Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3isn_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG SER 117.A O no hydrogen 2.976 N/A VAL 10.A N ASP 121.A OD2 no hydrogen 2.885 N/A LYS 13.A N ARG 83.A O no hydrogen 3.048 N/A LYS 13.A NZ LYS 82.A O no hydrogen 2.813 N/A MET 16.A N LYS 13.A O no hydrogen 3.025 N/A VAL 21.A N ASN 57.A O no hydrogen 3.104 N/A GLN 23.A NE2 TRP 24.A O no hydrogen 2.708 N/A GLN 23.A NE2 VAL 60.A O no hydrogen 3.043 N/A LYS 30.A NZ ALA 62.A O no hydrogen 3.441 N/A ILE 31.A N THR 27.A O no hydrogen 3.064 N/A LYS 32.A N GLU 28.A O no hydrogen 2.846 N/A ALA 33.A N GLU 29.A O no hydrogen 2.922 N/A LEU 34.A N LYS 30.A O no hydrogen 3.076 N/A VAL 35.A N ILE 31.A O no hydrogen 2.902 N/A GLU 36.A N LYS 32.A O no hydrogen 3.169 N/A ILE 37.A N ALA 33.A O no hydrogen 2.871 N/A CYS 38.A N LEU 34.A O no hydrogen 2.768 N/A CYS 38.A SG LEU 34.A O no hydrogen 3.443 N/A THR 39.A N VAL 35.A O no hydrogen 3.050 N/A THR 39.A OG1 VAL 35.A O no hydrogen 2.989 N/A GLU 40.A N GLU 36.A O no hydrogen 3.284 N/A MET 41.A N ILE 37.A O no hydrogen 2.954 N/A GLU 42.A N CYS 38.A O no hydrogen 2.799 N/A LYS 43.A N THR 39.A O no hydrogen 3.243 N/A GLU 44.A N GLU 40.A O no hydrogen 3.251 N/A GLY 45.A N GLU 42.A O no hydrogen 2.759 N/A LYS 46.A N MET 41.A O no hydrogen 2.833 N/A LYS 46.A NZ GLU 44.A OE1 no hydrogen 2.979 N/A SER 48.A N GLN 145.A O no hydrogen 3.001 N/A ILE 50.A N ARG 143.A O no hydrogen 3.168 N/A GLU 53.A N GLU 53.A OE1 no hydrogen 2.508 N/A ASN 54.A ND2 LYS 126.A O no hydrogen 3.108 N/A TYR 56.A N ASN 54.A OD1 no hydrogen 2.816 N/A TYR 56.A OH ASP 17.A OD1 no hydrogen 2.742 N/A TYR 56.A OH ASP 17.A OD2 no hydrogen 3.427 N/A ASN 57.A N PRO 19.A O no hydrogen 2.965 N/A VAL 60.A N GLN 23.A OE1 no hydrogen 2.768 N/A PHE 61.A N LEU 74.A O no hydrogen 2.907 N/A ILE 63.A N ARG 72.A O no hydrogen 2.794 N/A ARG 72.A N ILE 63.A O no hydrogen 2.704 N/A ARG 72.A NE LYS 73.A O no hydrogen 3.404 N/A ARG 72.A NH1 ASP 110.A OD1 no hydrogen 2.668 N/A ARG 72.A NH2 ASP 185.A OD2 no hydrogen 2.852 N/A LYS 73.A NZ TYR 146.A OH no hydrogen 2.510 N/A LEU 74.A N PHE 61.A O no hydrogen 2.867 N/A ASP 76.A N PRO 59.A O no hydrogen 3.030 N/A ARG 78.A N ASP 76.A OD1 no hydrogen 3.290 N/A ARG 78.A NE ASP 76.A OD1 no hydrogen 2.746 N/A ARG 78.A NH1 PRO 400.A O no hydrogen 2.951 N/A ARG 78.A NH2 ASP 76.A OD2 no hydrogen 2.691 N/A ASN 81.A N PHE 