Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r3i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 6.A N GLN 3.A O no hydrogen 2.794 N/A LEU 7.A N GLN 3.A O no hydrogen 2.984 N/A SER 8.A OG LEU 5.A O no hydrogen 3.203 N/A LEU 17.A N LEU 13.A O no hydrogen 3.077 N/A THR 19.A OG1 LYS 15.A O no hydrogen 2.771 N/A SER 22.A N ALA 20.A O no hydrogen 2.986 N/A HIS 23.A N SER 22.A OG no hydrogen 2.780 N/A GLU 24.A N SER 21.A O no hydrogen 3.082 N/A PHE 25.A N HIS 23.A O no hydrogen 2.509 N/A THR 28.A N PHE 25.A O no hydrogen 3.262 N/A THR 28.A OG1 GLU 24.A O no hydrogen 2.614 N/A LYS 29.A N PHE 25.A O no hydrogen 3.006 N/A LYS 30.A N GLU 26.A O no hydrogen 3.289 N/A LEU 32.A N THR 28.A O no hydrogen 3.291 N/A ASP 33.A N LYS 29.A O no hydrogen 3.183 N/A GLY 34.A N LYS 30.A O no hydrogen 3.311 N/A PHE 35.A N LEU 32.A O no hydrogen 3.106 N/A ARG 36.A N LEU 32.A O no hydrogen 3.028 N/A LYS 37.A N ASP 33.A O no hydrogen 3.023 N/A LEU 38.A N PHE 35.A O no hydrogen 3.152 N/A PHE 39.A N PHE 35.A O no hydrogen 2.978 N/A HIS 40.A N ARG 36.A O no hydrogen 3.002 N/A PHE 42.A N PHE 39.A O no hydrogen 3.185 N/A LEU 43.A N HIS 40.A O no hydrogen 3.280 N/A GLU 45.A N ARG 41.A O no hydrogen 3.230 N/A LYS 47.A NZ GLU 274.A OE1 no hydrogen 2.730 N/A GLN 57.A N GLY 341.A O no hydrogen 3.336 N/A TYR 59.A OH ASP 217.A OD2 no hydrogen 2.491 N/A LYS 61.A N PRO 58.A O no hydrogen 3.149 N/A ILE 62.A N TYR 59.A O no hydrogen 2.696 N/A LYS 63.A N TYR 59.A O no hydrogen 2.906 N/A ASP 69.A N ASP 69.A OD1 no hydrogen 2.529 N/A SER 72.A OG TYR 123.A O no hydrogen 2.805 N/A LEU 78.A N LEU 75.A O no hydrogen 3.030 N/A VAL 79.A N TYR 203.A O no hydrogen 2.695 N/A VAL 81.A N PHE 205.A O no hydrogen 3.066 N/A LYS 82.A N VAL 130.A O no hydrogen 2.786 N/A LYS 82.A NZ SER 207.A OG no hydrogen 2.746 N/A LYS 82.A NZ ALA 214.A O no hydrogen 3.429 N/A LEU 83.A N SER 207.A O no hydrogen 2.907 N/A ASN 84.A N MET 132.A O no hydrogen 2.835 N/A GLY 88.A N GLY 95.A O no hydrogen 2.766 N/A GLY 92.A N THR 89.A O no hydrogen 2.934 N/A LYS 97.A N GLY 86.A O no hydrogen 3.057 N/A LYS 97.A NZ ASP 210.A OD1 no hydrogen 3.149 N/A LYS 97.A NZ VAL 352.A O no hydrogen 3.239 N/A SER 98.A OG ASN 84.A OD1 no hydrogen 2.020 N/A LEU 99.A N PRO 96.A O no hydrogen 3.278 N/A ILE 100.A N LYS 97.A O no hydrogen 3.156 N/A VAL 102.A N ASN 106.A O no hydrogen 2.760 N/A ARG 103.A N ASN 106.A O no hydrogen 3.317 N/A ARG 103.A NH2 VAL 361.A O no hydrogen 3.166 N/A ARG 103.A NH2 SER 363.A O no hydrogen 2.773 N/A ARG 103.A