Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1r0a_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG ILE 2.A O no hydrogen 3.370 N/A SER 3.A OG SER 117.A O no hydrogen 3.174 N/A THR 7.A N GLU 6.A OE1 no hydrogen 2.938 N/A VAL 10.A N ASP 121.A OD2 no hydrogen 3.256 N/A LYS 13.A N ARG 83.A O no hydrogen 2.741 N/A MET 16.A N LYS 13.A O no hydrogen 3.061 N/A LYS 20.A NZ ASP 17.A OD2 no hydrogen 3.435 N/A VAL 21.A N ASN 57.A O no hydrogen 3.169 N/A GLN 23.A NE2 TRP 24.A O no hydrogen 2.903 N/A GLN 23.A NE2 VAL 60.A O no hydrogen 2.748 N/A LYS 30.A N THR 27.A O no hydrogen 2.831 N/A LYS 30.A NZ THR 403.A OG1 no hydrogen 3.091 N/A LYS 30.A NZ GLU 404.A OE2 no hydrogen 3.206 N/A ILE 31.A N THR 27.A O no hydrogen 3.058 N/A LYS 32.A N GLU 28.A O no hydrogen 2.820 N/A ALA 33.A N GLU 29.A O no hydrogen 3.251 N/A LEU 34.A N LYS 30.A O no hydrogen 2.625 N/A VAL 35.A N ILE 31.A O no hydrogen 2.524 N/A GLU 36.A N LYS 32.A O no hydrogen 3.015 N/A ILE 37.A N ALA 33.A O no hydrogen 2.953 N/A CYS 38.A N LEU 34.A O no hydrogen 2.953 N/A CYS 38.A SG LEU 34.A O no hydrogen 3.257 N/A THR 39.A N VAL 35.A O no hydrogen 2.792 N/A THR 39.A OG1 VAL 35.A O no hydrogen 3.141 N/A GLU 40.A N GLU 36.A O no hydrogen 3.279 N/A MET 41.A N ILE 37.A O no hydrogen 3.113 N/A GLU 42.A N CYS 38.A O no hydrogen 2.931 N/A LYS 43.A N THR 39.A O no hydrogen 3.092 N/A GLU 44.A N GLU 40.A O no hydrogen 3.243 N/A GLY 45.A N GLU 42.A O no hydrogen 2.702 N/A LYS 46.A N MET 41.A O no hydrogen 2.775 N/A LYS 46.A NZ PHE 116.A O no hydrogen 2.450 N/A SER 48.A N GLN 145.A O no hydrogen 2.927 N/A ILE 50.A N ARG 143.A O no hydrogen 3.300 N/A GLY 51.A N GLU 53.A OE2 no hydrogen 2.719 N/A ASN 54.A N GLY 51.A O no hydrogen 3.419 N/A ASN 54.A ND2 LYS 126.A O no hydrogen 3.007 N/A ASN 54.A ND2 GLN 145.A OE1 no hydrogen 2.862 N/A TYR 56.A N ASN 54.A OD1 no hydrogen 2.977 N/A TYR 56.A OH ASP 17.A OD1 no hydrogen 2.700 N/A TYR 56.A OH ASP 17.A OD2 no hydrogen 3.105 N/A ASN 57.A N PRO 19.A O no hydrogen 2.856 N/A ASN 57.A ND2 VAL 21.A O no hydrogen 2.965 N/A VAL 60.A N GLN 23.A OE1 no hydrogen 2.605 N/A PHE 61.A N LEU 74.A O no hydrogen 2.874 N/A ILE 63.A N ARG 72.A O no hydrogen 3.039 N/A LYS 65.A NZ ASP 67.A OD1 no hydrogen 3.448 N/A LYS 66.A N GLN 407.A OE1 no hydrogen 2.549 N/A THR 69.A N LYS 65.A O no hydrogen 2.612 N/A ARG 72.A N ILE 63.A O no hydrogen 3.037 N/A ARG 72.A NE ASP 110.A OD2 no hydrogen 2.999 N/A ARG 72.A NH1 LYS 73.A O no hydrogen 3.093 N/A ARG 72.A NH2 ASP 110.A OD1 no hydrogen 2.903 N/A ARG 72.A NH2 ASP 