77.A O no hydrogen 2.719 N/A ASN 81.A ND2 GLY 152.A O no hydrogen 2.905 N/A LYS 82.A N ARG 78.A O no hydrogen 3.243 N/A LYS 82.A NZ GLU 79.A OE1 no hydrogen 3.506 N/A LYS 82.A NZ GLU 401.A OE2 no hydrogen 2.753 N/A ARG 83.A N GLU 79.A O no hydrogen 3.133 N/A ARG 83.A NE ASP 17.A O no hydrogen 2.959 N/A THR 84.A N ASN 81.A O no hydrogen 3.433 N/A THR 84.A OG1 LEU 80.A O no hydrogen 2.832 N/A GLN 85.A N LYS 11.A O no hydrogen 3.036 N/A HIS 96.A NE2 VAL 369.A O no hydrogen 2.681 N/A LYS 101.A NZ ALA 98.A O no hydrogen 2.502 N/A LYS 102.A N GLY 99.A O no hydrogen 3.395 N/A LYS 103.A N LEU 100.A O no hydrogen 3.403 N/A LYS 103.A NZ ASP 192.A OD2 no hydrogen 3.284 N/A SER 105.A N SER 191.A O no hydrogen 3.250 N/A VAL 106.A N LEU 222.A O no hydrogen 2.739 N/A THR 107.A N VAL 189.A O no hydrogen 2.963 N/A LEU 109.A N LEU 187.A O no hydrogen 2.964 N/A VAL 111.A N ASP 185.A O no hydrogen 3.063 N/A ALA 114.A N VAL 111.A O no hydrogen 3.415 N/A TYR 115.A N GLY 112.A O no hydrogen 3.224 N/A TYR 115.A OH MET 184.A O no hydrogen 2.763 N/A SER 117.A N ALA 114.A O no hydrogen 3.382 N/A SER 117.A OG ALA 114.A O no hydrogen 2.754 N/A VAL 118.A N TYR 115.A O no hydrogen 3.074 N/A LEU 120.A N ASN 147.A O no hydrogen 2.933 N/A PHE 124.A N ASP 121.A O no hydrogen 3.197 N/A ARG 125.A N GLU 122.A O no hydrogen 3.485 N/A ARG 125.A NE LEU 120.A O no hydrogen 2.979 N/A ARG 125.A NH1 ASN 147.A OD1 no hydrogen 3.171 N/A ARG 125.A NH2 LEU 120.A O no hydrogen 3.250 N/A TYR 127.A N PHE 124.A O no hydrogen 3.272 N/A THR 128.A N ARG 125.A O no hydrogen 2.750 N/A THR 128.A OG1 ARG 125.A O no hydrogen 2.235 N/A ALA 129.A N LYS 126.A O no hydrogen 3.467 N/A PHE 130.A N TYR 144.A O no hydrogen 2.895 N/A ILE 132.A N ILE 142.A O no hydrogen 2.944 N/A SER 134.A OG THR 139.A O no hydrogen 2.689 N/A ASN 136.A ND2 GLU 138.A OE2 no hydrogen 2.834 N/A ASN 137.A N SER 134.A O no hydrogen 3.047 N/A GLU 138.A N ILE 135.A O no hydrogen 3.179 N/A ILE 142.A N ILE 132.A O no hydrogen 3.228 N/A ARG 143.A NE THR 131.A OG1 no hydrogen 2.934 N/A ARG 143.A NH1 GLY 51.A O no hydrogen 3.211 N/A ARG 143.A NH1 ASN 54.A O no hydrogen 2.723 N/A ARG 143.A NH2 TYR 56.A O no hydrogen 2.470 N/A TYR 144.A N PHE 130.A O no hydrogen 3.030 N/A GLN 145.A N SER 48.A O no hydrogen 3.052 N/A TYR 146.A N THR 128.A OG1 no hydrogen 2.978 N/A ASN 147.A N LYS 46.A O no hydrogen 2.925 N/A ASN 147.A ND2 GLY 45.A O no