NH2 TYR 366.A O no hydrogen 2.894 N/A ASN 106.A N ARG 103.A O no hydrogen 2.660 N/A THR 107.A N ASP 110.A OD2 no hydrogen 2.818 N/A THR 107.A OG1 SER 98.A O no hydrogen 3.096 N/A THR 107.A OG1 ILE 100.A O no hydrogen 3.033 N/A LEU 111.A N THR 107.A O no hydrogen 2.970 N/A THR 112.A N PHE 108.A O no hydrogen 3.421 N/A THR 112.A OG1 PHE 108.A O no hydrogen 3.375 N/A THR 112.A OG1 LEU 109.A O no hydrogen 2.730 N/A VAL 113.A N LEU 109.A O no hydrogen 3.413 N/A GLN 114.A N ASP 110.A O no hydrogen 3.169 N/A GLN 115.A N THR 112.A O no hydrogen 2.577 N/A ILE 116.A N THR 112.A O no hydrogen 3.301 N/A GLU 117.A N VAL 113.A O no hydrogen 2.880 N/A HIS 118.A N GLN 114.A O no hydrogen 3.465 N/A LEU 119.A N GLN 115.A O no hydrogen 3.038 N/A ASN 120.A N ILE 116.A O no hydrogen 3.310 N/A ASN 120.A ND2 VAL 127.A O no hydrogen 3.468 N/A ASN 120.A ND2 ARG 152.A O no hydrogen 3.192 N/A LYS 121.A N GLU 117.A O no hydrogen 2.730 N/A THR 122.A N LEU 119.A O no hydrogen 3.011 N/A THR 122.A OG1 HIS 118.A O no hydrogen 2.574 N/A THR 122.A OG1 LEU 119.A O no hydrogen 2.859 N/A TYR 123.A N LEU 119.A O no hydrogen 2.853 N/A VAL 127.A N ASN 120.A OD1 no hydrogen 3.181 N/A LEU 129.A N LYS 154.A O no hydrogen 2.936 N/A VAL 130.A N VAL 80.A O no hydrogen 2.768 N/A LEU 131.A N TYR 156.A O no hydrogen 2.827 N/A MET 132.A N LYS 82.A O no hydrogen 3.180 N/A ASN 133.A N PHE 158.A O no hydrogen 3.171 N/A SER 134.A OG GLY 85.A O no hydrogen 3.218 N/A THR 137.A N SER 134.A O no hydrogen 2.776 N/A THR 137.A OG1 ASN 84.A O no hydrogen 2.585 N/A THR 137.A OG1 SER 134.A O no hydrogen 3.498 N/A ASP 138.A N SER 134.A O no hydrogen 2.969 N/A THR 141.A N THR 137.A O no hydrogen 3.091 N/A THR 141.A OG1 THR 137.A O no hydrogen 3.147 N/A THR 141.A OG1 ASP 138.A O no hydrogen 3.215 N/A LYS 142.A N ASP 138.A O no hydrogen 3.227 N/A LYS 142.A N GLU 139.A O no hydrogen 3.248 N/A LYS 142.A NZ ASP 138.A OD1 no hydrogen 3.102 N/A TYR 148.A N LEU 145.A O no hydrogen 2.634 N/A TYR 148.A OH ASP 110.A OD1 no hydrogen 2.208 N/A CYS 151.A N TYR 148.A O no hydrogen 3.301 N/A ARG 152.A N GLU 117.A OE1 no hydrogen 3.259 N/A VAL 153.A N CYS 151.A O no hydrogen 2.546 N/A TYR 156.A N LEU 129.A O no hydrogen 2.860 N/A PHE 158.A N LEU 131.A O no hydrogen 3.246 N/A GLN 160.A NE2 GLY 179.A O no hydrogen 2.752 N/A SER 161.A N ASP 182.A OD2 no hydrogen 2.989 N/A SER 161.A OG ASP 182.A OD1 no hydrogen 3.447 N/A SER 161.A OG ASP 182.A OD2 no hydrogen 2.604 N/A ARG 162.A N ASP 31.A OD2 no hydrogen 3.022 N/A TYR 163.A N TYR 