Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3aqm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N VAL 127.A O no hydrogen 3.126 N/A GLU 8.A N GLU 8.A OE2 no hydrogen 2.963 N/A GLN 9.A N PRO 6.A O no hydrogen 2.995 N/A HIS 10.A N PRO 6.A O no hydrogen 3.212 N/A SER 13.A N HIS 10.A NE2 no hydrogen 3.175 N/A LYS 15.A NZ TYR 26.A OH no hydrogen 3.289 N/A ILE 17.A N ARG 14.A O no hydrogen 2.645 N/A SER 18.A N LYS 15.A O no hydrogen 3.156 N/A SER 18.A OG LYS 15.A O no hydrogen 3.559 N/A ALA 21.A N GLU 19.A O no hydrogen 2.351 N/A VAL 24.A N ALA 21.A O no hydrogen 3.398 N/A MET 25.A N LEU 22.A O no hydrogen 2.890 N/A TYR 26.A N LEU 22.A O no hydrogen 2.780 N/A LEU 28.A N MET 25.A O no hydrogen 2.770 N/A ASN 29.A N MET 25.A O no hydrogen 2.749 N/A ASN 29.A ND2 TYR 33.A O no hydrogen 3.594 N/A LYS 30.A N TYR 26.A O no hydrogen 2.593 N/A ALA 31.A N LEU 28.A O no hydrogen 2.770 N/A GLY 32.A N ASN 29.A O no hydrogen 3.069 N/A TYR 33.A OH GLN 64.A OE1 no hydrogen 3.300 N/A TRP 36.A N THR 57.A O no hydrogen 2.830 N/A TRP 36.A NE1 GLU 34.A OE1 no hydrogen 2.547 N/A LEU 37.A N TYR 120.A O no hydrogen 2.601 N/A VAL 38.A N ASP 55.A O no hydrogen 3.049 N/A ARG 43.A N GLY 39.A O no hydrogen 2.919 N/A ASP 44.A N GLY 40.A O no hydrogen 3.349 N/A LEU 45.A N GLY 41.A O no hydrogen 2.612 N/A LEU 46.A N VAL 42.A O no hydrogen 3.169 N/A LEU 47.A N ARG 43.A O no hydrogen 3.024 N/A GLY 48.A N ASP 44.A O no hydrogen 2.767 N/A VAL 56.A N GLU 92.A O no hydrogen 2.935 N/A THR 57.A N TRP 36.A O no hydrogen 2.818 N/A THR 58.A N ALA 94.A O no hydrogen 2.979 N/A THR 58.A OG1 GLU 34.A O no hydrogen 2.759 N/A ASN 59.A ND2 THR 58.A OG1 no hydrogen 3.350 N/A VAL 65.A N THR 61.A O no hydrogen 3.020 N/A LYS 67.A N GLU 63.A O no hydrogen 3.068 N/A LEU 68.A N GLN 64.A O no hydrogen 2.961 N/A LEU 81.A N PHE 79.A O no hydrogen 2.668 N/A ALA 82.A N VAL 93.A O no hydrogen 3.048 N/A VAL 84.A N ILE 91.A O no hydrogen 3.190 N/A MET 85.A N ARG 73.A O no hydrogen 3.041 N/A ILE 91.A N VAL 84.A O no hydrogen 2.588 N/A VAL 93.A N ALA 82.A O no hydrogen 2.800 N/A ALA 94.A N VAL 56.A O no hydrogen 3.330 N/A THR 95.A N ARG 80.A O no hydrogen 3.360 N/A THR 95.A OG1 ALA 60.A O no hydrogen 2.767 N/A PHE 96.A N THR 58.A O no hydrogen 2.832 N/A ASP 107.A N SER 103.A O no hydrogen 3.360 N/A ALA 108.A N ILE 104.A O no hydrogen 3.208 N/A GLN 109.A N GLU 106.A O no hydrogen 3.396 N/A ARG 110.A N ASP 107.A O no hydrogen 3.053 N/A ARG 110.A NE GLY 98.A O no hydrogen 3.282 N/A THR 114.A N ARG 143.A O no hydrogen 3.108 N/A THR 