hydrogen 2.753 N/A ASN 147.A ND2 SER 48.A OG no hydrogen 2.811 N/A LEU 149.A N VAL 118.A O no hydrogen 3.100 N/A GLY 152.A N ASP 185.A OD1 no hydrogen 2.993 N/A TRP 153.A NE1 THR 84.A OG1 no hydrogen 3.117 N/A LYS 154.A N ASN 81.A OD1 no hydrogen 2.720 N/A LYS 154.A NZ THR 84.A O no hydrogen 3.121 N/A LYS 154.A NZ GLN 85.A O no hydrogen 3.226 N/A SER 156.A N TRP 153.A O no hydrogen 3.139 N/A SER 156.A OG PRO 150.A O no hydrogen 2.573 N/A ALA 158.A N GLY 155.A O no hydrogen 3.231 N/A ILE 159.A N GLY 155.A O no hydrogen 3.009 N/A PHE 160.A N SER 156.A O no hydrogen 3.014 N/A MET 164.A N PHE 160.A O no hydrogen 2.937 N/A THR 165.A N GLN 161.A O no hydrogen 3.022 N/A THR 165.A OG1 GLN 161.A O no hydrogen 3.060 N/A LYS 166.A N SER 162.A O no hydrogen 3.503 N/A ILE 167.A N SER 163.A O no hydrogen 2.906 N/A LEU 168.A N MET 164.A O no hydrogen 2.913 N/A LEU 168.A N THR 165.A O no hydrogen 3.029 N/A LYS 172.A N LEU 168.A O no hydrogen 3.228 N/A LYS 172.A N GLU 169.A O no hydrogen 3.162 N/A LYS 173.A N GLU 169.A O no hydrogen 3.142 N/A LYS 173.A N PRO 170.A O no hydrogen 3.074 N/A GLN 174.A N PRO 170.A O no hydrogen 3.262 N/A ASN 175.A N LYS 172.A O no hydrogen 3.391 N/A ASN 175.A ND2 PHE 171.A O no hydrogen 3.206 N/A VAL 179.A N GLY 190.A O no hydrogen 2.951 N/A TYR 181.A N TYR 188.A O no hydrogen 3.030 N/A TYR 183.A N ASP 186.A O no hydrogen 3.083 N/A ASP 186.A N TYR 183.A O no hydrogen 2.946 N/A LEU 187.A N LEU 109.A O no hydrogen 2.922 N/A TYR 188.A N TYR 181.A O no hydrogen 2.650 N/A VAL 189.A N THR 107.A O no hydrogen 2.916 N/A GLY 190.A N VAL 179.A O no hydrogen 2.895 N/A SER 191.A N SER 105.A O no hydrogen 3.231 N/A GLY 196.A N GLU 194.A OE2 no hydrogen 3.336 N/A HIS 198.A N GLU 194.A O no hydrogen 2.578 N/A ARG 199.A N ILE 195.A O no hydrogen 2.972 N/A THR 200.A N GLY 196.A O no hydrogen 3.061 N/A THR 200.A OG1 GLY 196.A O no hydrogen 3.520 N/A THR 200.A OG1 GLN 197.A O no hydrogen 2.677 N/A LYS 201.A N HIS 198.A O no hydrogen 2.751 N/A LYS 201.A NZ ASN 175.A OD1 no hydrogen 3.340 N/A ILE 202.A N HIS 198.A O no hydrogen 3.289 N/A ILE 202.A N ARG 199.A O no hydrogen 3.060 N/A GLU 203.A N ARG 199.A O no hydrogen 3.306 N/A GLU 204.A N THR 200.A O no hydrogen 2.773 N/A LEU 205.A N LYS 201.A O no hydrogen 2.900 N/A ARG 206.A N ILE 202.A O no hydrogen 2.719 N/A ARG 206.A NH2 THR 216.A O no hydrogen 2.810 N/A GLN 207.A N GLU 203.A O no hydrogen 