176.A O no hydrogen 3.048 N/A ASN 167.A ND2 SER 170.A OG no hydrogen 2.811 N/A LYS 168.A N ASN 321.A O no hydrogen 2.825 N/A LEU 171.A N ASN 167.A O no hydrogen 2.541 N/A TYR 176.A N TYR 163.A O no hydrogen 3.026 N/A TYR 176.A OH LEU 325.A O no hydrogen 2.993 N/A HIS 180.A N THR 327.A O no hydrogen 3.426 N/A GLY 181.A N THR 327.A O no hydrogen 2.707 N/A TYR 184.A OH VAL 329.A O no hydrogen 3.423 N/A ALA 185.A N ASP 182.A O no hydrogen 3.274 N/A SER 186.A N ASP 182.A O no hydrogen 3.111 N/A SER 186.A OG ASP 182.A O no hydrogen 2.371 N/A SER 186.A OG ILE 183.A O no hydrogen 3.246 N/A PHE 187.A N ILE 183.A O no hydrogen 2.822 N/A ASN 189.A N ALA 185.A O no hydrogen 2.992 N/A SER 190.A N SER 186.A O no hydrogen 3.153 N/A SER 190.A OG PHE 187.A O no hydrogen 3.125 N/A GLY 191.A N TYR 188.A O no hydrogen 3.072 N/A LEU 192.A N SER 190.A OG no hydrogen 2.895 N/A LEU 193.A N PHE 187.A O no hydrogen 3.341 N/A THR 195.A N GLY 191.A O no hydrogen 3.300 N/A THR 195.A OG1 GLY 191.A O no hydrogen 3.448 N/A PHE 196.A N LEU 192.A O no hydrogen 3.125 N/A ILE 197.A N LEU 193.A O no hydrogen 3.365 N/A GLY 198.A N ASP 194.A O no hydrogen 2.977 N/A GLU 199.A N THR 195.A O no hydrogen 2.853 N/A GLY 200.A N ILE 197.A O no hydrogen 3.293 N/A LYS 201.A N PHE 196.A O no hydrogen 3.006 N/A LYS 201.A NZ ASP 126.A O no hydrogen 3.216 N/A GLU 202.A N LYS 77.A O no hydrogen 2.790 N/A TYR 203.A N LYS 77.A O no hydrogen 2.844 N/A TYR 203.A OH CYS 233.A O no hydrogen 3.016 N/A ILE 204.A N ILE 291.A O no hydrogen 3.012 N/A PHE 205.A N VAL 79.A O no hydrogen 2.689 N/A VAL 206.A N LEU 289.A O no hydrogen 2.800 N/A SER 207.A N VAL 81.A O no hydrogen 3.109 N/A ASN 211.A N ASN 208.A O no hydrogen 3.098 N/A ASN 211.A ND2 ARG 348.A O no hydrogen 3.134 N/A LEU 212.A N LEU 350.A O no hydrogen 3.418 N/A GLY 213.A N ASN 211.A OD1 no hydrogen 3.217 N/A ALA 214.A N ASN 211.A O no hydrogen 2.942 N/A TYR 219.A N ASP 217.A OD1 no hydrogen 2.925 N/A LEU 221.A N ASP 217.A O no hydrogen 3.218 N/A ASN 222.A N LEU 218.A O no hydrogen 2.836 N/A LEU 224.A N LEU 221.A O no hydrogen 2.938 N/A MET 225.A N LEU 221.A O no hydrogen 2.829 N/A ARG 232.A NE ASN 338.A O no hydrogen 2.715 N/A ARG 232.A NH1 LEU 340.A O no hydrogen 3.047 N/A ARG 232.A NH2 PHE 235.A O no hydrogen 2.449 N/A ARG 232.A NH2 ASN 338.A O no hydrogen 2.677 N/A CYS 233.A N TYR 203.A OH no hydrogen 3.473 N/A VAL 236.A N TRP 290.A O no hydrogen 2.970 N/A GLU 238.A N ASN 288.A O no hydrogen 3.246 N/A VAL 239.A N ILE 342.A O no hydrogen 3.081 N/A THR 