110.A OD2 no hydrogen 3.538 N/A ARG 72.A NH2 ASP 185.A OD2 no hydrogen 3.061 N/A LYS 73.A NZ TYR 146.A OH no hydrogen 2.662 N/A LEU 74.A N PHE 61.A O no hydrogen 2.704 N/A ASP 76.A N PRO 59.A O no hydrogen 2.996 N/A ARG 78.A N ASP 76.A OD1 no hydrogen 3.349 N/A ARG 78.A NE ASP 76.A OD1 no hydrogen 2.816 N/A ARG 78.A NH1 PRO 412.A O no hydrogen 3.086 N/A ARG 78.A NH2 ASP 76.A OD2 no hydrogen 2.732 N/A ASN 81.A N PHE 77.A O no hydrogen 2.778 N/A ASN 81.A ND2 GLY 152.A O no hydrogen 3.238 N/A LYS 82.A N ARG 78.A O no hydrogen 3.004 N/A LYS 82.A NZ ARG 78.A O no hydrogen 3.541 N/A LYS 82.A NZ GLU 79.A OE2 no hydrogen 2.927 N/A ARG 83.A N GLU 79.A O no hydrogen 2.781 N/A ARG 83.A NE ASP 17.A O no hydrogen 2.838 N/A THR 84.A N ASN 81.A O no hydrogen 3.302 N/A THR 84.A OG1 LEU 80.A O no hydrogen 3.263 N/A TRP 88.A NE1 ASN 81.A O no hydrogen 3.030 N/A GLN 91.A N ASP 86.A O no hydrogen 3.050 N/A LEU 92.A N PHE 87.A O no hydrogen 3.016 N/A LEU 100.A N PRO 97.A O no hydrogen 3.091 N/A LYS 101.A N ALA 98.A O no hydrogen 3.355 N/A LYS 101.A NZ ALA 98.A O no hydrogen 3.355 N/A LYS 101.A NZ ILE 382.A O no hydrogen 3.250 N/A LYS 102.A N GLY 99.A O no hydrogen 3.021 N/A LYS 103.A N LEU 100.A O no hydrogen 3.494 N/A LYS 103.A NZ GLY 99.A O no hydrogen 3.283 N/A LYS 104.A N ASP 192.A OD1 no hydrogen 3.138 N/A SER 105.A N SER 191.A O no hydrogen 3.188 N/A VAL 106.A N LEU 234.A O no hydrogen 2.771 N/A THR 107.A N VAL 189.A O no hydrogen 2.563 N/A THR 107.A OG1 HIS 198.A NE2 no hydrogen 2.758 N/A THR 107.A OG1 GLU 233.A OE1 no hydrogen 3.365 N/A LEU 109.A N LEU 187.A O no hydrogen 2.948 N/A VAL 111.A N ASP 185.A O no hydrogen 2.691 N/A GLY 112.A N ASP 110.A OD1 no hydrogen 3.340 N/A TYR 115.A N GLY 112.A O no hydrogen 2.700 N/A TYR 115.A OH MET 184.A O no hydrogen 2.816 N/A PHE 116.A N ASP 113.A O no hydrogen 2.786 N/A SER 117.A OG ALA 114.A O no hydrogen 2.552 N/A VAL 118.A N TYR 115.A O no hydrogen 3.193 N/A LEU 120.A N ASN 147.A O no hydrogen 2.391 N/A ASP 123.A N ASP 121.A OD1 no hydrogen 3.489 N/A ARG 125.A NE LEU 120.A O no hydrogen 2.823 N/A ARG 125.A NH2 LEU 120.A O no hydrogen 2.972 N/A TYR 127.A N PHE 124.A O no hydrogen 3.179 N/A THR 128.A N ARG 125.A O no hydrogen 3.090 N/A THR 128.A OG1 ARG 125.A O no hydrogen 3.008 N/A PHE 130.A N TYR 144.A O no hydrogen 3.016 N/A THR 131.A OG1 ASN 57.A OD1 no hydrogen 2.732 N/A ILE 132.A N ILE 142.A O no hydrogen 2.875 N/A SER 134.A OG THR 139.A O no hydrogen 2.929 N/A ASN 137.A N SER 134.A O no hydrogen 2.578 N/A THR 139.A N SER 134.A OG no hydrogen 