2.839 N/A GLN 207.A NE2 GLU 203.A OE2 no hydrogen 2.521 N/A HIS 208.A N GLU 204.A O no hydrogen 3.038 N/A LEU 209.A N LEU 205.A O no hydrogen 2.856 N/A LEU 210.A N ARG 206.A O no hydrogen 2.676 N/A ARG 211.A N GLN 207.A O no hydrogen 2.956 N/A TRP 212.A N LEU 209.A O no hydrogen 2.984 N/A THR 215.A N GLY 213.A O no hydrogen 2.888 N/A THR 215.A OG1 ASP 113.A OD2 no hydrogen 2.742 N/A THR 216.A OG1 LEU 214.A O no hydrogen 3.552 N/A LEU 222.A N VAL 106.A O no hydrogen 2.908 N/A HIS 223.A ND1 LYS 104.A O no hydrogen 2.977 N/A TRP 227.A N ASP 225.A O no hydrogen 2.374 N/A GLN 230.A N THR 339.A O no hydrogen 3.023 N/A GLN 230.A NE2 PRO 231.A O no hydrogen 3.427 N/A TRP 240.A NE1 LYS 237.A O no hydrogen 2.882 N/A THR 241.A N ASP 244.A OD2 no hydrogen 3.084 N/A VAL 242.A N GLU 279.A O no hydrogen 2.976 N/A ASN 243.A N LEU 277.A O no hydrogen 3.232 N/A ASP 244.A N THR 241.A OG1 no hydrogen 2.806 N/A ILE 245.A N THR 241.A O no hydrogen 3.046 N/A GLN 246.A N VAL 242.A O no hydrogen 2.851 N/A LYS 247.A N ASN 243.A O no hydrogen 2.750 N/A LEU 248.A N ASP 244.A O no hydrogen 2.985 N/A VAL 249.A N ILE 245.A O no hydrogen 2.987 N/A GLY 250.A N GLN 246.A O no hydrogen 3.188 N/A LYS 251.A N LYS 247.A O no hydrogen 2.989 N/A LYS 251.A NZ VAL 233.A O no hydrogen 2.822 N/A LEU 252.A N LEU 248.A O no hydrogen 2.859 N/A ASN 253.A N VAL 249.A O no hydrogen 2.834 N/A TRP 254.A N GLY 250.A O no hydrogen 3.165 N/A ALA 255.A N LYS 251.A O no hydrogen 2.922 N/A SER 256.A N ASN 253.A O no hydrogen 2.749 N/A SER 256.A OG ASN 253.A O no hydrogen 2.427 N/A GLN 257.A N TRP 254.A O no hydrogen 2.985 N/A TYR 259.A N ALA 255.A O no hydrogen 3.305 N/A GLN 266.A N GLU 290.A OE1 no hydrogen 3.238 N/A GLN 266.A NE2 GLU 286.A OE1 no hydrogen 2.842 N/A LEU 267.A N VAL 264.A O no hydrogen 2.826 N/A CYS 268.A N VAL 264.A O no hydrogen 3.244 N/A LYS 269.A N ARG 265.A O no hydrogen 2.952 N/A LEU 271.A N CYS 268.A O no hydrogen 2.723 N/A ARG 272.A N LYS 269.A O no hydrogen 2.833 N/A LYS 275.A NZ LEU 270.A O no hydrogen 3.505 N/A LYS 275.A NZ ARG 272.A O no hydrogen 2.762 N/A GLU 279.A N ALA 276.A O no hydrogen 3.043 N/A ILE 281.A N TRP 240.A O no hydrogen 2.739 N/A GLU 288.A N THR 284.A O no hydrogen 3.111 N/A LEU 289.A N GLU 285.A O no hydrogen 2.954 N/A LEU 291.A N ALA 287.A O no hydrogen 3.384 N/A GLU 293.A N LEU 289.A O no hydrogen 2.990 N/A ASN 294.A N GLU 290.A O no hydrogen 3.095 