114.A OG1 ASP 136.A OD2 no hydrogen 3.549 N/A SER 117.A N THR 114.A O no hydrogen 2.717 N/A SER 117.A OG ALA 108.A O no hydrogen 3.190 N/A TYR 119.A N ARG 128.A O no hydrogen 3.143 N/A TYR 119.A OH ASP 107.A OD2 no hydrogen 2.495 N/A TYR 120.A N LEU 37.A O no hydrogen 2.853 N/A TYR 120.A OH SER 13.A O no hydrogen 3.381 N/A SER 121.A N THR 126.A O no hydrogen 3.300 N/A THR 126.A OG1 ASP 124.A OD2 no hydrogen 2.408 N/A VAL 127.A N ILE 5.A O no hydrogen 3.028 N/A ARG 128.A N TYR 119.A O no hydrogen 2.726 N/A ARG 128.A NE THR 126.A OG1 no hydrogen 3.058 N/A ARG 128.A NH2 ASP 124.A OD2 no hydrogen 3.470 N/A ASP 129.A N THR 3.A O no hydrogen 2.644 N/A MET 134.A N ASP 129.A OD1 no hydrogen 3.147 N/A ASP 136.A N GLY 132.A O no hydrogen 3.440 N/A LEU 137.A N GLY 133.A O no hydrogen 2.709 N/A LYS 138.A N MET 134.A O no hydrogen 2.869 N/A ASP 139.A N LYS 135.A O no hydrogen 3.015 N/A GLY 140.A N ASP 136.A O no hydrogen 2.748 N/A VAL 141.A N ASP 136.A O no hydrogen 2.934 N/A ILE 142.A N ARG 172.A O no hydrogen 2.982 N/A ARG 143.A NE ASP 136.A OD1 no hydrogen 2.996 N/A ARG 143.A NE ASP 136.A OD2 no hydrogen 3.229 N/A ARG 143.A NH1 GLU 176.A OE1 no hydrogen 2.704 N/A ARG 143.A NH2 ASP 136.A OD1 no hydrogen 2.539 N/A LEU 144.A N THR 177.A OG1 no hydrogen 2.959 N/A ILE 145.A N ASP 112.A O no hydrogen 2.800 N/A ASN 147.A ND2 THR 150.A OG1 no hydrogen 2.811 N/A ARG 151.A N ASN 147.A O no hydrogen 3.058 N/A ARG 151.A NH2 ARG 111.A O no hydrogen 3.539 N/A TYR 152.A N PRO 148.A O no hydrogen 2.983 N/A TYR 152.A OH THR 177.A O no hydrogen 2.535 N/A ARG 153.A N GLU 149.A O no hydrogen 3.331 N/A ARG 153.A NE GLU 149.A OE2 no hydrogen 3.166 N/A ARG 153.A NH2 GLU 149.A OE2 no hydrogen 3.059 N/A GLU 154.A N THR 150.A O no hydrogen 3.017 N/A ASP 155.A N ARG 151.A O no hydrogen 2.925 N/A VAL 157.A N ASP 155.A OD2 no hydrogen 3.085 N/A ARG 158.A N ASP 155.A O no hydrogen 3.074 N/A ARG 158.A NE ASP 112.A OD1 no hydrogen 3.146 N/A ARG 158.A NH1 GLU 154.A OE2 no hydrogen 3.214 N/A MET 159.A N PRO 156.A O no hydrogen 2.923 N/A LEU 160.A N VAL 157.A O no hydrogen 2.675 N/A ARG 161.A N VAL 157.A O no hydrogen 3.211 N/A ARG 161.A NE GLU 199.A OE2 no hydrogen 3.122 N/A ARG 161.A NH1 ASP 112.A OD2 no hydrogen 3.205 N/A ALA 162.A N ARG 158.A O no hydrogen 2.896 N/A VAL 163.A N MET 159.A O no hydrogen 3.303 N/A ARG 164.A N LEU 160.A O no hydrogen 2.806 N/A ARG 164.A NH2 GLU 199.A OE1 no hydrogen 3.391 N/A PHE 165.A N ARG 161.A O no hydrogen 2.971 N/A ALA 167.A N VAL 163.A O no hydrogen 3.102 N/A ALA 167.A N