3.228 N/A THR 139.A OG1 PRO 140.A O no hydrogen 3.056 N/A ILE 142.A N ILE 132.A O no hydrogen 3.197 N/A ARG 143.A NE THR 131.A OG1 no hydrogen 3.138 N/A ARG 143.A NH1 GLY 51.A O no hydrogen 3.160 N/A ARG 143.A NH1 ASN 54.A O no hydrogen 2.500 N/A ARG 143.A NH2 TYR 56.A O no hydrogen 2.374 N/A ARG 143.A NH2 ASN 57.A OD1 no hydrogen 2.894 N/A TYR 144.A N PHE 130.A O no hydrogen 3.078 N/A GLN 145.A N SER 48.A O no hydrogen 3.239 N/A TYR 146.A N THR 128.A OG1 no hydrogen 2.983 N/A ASN 147.A N LYS 46.A O no hydrogen 2.892 N/A ASN 147.A ND2 GLY 45.A O no hydrogen 3.676 N/A ASN 147.A ND2 SER 48.A OG no hydrogen 2.680 N/A LEU 149.A N VAL 118.A O no hydrogen 3.017 N/A GLY 152.A N ASP 185.A OD1 no hydrogen 2.914 N/A LYS 154.A N ASN 81.A OD1 no hydrogen 2.573 N/A SER 156.A N TRP 153.A O no hydrogen 3.180 N/A SER 156.A OG PRO 150.A O no hydrogen 2.581 N/A SER 156.A OG TRP 153.A O no hydrogen 3.292 N/A ILE 159.A N GLY 155.A O no hydrogen 2.908 N/A PHE 160.A N SER 156.A O no hydrogen 2.775 N/A MET 164.A N PHE 160.A O no hydrogen 2.780 N/A THR 165.A N GLN 161.A O no hydrogen 2.847 N/A THR 165.A OG1 GLN 161.A O no hydrogen 3.411 N/A LYS 166.A N SER 162.A O no hydrogen 3.116 N/A ILE 167.A N SER 163.A O no hydrogen 2.827 N/A LEU 168.A N MET 164.A O no hydrogen 2.940 N/A LEU 168.A N THR 165.A O no hydrogen 3.186 N/A GLU 169.A N LYS 166.A O no hydrogen 2.839 N/A LYS 172.A N LEU 168.A O no hydrogen 2.920 N/A LYS 173.A N GLU 169.A O no hydrogen 3.139 N/A LYS 173.A N PRO 170.A O no hydrogen 2.847 N/A GLN 174.A N PRO 170.A O no hydrogen 3.246 N/A ASN 175.A ND2 PHE 171.A O no hydrogen 3.372 N/A ILE 178.A N ASN 175.A O no hydrogen 2.683 N/A VAL 179.A N GLY 190.A O no hydrogen 2.879 N/A TYR 181.A N TYR 188.A O no hydrogen 2.918 N/A TYR 183.A N ASP 186.A O no hydrogen 3.065 N/A ASP 186.A N TYR 183.A O no hydrogen 3.104 N/A LEU 187.A N LEU 109.A O no hydrogen 2.780 N/A TYR 188.A N TYR 181.A O no hydrogen 2.653 N/A VAL 189.A N THR 107.A O no hydrogen 2.712 N/A GLY 190.A N VAL 179.A O no hydrogen 2.766 N/A SER 191.A N SER 105.A O no hydrogen 2.815 N/A SER 191.A OG HIS 198.A ND1 no hydrogen 2.342 N/A LEU 193.A N SER 191.A OG no hydrogen 3.388 N/A GLY 196.A N GLU 194.A OE2 no hydrogen 2.681 N/A HIS 198.A N GLU 194.A O no hydrogen 2.817 N/A HIS 198.A ND1 SER 191.A OG no hydrogen 2.342 N/A HIS 198.A NE2 THR 107.A OG1 no hydrogen 2.758 N/A ARG 199.A N ILE 195.A O no hydrogen 2.691 N/A THR 200.A N GLY 196.A O no hydrogen 3.223 N/A THR 200.A OG1 GLY 196.A O no hydrogen 3.429 N/A LYS 201.A N GLN 197.A O no