N/A ARG 295.A N LEU 291.A O no hydrogen 2.721 N/A ARG 295.A NH1 PRO 235.A O no hydrogen 2.806 N/A ARG 295.A NH2 PRO 235.A O no hydrogen 2.896 N/A GLU 296.A N ALA 292.A O no hydrogen 3.099 N/A GLU 296.A N GLU 293.A O no hydrogen 2.994 N/A ILE 297.A N GLU 293.A O no hydrogen 3.077 N/A LEU 298.A N ASN 294.A O no hydrogen 2.926 N/A LYS 299.A N GLU 296.A O no hydrogen 2.701 N/A ASP 308.A N GLN 331.A OE1 no hydrogen 2.844 N/A SER 310.A N ASP 308.A OD1 no hydrogen 3.056 N/A SER 310.A OG ASP 308.A OD1 no hydrogen 2.911 N/A SER 310.A OG ASP 308.A OD2 no hydrogen 3.130 N/A LYS 311.A N ASP 308.A O no hydrogen 3.069 N/A ILE 314.A N TYR 330.A O no hydrogen 3.127 N/A ALA 315.A N LYS 376.A O no hydrogen 2.793 N/A GLU 316.A N GLN 328.A O no hydrogen 2.977 N/A GLN 318.A N THR 326.A O no hydrogen 2.685 N/A GLN 318.A NE2 GLN 328.A OE1 no hydrogen 2.674 N/A LYS 319.A NZ ASP 352.A OD2 no hydrogen 2.898 N/A GLN 320.A N GLN 324.A O no hydrogen 2.915 N/A GLN 320.A NE2 THR 326.A OG1 no hydrogen 3.038 N/A GLN 320.A NE2 VAL 411.A O no hydrogen 3.034 N/A TRP 325.A NE1 GLN 355.A OE1 no hydrogen 3.019 N/A THR 326.A N GLN 318.A O no hydrogen 3.043 N/A THR 326.A OG1 GLN 318.A O no hydrogen 3.309 N/A THR 326.A OG1 GLN 318.A OE1 no hydrogen 2.640 N/A TYR 327.A N GLY 340.A O no hydrogen 3.256 N/A TYR 327.A OH GLU 366.A OE1 no hydrogen 2.687 N/A GLN 328.A N GLU 316.A O no hydrogen 3.051 N/A GLN 328.A NE2 GLN 318.A OE1 no hydrogen 2.895 N/A ILE 329.A N LYS 338.A O no hydrogen 3.012 N/A TYR 330.A N ILE 314.A O no hydrogen 3.115 N/A TYR 330.A OH GLU 316.A OE2 no hydrogen 2.882 N/A GLN 331.A NE2 ASP 308.A O no hydrogen 2.506 N/A GLN 331.A NE2 LYS 311.A O no hydrogen 2.916 N/A GLN 331.A NE2 ASP 312.A O no hydrogen 3.373 N/A LYS 335.A N GLU 332.A O no hydrogen 2.947 N/A LEU 337.A N ILE 329.A O no hydrogen 2.811 N/A LYS 338.A N ILE 329.A O no hydrogen 3.354 N/A LYS 338.A NZ THR 228.A O no hydrogen 3.211 N/A LYS 338.A NZ TYR 327.A OH no hydrogen 3.425 N/A THR 339.A OG1 GLN 230.A O no hydrogen 3.083 N/A GLY 340.A N TYR 327.A O no hydrogen 3.092 N/A TYR 342.A N TRP 325.A O no hydrogen 3.001 N/A TYR 342.A OH GLU 358.A OE1 no hydrogen 3.064 N/A ARG 344.A N GLY 323.A O no hydrogen 2.723 N/A ARG 346.A NH2 GLN 322.A O no hydrogen 2.952 N/A ASN 351.A ND2 TYR 393.A OH no hydrogen 2.920 N/A VAL 353.A N ASN 351.A OD1 no hydrogen 3.096 N/A LYS 354.A N ASN 351.A OD1 no hydrogen 3.321 N/A GLN 