZ ASP 131.A OD2 no hydrogen 3.276 N/A ASN 136.A N LYS 133.A O no hydrogen 2.839 N/A ASN 136.A ND2 ASP 131.A O no hydrogen 2.754 N/A ASN 136.A ND2 ASP 131.A OD2 no hydrogen 3.210 N/A VAL 137.A N PRO 134.A O no hydrogen 3.406 N/A LEU 138.A N LYS 146.A O no hydrogen 2.475 N/A HIS 142.A N ASP 140.A OD1 no hydrogen 3.171 N/A MET 143.A N ASP 140.A O no hydrogen 2.909 N/A ASN 144.A N ASP 140.A OD1 no hydrogen 2.762 N/A ASN 144.A ND2 ASP 140.A OD2 no hydrogen 3.130 N/A ALA 145.A N GLN 114.A OE1 no hydrogen 2.616 N/A LYS 146.A N LEU 138.A O no hydrogen 2.764 N/A LYS 146.A NZ PRO 66.A O no hydrogen 2.676 N/A LYS 146.A NZ GLU 86.A OE2 no hydrogen 2.770 N/A ILE 147.A N HIS 67.A O no hydrogen 2.535 N/A ALA 148.A N ASN 136.A O no hydrogen 3.046 N/A GLY 151.A N ASP 149.A OD1 no hydrogen 2.742 N/A SER 153.A N PHE 150.A O no hydrogen 3.021 N/A SER 153.A OG VAL 128.A O no hydrogen 2.675 N/A SER 153.A OG ASN 154.A O no hydrogen 3.430 N/A ASN 154.A N VAL 128.A O no hydrogen 3.096 N/A MET 155.A N ASN 154.A OD1 no hydrogen 2.600 N/A MET 156.A N MET 126.A O no hydrogen 2.699 N/A GLU 160.A N SER 157.A O no hydrogen 3.206 N/A LEU 162.A N TYR 181.A O no hydrogen 2.811 N/A SER 167.A N ASP 131.A OD1 no hydrogen 3.140 N/A SER 167.A OG ASP 131.A OD1 no hydrogen 3.536 N/A VAL 175.A N ALA 172.A O no hydrogen 3.116 N/A ILE 176.A N ALA 172.A O no hydrogen 3.079 N/A SER 177.A OG PRO 173.A O no hydrogen 3.429 N/A SER 177.A OG GLU 174.A O no hydrogen 2.833 N/A GLY 178.A N VAL 175.A O no hydrogen 3.102 N/A ARG 179.A N GLU 174.A O no hydrogen 3.090 N/A TYR 181.A N LEU 162.A O no hydrogen 3.223 N/A ALA 182.A N GLU 185.A OE2 no hydrogen 2.936 N/A GLY 183.A N GLU 185.A OE1 no hydrogen 2.728 N/A GLU 185.A N GLU 185.A OE1 no hydrogen 2.428 N/A ASP 187.A N PRO 184.A O no hydrogen 3.229 N/A ILE 188.A N PRO 184.A O no hydrogen 3.148 N/A TRP 189.A N GLU 185.A O no hydrogen 3.075 N/A SER 190.A N VAL 186.A O no hydrogen 3.314 N/A SER 190.A OG TYR 170.A O no hydrogen 2.814 N/A SER 190.A OG VAL 186.A O no hydrogen 3.024 N/A SER 191.A N ASP 187.A O no hydrogen 2.785 N/A SER 191.A OG ASP 187.A O no hydrogen 2.686 N/A GLY 192.A N ILE 188.A O no hydrogen 2.911 N/A VAL 193.A N TRP 189.A O no hydrogen 3.272 N/A ILE 194.A N SER 190.A O no hydrogen 3.289 N/A LEU 195.A N SER 191.A O no hydrogen 2.894 N/A TYR 196.A N GLY 192.A O no hydrogen 3.046 N/A TYR 196.A OH TYR 223.A O no hydrogen 2.425 N/A ALA 197.A N VAL 193.A O no hydrogen 2.997 N/A LEU 198.A N ILE 194.A O no hydrogen 2.883 N/A LEU 199.A N TYR 196.A O no hydrogen 3.082 N/A CYS 200.A N TYR 196.A O no hydrogen 2.928 N/A THR 212.A OG1 ASP 207.A OD2 no hydrogen 3.531 N/A THR 212.A OG1 HIS 209.A O no hydrogen 2.520 N/A LYS 215.A N PRO 211.A O no hydrogen 2.616 N/A LYS 216.A N THR 212.A O no hydrogen 2.773 N/A LYS 216.A NZ ASP 206.A O no hydrogen 3.446 N/A ILE 217.A N LEU 213.A O no hydrogen 2.765 N/A CYS 218.A N PHE 214.A O no hydrogen 2.708 N/A CYS 218.A SG PHE 214.A O no