240.A N PHE 284.A O no hydrogen 3.333 N/A THR 240.A OG1 VAL 344.A O no hydrogen 3.334 N/A LYS 242.A NZ PHE 281.A O no hydrogen 3.202 N/A THR 243.A OG1 ASP 246.A OD1 no hydrogen 3.226 N/A ASP 246.A N THR 243.A O no hydrogen 3.042 N/A THR 251.A N VAL 262.A O no hydrogen 3.354 N/A THR 253.A N ARG 260.A O no hydrogen 3.452 N/A ARG 260.A N THR 253.A O no hydrogen 2.891 N/A VAL 262.A N THR 251.A O no hydrogen 3.241 N/A GLN 266.A N GLU 263.A O no hydrogen 3.097 N/A HIS 271.A ND1 GLU 274.A OE2 no hydrogen 2.797 N/A VAL 272.A N LYS 269.A O no hydrogen 3.396 N/A ASN 285.A N GLY 250.A O no hydrogen 3.356 N/A LEU 289.A N VAL 206.A O no hydrogen 3.228 N/A ILE 291.A N ILE 204.A O no hydrogen 2.874 N/A SER 292.A N GLU 234.A O no hydrogen 3.488 N/A LEU 293.A N GLU 202.A O no hydrogen 2.455 N/A ALA 295.A N SER 292.A OG no hydrogen 3.022 N/A VAL 296.A N SER 292.A O no hydrogen 3.183 N/A LYS 297.A N LEU 293.A O no hydrogen 3.424 N/A ARG 298.A NH2 GLU 234.A OE1 no hydrogen 2.535 N/A LEU 299.A N ALA 295.A O no hydrogen 3.449 N/A GLN 300.A N VAL 296.A O no hydrogen 2.993 N/A GLU 301.A N LYS 297.A O no hydrogen 3.250 N/A ASN 303.A N GLN 300.A O no hydrogen 3.429 N/A ILE 310.A N GLU 326.A O no hydrogen 2.961 N/A ASN 312.A N GLN 324.A O no hydrogen 3.116 N/A LYS 314.A N VAL 322.A O no hydrogen 3.361 N/A VAL 322.A N LYS 314.A O no hydrogen 2.555 N/A ILE 323.A N ILE 166.A O no hydrogen 2.829 N/A GLN 324.A N ASN 312.A O no hydrogen 3.193 N/A GLU 326.A N ILE 310.A O no hydrogen 2.847 N/A VAL 329.A N HIS 180.A ND1 no hydrogen 3.458 N/A ALA 332.A N VAL 329.A O no hydrogen 3.331 N/A LYS 334.A NZ GLU 308.A OE2 no hydrogen 3.102 N/A PHE 336.A N ILE 333.A O no hydrogen 2.747 N/A SER 339.A OG ILE 333.A O no hydrogen 3.254 N/A SER 339.A OG PHE 336.A O no hydrogen 3.482 N/A ASN 343.A N GLN 57.A O no hydrogen 2.553 N/A VAL 344.A N VAL 239.A O no hydrogen 2.922 N/A ARG 346.A NH2 ASP 246.A OD2 no hydrogen 2.767 N/A ARG 348.A N PRO 345.A O no hydrogen 2.874 N/A PHE 349.A N ARG 346.A O no hydrogen 3.118 N/A LEU 350.A N ASN 211.A OD1 no hydrogen 2.754 N/A LYS 353.A N ASP 357.A OD2 no hydrogen 3.089 N/A THR 355.A OG1 PHE 393.A O no hydrogen 3.322 N/A ASP 357.A N THR 354.A O no hydrogen 3.035 N/A LEU 358.A N THR 354.A O no hydrogen 3.455 N/A LEU 359.A N THR 355.A O no hydrogen 3.420 N/A LEU 360.A N SER 356.A O no hydrogen 3.466 N/A VAL 361.A N ASP 357.A O no hydrogen 2.835 N/A MET 362.A N LEU 358.A O no hydrogen 2.786 N/A MET 362.A N LEU 359.A O no hydrogen 2.933 N/A SER 363.A N LEU 360.A O no