355.A N ASN 351.A O no hydrogen 3.106 N/A GLN 355.A NE2 HIS 349.A O no hydrogen 2.957 N/A LEU 356.A N ASP 352.A O no hydrogen 3.262 N/A THR 357.A N VAL 353.A O no hydrogen 2.861 N/A THR 357.A OG1 VAL 353.A O no hydrogen 3.231 N/A GLU 358.A N LYS 354.A O no hydrogen 3.029 N/A ALA 359.A N GLN 355.A O no hydrogen 3.058 N/A VAL 360.A N LEU 356.A O no hydrogen 2.951 N/A GLN 361.A N THR 357.A O no hydrogen 3.372 N/A GLN 361.A N GLU 358.A O no hydrogen 3.207 N/A GLN 361.A NE2 THR 357.A O no hydrogen 2.724 N/A GLN 361.A NE2 TYR 393.A O no hydrogen 3.548 N/A LYS 362.A N GLU 358.A O no hydrogen 3.128 N/A LYS 362.A NZ TYR 220.A OH no hydrogen 3.364 N/A ILE 363.A N ALA 359.A O no hydrogen 2.904 N/A THR 364.A N VAL 360.A O no hydrogen 3.066 N/A THR 364.A OG1 VAL 360.A O no hydrogen 2.689 N/A THR 365.A N GLN 361.A O no hydrogen 2.965 N/A THR 365.A OG1 GLN 361.A O no hydrogen 3.205 N/A GLU 366.A N LYS 362.A O no hydrogen 2.929 N/A SER 367.A N ILE 363.A O no hydrogen 2.894 N/A SER 367.A OG LYS 373.A O no hydrogen 2.708 N/A ILE 368.A N THR 364.A O no hydrogen 2.703 N/A VAL 369.A N THR 365.A O no hydrogen 2.852 N/A ILE 370.A N GLU 366.A O no hydrogen 2.934 N/A TRP 371.A N SER 367.A O no hydrogen 2.917 N/A GLY 372.A N ILE 368.A O no hydrogen 2.720 N/A LYS 373.A NZ TYR 307.A OH no hydrogen 2.900 N/A LYS 373.A NZ PRO 309.A O no hydrogen 3.259 N/A LYS 373.A NZ LYS 311.A O no hydrogen 2.756 N/A LYS 376.A N LEU 313.A O no hydrogen 2.800 N/A PHE 377.A N GLU 401.A O no hydrogen 2.966 N/A LYS 378.A N ALA 315.A O no hydrogen 2.738 N/A LYS 378.A NZ GLU 403.A OE1 no hydrogen 2.671 N/A LEU 379.A N GLU 403.A O no hydrogen 2.853 N/A GLU 384.A N GLU 384.A OE1 no hydrogen 2.790 N/A TRP 386.A N GLN 382.A O no hydrogen 3.017 N/A GLU 387.A N LYS 383.A O no hydrogen 2.874 N/A THR 388.A N GLU 384.A O no hydrogen 2.815 N/A THR 388.A OG1 GLU 384.A O no hydrogen 3.557 N/A THR 388.A OG1 THR 385.A O no hydrogen 3.486 N/A TRP 389.A N TRP 386.A O no hydrogen 3.277 N/A TRP 390.A N TRP 386.A O no hydrogen 2.937 N/A GLU 392.A N TRP 389.A O no hydrogen 3.056 N/A TYR 393.A N TRP 390.A O no hydrogen 3.003 N/A TRP 394.A NE1 TRP 398.A O no hydrogen 2.881 N/A GLN 395.A N GLN 361.A OE1 no hydrogen 2.934 N/A THR 397.A OG1 ASP 186.A OD2 no hydrogen 3.492 N/A GLU 403.A N PHE 377.A O no hydrogen 2.763 N/A VAL 405.A N LEU 379.A O no hydrogen 3.117 N/A TRP 414.A N VAL 411.A O no hydrogen 3.119 N/A