hydrogen 3.325 N/A ASP 219.A N LYS 215.A O no hydrogen 3.231 N/A THR 224.A OG1 THR 224.A O no hydrogen 2.599 N/A VAL 232.A N ASN 229.A OD1 no hydrogen 3.128 N/A SER 234.A N PRO 230.A O no hydrogen 2.767 N/A SER 234.A OG PRO 230.A O no hydrogen 3.332 N/A SER 234.A OG SER 231.A O no hydrogen 2.700 N/A SER 234.A OG HIS 256.A NE2 no hydrogen 3.307 N/A LEU 235.A N SER 231.A O no hydrogen 3.125 N/A LEU 236.A N VAL 232.A O no hydrogen 2.775 N/A LYS 237.A N ILE 233.A O no hydrogen 2.816 N/A HIS 238.A N SER 234.A O no hydrogen 3.139 N/A MET 239.A N LEU 235.A O no hydrogen 2.718 N/A LEU 240.A N LEU 236.A O no hydrogen 2.723 N/A MET 245.A N ASP 243.A OD1 no hydrogen 2.917 N/A LYS 246.A N ASP 243.A O no hydrogen 3.163 N/A ARG 247.A N PRO 244.A O no hydrogen 3.419 N/A ARG 247.A NE GLN 241.A O no hydrogen 3.157 N/A ARG 247.A NH1 GLU 174.A OE1 no hydrogen 2.697 N/A ARG 247.A NH1 GLU 185.A O no hydrogen 2.938 N/A ARG 247.A NH2 GLN 241.A O no hydrogen 3.215 N/A ARG 247.A NH2 VAL 242.A O no hydrogen 3.554 N/A ALA 248.A N HIS 238.A O no hydrogen 3.017 N/A SER 249.A N ASP 252.A OD2 no hydrogen 2.907 N/A SER 249.A OG ASP 252.A OD2 no hydrogen 3.373 N/A ILE 253.A N SER 249.A O no hydrogen 3.194 N/A ARG 254.A N ILE 250.A O no hydrogen 3.258 N/A GLU 255.A N LYS 251.A O no hydrogen 2.963 N/A HIS 256.A N ILE 253.A O no hydrogen 3.300 N/A HIS 256.A NE2 SER 234.A OG no hydrogen 3.307 N/A LYS 260.A N HIS 256.A O no hydrogen 3.391 N/A LYS 260.A N GLU 257.A O no hydrogen 2.878 N/A LYS 260.A NZ GLU 255.A O no hydrogen 3.296 N/A LYS 265.A NZ ASP 271.A OD1 no hydrogen 2.946 N/A TYR 266.A OH HIS 67.A NE2 no hydrogen 2.930 N/A GLU 270.A N PHE 268.A O no hydrogen 2.876 N/A ALA 279.A N ASP 277.A OD2 no hydrogen 3.218 N/A LEU 280.A N ASP 277.A O no hydrogen 3.040 N/A LYS 281.A N GLU 278.A O no hydrogen 3.106 N/A GLU 282.A N LEU 280.A O no hydrogen 2.945 N/A PHE 287.A N VAL 283.A O no hydrogen 2.921 N/A VAL 294.A N SER 290.A O no hydrogen 3.100 N/A SER 296.A OG GLU 293.A O no hydrogen 3.295 N/A LEU 298.A N VAL 294.A O no hydrogen 2.955 N/A LEU 298.A N LEU 295.A O no hydrogen 3.219 N/A ASN 300.A N SER 296.A O no hydrogen 3.413 N/A ASN 302.A N ASN 302.A OD1 no hydrogen 2.322 N/A VAL 309.A N ASP 305.A O no hydrogen 2.713 N/A TYR 311.A N ALA 308.A O no hydrogen 3.053 N/A HIS 312.A N ALA 308.A O no hydrogen 3.224 N/A HIS 312.A ND1 HIS 312.A O no hydrogen 2.875 N/A ILE 314.A N TYR 311.A O no hydrogen 3.072 N/A ILE 315.A N HIS 312.A O no hydrogen 3.187 N/A ASN 317.A N LEU 313.A O no hydrogen 3.127 N/A ARG 318.A N ILE 314.A O no hydrogen 3.175 N/A ARG 319.A N ILE 315.A O no hydrogen 3.287 N/A ARG 319.A N ASP 316.A O no hydrogen 3.244 N/A ILE 320.A N ASP 316.A O no hydrogen 3.196 N/A MET 321.A N ASN 317.A O no hydrogen 3.200 N/A GLU 323.A N ARG 319.A O no hydrogen 3.364 N/A PHE 327.A N ALA 324.A O no hydrogen 3.171 N/A LEU 329.A N LYS 325.A O no hydrogen 3.086 N/A THR 331.A OG1 ASP 326.A OD1 no hydrogen 2.555 N/A GLU 