hydrogen 3.362 N/A SER 363.A OG LEU 359.A O no hydrogen 3.336 N/A ASN 364.A ND2 ASP 408.A OD1 no hydrogen 2.800 N/A SER 367.A N THR 374.A O no hydrogen 3.052 N/A ASN 369.A N SER 372.A O no hydrogen 3.155 N/A THR 374.A N SER 367.A O no hydrogen 3.090 N/A THR 374.A OG1 SER 376.A OG no hydrogen 3.341 N/A SER 376.A OG THR 374.A OG1 no hydrogen 3.341 N/A ARG 379.A NE PHE 381.A O no hydrogen 3.173 N/A ARG 379.A NH1 LEU 410.A O no hydrogen 3.021 N/A ARG 379.A NH1 LEU 412.A O no hydrogen 3.323 N/A ARG 379.A NH2 LEU 412.A O no hydrogen 3.364 N/A LEU 386.A N ASP 413.A O no hydrogen 2.948 N/A LYS 388.A N LEU 415.A O no hydrogen 3.008 N/A LEU 389.A N SER 356.A OG no hydrogen 3.377 N/A SER 392.A OG GLY 419.A O no hydrogen 3.240 N/A PHE 393.A N GLY 390.A O no hydrogen 3.051 N/A VAL 396.A N MET 91.A O no hydrogen 3.118 N/A TYR 399.A N LYS 395.A O no hydrogen 3.080 N/A LEU 400.A N VAL 396.A O no hydrogen 2.816 N/A ARG 401.A N GLN 397.A O no hydrogen 2.980 N/A ARG 401.A NH2 ASP 398.A OD2 no hydrogen 3.361 N/A ARG 402.A N ASP 398.A O no hydrogen 2.895 N/A ARG 402.A NE VAL 421.A O no hydrogen 2.780 N/A PHE 403.A N TYR 399.A O no hydrogen 3.361 N/A ASP 408.A N VAL 427.A O no hydrogen 2.846 N/A MET 409.A N ASN 364.A OD1 no hydrogen 3.014 N/A LEU 412.A N MET 409.A O no hydrogen 2.675 N/A ASP 413.A N GLY 431.A O no hydrogen 3.103 N/A HIS 414.A N GLY 431.A O no hydrogen 3.223 N/A LEU 415.A N LEU 386.A O no hydrogen 3.157 N/A THR 416.A N VAL 433.A O no hydrogen 3.066 N/A VAL 417.A N LYS 388.A O no hydrogen 3.123 N/A SER 418.A N ILE 435.A O no hydrogen 3.235 N/A THR 422.A N ILE 443.A O no hydrogen 2.980 N/A THR 422.A OG1 ARG 402.A O no hydrogen 3.209 N/A PHE 423.A N ARG 402.A O no hydrogen 3.024 N/A SER 428.A N ALA 449.A O no hydrogen 2.929 N/A SER 428.A OG ASP 408.A OD2 no hydrogen 2.702 N/A LEU 429.A N ASP 408.A O no hydrogen 2.953 N/A LYS 430.A N LEU 451.A O no hydrogen 2.935 N/A THR 432.A OG1 ASN 453.A OD1 no hydrogen 3.293 N/A VAL 433.A N HIS 414.A O no hydrogen 2.907 N/A ILE 434.A N LYS 454.A O no hydrogen 3.103 N/A ILE 435.A N THR 416.A O no hydrogen 3.142 N/A ILE 436.A N VAL 456.A O no hydrogen 3.035 N/A ALA 437.A N SER 418.A O no hydrogen 2.874 N/A ASP 441.A N ASN 438.A O no hydrogen 2.581 N/A ILE 443.A N ASP 420.A O no hydrogen 3.300 N/A ILE 445.A N THR 422.A O no hydrogen 2.903 N/A GLY 448.A N LYS 425.A O no hydrogen 2.713 N/A ALA 449.A N PRO 446.A O no hydrogen 3.187 N/A ASN 453.A N LYS 430.A O no hydrogen 3.037 N/A VAL 456.A N ILE 434.A O no hydrogen 2.790 N/A