hydrogen 2.934 N/A LYS 201.A NZ ASN 175.A OD1 no hydrogen 2.685 N/A LYS 201.A NZ GLU 204.A OE1 no hydrogen 3.097 N/A ILE 202.A N HIS 198.A O no hydrogen 2.964 N/A GLU 203.A N ARG 199.A O no hydrogen 3.468 N/A GLU 204.A N THR 200.A O no hydrogen 2.921 N/A LEU 205.A N LYS 201.A O no hydrogen 2.836 N/A ARG 206.A N ILE 202.A O no hydrogen 2.720 N/A ARG 206.A NE GLU 203.A OE1 no hydrogen 3.309 N/A ARG 206.A NH1 THR 216.A OG1 no hydrogen 2.969 N/A ARG 206.A NH2 GLU 203.A OE1 no hydrogen 3.396 N/A ARG 206.A NH2 ASP 218.A OD1 no hydrogen 2.661 N/A GLN 207.A N GLU 203.A O no hydrogen 2.975 N/A HIS 208.A N GLU 204.A O no hydrogen 3.074 N/A HIS 208.A NE2 ILE 167.A O no hydrogen 2.454 N/A LEU 209.A N LEU 205.A O no hydrogen 2.938 N/A LEU 210.A N ARG 206.A O no hydrogen 3.163 N/A ARG 211.A N GLN 207.A O no hydrogen 2.804 N/A GLY 213.A N LEU 210.A O no hydrogen 2.969 N/A LYS 220.A N ASP 67.A O no hydrogen 3.243 N/A LYS 223.A N GLN 222.A OE1 no hydrogen 2.890 N/A LYS 223.A NZ HIS 221.A O no hydrogen 3.284 N/A LEU 228.A N PRO 226.A O no hydrogen 2.656 N/A TRP 229.A NE1 GLN 222.A O no hydrogen 3.035 N/A MET 230.A N PHE 227.A O no hydrogen 2.891 N/A GLY 231.A N LEU 228.A O no hydrogen 2.794 N/A TYR 232.A N TRP 229.A O no hydrogen 3.314 N/A TYR 232.A OH LYS 220.A O no hydrogen 2.751 N/A LEU 234.A N VAL 106.A O no hydrogen 2.733 N/A ASP 237.A N HIS 235.A O no hydrogen 2.483 N/A LYS 238.A N HIS 235.A O no hydrogen 3.047 N/A GLN 242.A N THR 351.A O no hydrogen 3.054 N/A SER 251.A N ASP 250.A OD1 no hydrogen 2.959 N/A THR 253.A N ASP 256.A OD2 no hydrogen 3.302 N/A ASN 255.A N LEU 289.A O no hydrogen 2.942 N/A ILE 257.A N THR 253.A O no hydrogen 3.212 N/A GLN 258.A N VAL 254.A O no hydrogen 2.863 N/A LYS 259.A N ASN 255.A O no hydrogen 2.991 N/A LEU 260.A N ASP 256.A O no hydrogen 2.742 N/A VAL 261.A N GLN 258.A O no hydrogen 2.495 N/A GLY 262.A N GLN 258.A O no hydrogen 2.999 N/A LYS 263.A N LYS 259.A O no hydrogen 3.151 N/A LYS 263.A NZ VAL 245.A O no hydrogen 3.068 N/A LYS 263.A NZ LYS 424.A O no hydrogen 3.378 N/A LEU 264.A N LEU 260.A O no hydrogen 3.180 N/A ASN 265.A N VAL 261.A O no hydrogen 2.743 N/A TRP 266.A N GLY 262.A O no hydrogen 2.662 N/A ALA 267.A N LYS 263.A O no hydrogen 2.830 N/A SER 268.A N LEU 264.A O no hydrogen 3.230 N/A SER 268.A N ASN 265.A O no hydrogen 2.771 N/A SER 268.A OG ASN 265.A O no hydrogen 2.319 N/A GLN 269.A N TRP 266.A O no hydrogen 2.848 N/A GLN 269.A NE2 TRP 266.A O no hydrogen 3.087 N/A ILE 270.A N ALA 267.A O no hydrogen 2.832 N/A TYR 271.A N ALA 267.A O