345.A N HIS 343.A ND1 no hydrogen 3.196 N/A ARG 346.A N HIS 343.A O no hydrogen 2.623 N/A ALA 352.A N PRO 348.A O no hydrogen 3.363 N/A GLU 353.A N PHE 349.A O no hydrogen 3.081 N/A THR 354.A N LEU 350.A O no hydrogen 3.219 N/A THR 354.A OG1 LEU 350.A O no hydrogen 2.972 N/A ARG 356.A NH1 GLU 353.A OE1 no hydrogen 3.543 N/A SER 366.A N TYR 423.A O no hydrogen 3.451 N/A ARG 369.A N SER 368.A OG no hydrogen 2.604 N/A ILE 373.A N ARG 369.A O no hydrogen 2.716 N/A GLU 376.A N ASP 372.A O no hydrogen 3.095 N/A VAL 377.A N ILE 373.A O no hydrogen 2.795 N/A CYS 378.A N MET 374.A O no hydrogen 2.708 N/A ARG 379.A N ALA 375.A O no hydrogen 3.262 N/A ILE 381.A N VAL 377.A O no hydrogen 2.952 N/A LYS 382.A N ARG 379.A O no hydrogen 3.260 N/A GLN 383.A N ARG 379.A O no hydrogen 3.020 N/A ASP 385.A N LYS 382.A O no hydrogen 2.789 N/A GLU 387.A N ARG 399.A O no hydrogen 3.111 N/A LYS 389.A N ARG 397.A O no hydrogen 2.917 N/A VAL 391.A N TYR 395.A O no hydrogen 3.010 N/A TYR 394.A OH ASN 371.A OD1 no hydrogen 3.106 N/A TYR 395.A N ASN 392.A O no hydrogen 2.771 N/A LEU 396.A N LEU 413.A O no hydrogen 2.935 N/A ARG 397.A N LYS 389.A O no hydrogen 2.824 N/A VAL 398.A N MET 411.A O no hydrogen 2.925 N/A ARG 399.A N GLU 387.A O no hydrogen 3.042 N/A ARG 400.A N SER 409.A O no hydrogen 3.076 N/A ASN 402.A N THR 407.A O no hydrogen 3.046 N/A ASN 402.A ND2 THR 407.A OG1 no hydrogen 2.968 N/A SER 409.A OG GLU 444.A OE2 no hydrogen 3.520 N/A MET 411.A N VAL 398.A O no hydrogen 2.888 N/A SER 412.A N ARG 428.A O no hydrogen 2.986 N/A LEU 413.A N LEU 396.A O no hydrogen 2.987 N/A LEU 415.A N TYR 394.A O no hydrogen 3.054 N/A TYR 416.A N LEU 424.A O no hydrogen 2.705 N/A GLN 417.A NE2 ASP 419.A O no hydrogen 3.495 N/A ASP 419.A N THR 422.A O no hydrogen 3.371 N/A THR 422.A N ASP 419.A O no hydrogen 3.339 N/A TYR 423.A N SER 366.A O no hydrogen 3.321 N/A LEU 424.A N TYR 416.A O no hydrogen 3.053 N/A LEU 425.A N ILE 364.A O no hydrogen 3.157 N/A ASP 426.A N GLN 414.A O no hydrogen 2.982 N/A ARG 428.A N SER 412.A O no hydrogen 3.070 N/A ARG 428.A NH2 TYR 395.A OH no hydrogen 3.230 N/A GLY 433.A N ASP 432.A OD1 no hydrogen 2.704 N/A HIS 441.A NE2 ILE 430.A O no hydrogen 2.725 N/A GLU 444.A N SER 440.A O no hydrogen 3.005 N/A PHE 445.A N HIS 441.A O no hydrogen 3.378 N/A GLU 447.A N ILE 443.A O no hydrogen 2.896 N/A MET 448.A N GLU 444.A O no hydrogen 3.049 N/A CYS 449.A N PHE 445.A O no hydrogen 3.072 N/A CYS 449.A SG PHE 445.A O no hydrogen 3.039 N/A ALA 450.A N PHE 446.A O no hydrogen 2.722 N/A ASN 451.A N GLU 447.A O no hydrogen 3.039 N/A ASN 451.A ND2 TYR 386.A OH no hydrogen 3.283 N/A LEU 452.A N MET 448.A O no hydrogen 3.378 N/A ILE 453.A N CYS 449.A O no hydrogen 2.761 N/A LYS 454.A N ALA 450.A O no hydrogen 2.989 N/A ILE 455.A N LEU 452.A O no hydrogen 3.153 N/A LEU 456.A N LEU 452.A O no hydrogen 3.261 N/A ALA 457.A N ILE 453.A O no hydrogen 2.945 N/A GLN 458.A N LYS 454.A O no hydrogen 3.074 N/A