no hydrogen 2.927 N/A LYS 275.A N ASN 306.A OD1 no hydrogen 3.206 N/A SER 280.A N VAL 276.A O no hydrogen 2.894 N/A SER 280.A N ARG 277.A O no hydrogen 2.842 N/A SER 280.A OG VAL 276.A O no hydrogen 2.442 N/A SER 280.A OG ARG 277.A O no hydrogen 2.907 N/A LYS 281.A N ARG 277.A O no hydrogen 3.068 N/A LEU 283.A N SER 280.A O no hydrogen 2.437 N/A THR 286.A OG1 THR 286.A O no hydrogen 2.432 N/A LYS 287.A N GLY 285.A O no hydrogen 2.486 N/A LYS 287.A NZ GLY 285.A O no hydrogen 2.645 N/A GLU 291.A N ALA 288.A O no hydrogen 3.284 N/A ILE 293.A N GLU 291.A O no hydrogen 2.393 N/A GLU 300.A N THR 296.A O no hydrogen 2.884 N/A GLU 302.A N ALA 299.A O no hydrogen 2.418 N/A LEU 303.A N ALA 299.A O no hydrogen 3.258 N/A ALA 304.A N GLU 300.A O no hydrogen 3.257 N/A GLU 305.A N GLU 302.A O no hydrogen 2.749 N/A ASN 306.A N GLU 302.A O no hydrogen 2.611 N/A ASN 306.A ND2 LYS 275.A O no hydrogen 2.941 N/A ARG 307.A N LEU 303.A O no hydrogen 3.410 N/A ARG 307.A NH1 LEU 246.A O no hydrogen 2.708 N/A ARG 307.A NH2 LEU 246.A O no hydrogen 3.507 N/A ARG 307.A NH2 PRO 247.A O no hydrogen 2.760 N/A GLU 308.A N GLU 305.A O no hydrogen 2.555 N/A ILE 309.A N ASN 306.A O no hydrogen 2.450 N/A LEU 310.A N ASN 306.A O no hydrogen 2.984 N/A ASP 320.A N GLN 343.A OE1 no hydrogen 2.860 N/A SER 322.A N ASP 320.A OD1 no hydrogen 3.425 N/A SER 322.A OG ASP 320.A OD1 no hydrogen 3.175 N/A LYS 323.A N ASP 320.A O no hydrogen 3.298 N/A LYS 323.A NZ TYR 318.A OH no hydrogen 3.385 N/A LYS 323.A NZ GLU 344.A OE1 no hydrogen 2.601 N/A ILE 326.A N TYR 342.A O no hydrogen 2.909 N/A ALA 327.A N LYS 388.A O no hydrogen 2.966 N/A GLU 328.A N GLN 340.A O no hydrogen 3.073 N/A GLN 330.A N THR 338.A O no hydrogen 3.087 N/A LYS 331.A NZ ASP 364.A OD2 no hydrogen 3.361 N/A GLN 336.A N GLY 333.A O no hydrogen 3.063 N/A TRP 337.A NE1 GLN 367.A OE1 no hydrogen 2.759 N/A THR 338.A N GLN 330.A O no hydrogen 3.226 N/A THR 338.A OG1 GLN 332.A OE1 no hydrogen 2.795 N/A TYR 339.A N GLY 352.A O no hydrogen 2.850 N/A GLN 340.A N GLU 328.A O no hydrogen 3.195 N/A ILE 341.A N LYS 350.A O no hydrogen 2.791 N/A TYR 342.A N ILE 326.A O no hydrogen 3.001 N/A TYR 342.A OH GLU 328.A OE2 no hydrogen 2.547 N/A GLN 343.A NE2 ASP 320.A O no hydrogen 2.414 N/A GLN 343.A NE2 LYS 323.A O no hydrogen 3.461 N/A GLN 343.A NE2 ASP 324.A O no hydrogen 3.325 N/A LEU 349.A N ILE 341.A O no hydrogen 2.661 N/A LYS 350.A N ILE 341.A O no hydrogen 3.105 N/A THR 351.A OG1 GLN 242.A O no hydrogen 3.408 N/A GLY 352.A N TYR 339.A O no hydrogen 2.911 N/A TYR 354.A OH GLU 370.A OE1 no hydrogen 3.300 N/A THR 362.A OG1 HIS 361.A O no hydrogen 2.499 N/A ASN 363.A N ALA 360.A O no hydrogen 2.960 N/A GLN 367.A N ASN 363.A O no hydrogen 3.089 N/A LEU 368.A N ASP 364.A O no hydrogen 2.789 N/A THR 369.A N VAL 365.A O no hydrogen 2.993 N/A THR 369.A OG1 LYS 366.A O no hydrogen 2.874 N/A GLU 370.A N LYS 366.A O no hydrogen 3.090 N/A ALA 371.A N GLN 367.A O no hydrogen 2.780 N/A VAL 372.A N LEU 368.A O no hydrogen 2.699 N/A GLN 373.A N THR 369.A O no hydrogen 3.007 N/A GLN 373.A NE2 THR 369.A O no hydrogen 3.658 N/A GLN 373.A NE2 TYR 405.A O no hydrogen 3.081 N/A LYS 374.A N GLU 370.A O no hydrogen 2.991 N/A ILE 375.A N ALA 371.A O no hydrogen 2.866 N/A THR 376.A N VAL 372.A O no hydrogen 3.052 N/A THR 376.A OG1 VAL 372.A O no hydrogen 2.472 N/A THR 377.A N GLN 373.A O no hydrogen 2.790 N/A THR 377.A OG1 GLN 373.A O no hydrogen 2.863 N/A GLU 378.A N LYS 374.A O no hydrogen 2.924 N/A SER 379.A N ILE 375.A O no hydrogen 2.938 N/A SER 379.A OG ILE 375.A O no hydrogen 2.980 N/A ILE 380.A N THR 376.A O no hydrogen 2.975 N/A VAL 381.A N THR 377.A O no hydrogen 3.014 N/A ILE 382.A N GLU 378.A O no hydrogen 2.811 N/A TRP 383.A N SER 379.A O no hydrogen 2.810 N/A GLY 384.A N SER 379.A O no hydrogen 2.976 N/A LYS 385.A NZ LYS 323.A O no hydrogen 2.939 N/A LYS 388.A N LEU 325.A O no hydrogen 2.583 N/A LYS 388.A NZ GLU 415.A OE1 no hydrogen 3.459 N/A LYS 388.A NZ GLU 415.A OE2 no hydrogen 3.296 N/A PHE 389.A N GLU 413.A O no hydrogen 2.557 N/A LYS 390.A N ALA 327.A O no hydrogen 2.893 N/A LYS 390.A NZ GLU 415.A OE1 no hydrogen 3.088 N/A LEU 391.A N GLU 415.A O no hydrogen 2.794 N/A ILE 393.A N LEU 391.A O no hydrogen 2.664 N/A THR 397.A N GLN 394.A O no hydrogen 2.605 N/A TRP 398.A N GLN 394.A O no hydrogen 3.185 N/A GLU 399.A N LYS 395.A O no hydrogen 2.952 N/A THR 400.A N THR 397.A O no hydrogen 3.177 N/A THR 400.A OG1 GLU 396.A O no hydrogen 2.895 N/A TRP 401.A N TRP 398.A O no hydrogen 3.210 N/A TRP 402.A N TRP 398.A O no hydrogen 3.026 N/A TYR 405.A N TRP 402.A O no hydrogen 3.059 N/A TRP 406.A N THR 403.A O no hydrogen 3.001 N/A TRP 406.A NE1 TRP 410.A O no hydrogen 2.925 N/A GLN 407.A N GLN 373.A OE1 no hydrogen 3.153 N/A THR 409.A OG1 ASP 186.A OD1 no hydrogen 3.263 N/A THR 409.A OG1 ASP 186.A OD2 no hydrogen 3.332 N/A GLU 415.A N PHE 389.A O no hydrogen 2.722 N/A VAL 417.A N LEU 391.A O no hydrogen 3.142 N/A THR 419.A OG1 PRO 420.A O no hydrogen 3.197 N/A LEU 422.A N PRO 420.A O no hydrogen 2.676 N/A TYR 427.A N LYS 424.A O no hydrogen 3.028 N/A