ARG 164.A O no hydrogen 2.955 N/A LYS 168.A N ARG 164.A O no hydrogen 2.746 N/A LEU 169.A N PHE 165.A O no hydrogen 2.889 N/A ARG 172.A N GLY 140.A O no hydrogen 3.217 N/A SER 174.A N ILE 142.A O no hydrogen 2.619 N/A SER 174.A OG GLU 176.A OE1 no hydrogen 2.568 N/A THR 177.A N SER 174.A O no hydrogen 2.971 N/A THR 177.A OG1 GLU 176.A OE2 no hydrogen 3.384 N/A ALA 178.A N PRO 175.A O no hydrogen 2.919 N/A GLU 179.A N PRO 175.A O no hydrogen 3.215 N/A ARG 183.A NE GLU 179.A OE1 no hydrogen 3.075 N/A ARG 183.A NH2 GLU 149.A OE1 no hydrogen 3.094 N/A ARG 183.A NH2 GLU 179.A OE2 no hydrogen 3.384 N/A LEU 184.A N PRO 180.A O no hydrogen 2.813 N/A ALA 185.A N ILE 181.A O no hydrogen 2.652 N/A THR 186.A OG1 ARG 183.A O no hydrogen 3.491 N/A LEU 187.A N LEU 184.A O no hydrogen 2.706 N/A LEU 188.A N ALA 185.A O no hydrogen 3.028 N/A ASN 189.A N THR 186.A O no hydrogen 3.194 N/A ASN 189.A ND2 THR 186.A O no hydrogen 2.872 N/A ILE 191.A N LEU 188.A O no hydrogen 2.649 N/A ARG 195.A N PRO 192.A O no hydrogen 2.948 N/A ARG 195.A NH2 ASP 155.A OD2 no hydrogen 3.397 N/A LEU 196.A N PRO 192.A O no hydrogen 3.205 N/A PHE 197.A N PRO 193.A O no hydrogen 3.153 N/A GLU 198.A N ALA 194.A O no hydrogen 3.466 N/A GLU 199.A N ARG 195.A O no hydrogen 2.859 N/A SER 200.A N PHE 197.A O no hydrogen 2.545 N/A SER 200.A OG PHE 197.A O no hydrogen 2.597 N/A LEU 201.A N PHE 197.A O no hydrogen 3.158 N/A LEU 201.A N GLU 198.A O no hydrogen 3.194 N/A LYS 202.A N GLU 198.A O no hydrogen 3.309 N/A LEU 203.A N SER 200.A O no hydrogen 3.172 N/A LEU 204.A N SER 200.A O no hydrogen 3.091 N/A GLN 205.A N LEU 201.A O no hydrogen 2.951 N/A GLY 207.A N GLN 205.A O no hydrogen 2.130 N/A TYR 210.A N ASP 253.A OD1 no hydrogen 2.965 N/A THR 212.A N TYR 208.A O no hydrogen 3.084 N/A THR 212.A OG1 TYR 208.A O no hydrogen 3.047 N/A TYR 213.A N GLY 209.A O no hydrogen 3.008 N/A TYR 213.A N TYR 210.A O no hydrogen 3.065 N/A LYS 214.A N TYR 210.A O no hydrogen 3.052 N/A LEU 215.A N GLU 211.A O no hydrogen 3.060 N/A LEU 216.A N THR 212.A O no hydrogen 2.997 N/A CYS 217.A N TYR 213.A O no hydrogen 3.225 N/A GLU 218.A N LYS 214.A O no hydrogen 3.356 N/A HIS 220.A N CYS 217.A O no hydrogen 3.162 N/A PHE 226.A N PHE 222.A O no hydrogen 2.906 N/A THR 228.A OG1 GLU 305.A OE1 no hydrogen 2.896 N/A ILE 229.A N PHE 226.A O no hydrogen 3.156 N/A THR 230.A N PHE 226.A O no hydrogen 2.985 N/A THR 230.A OG1 PHE 226.A O no hydrogen 3.336 N/A ARG 231.A N PRO 227.A O no hydrogen 3.151 N/A ARG 231.A NH1 GLU 305.A OE1 no hydrogen 3.311 N/A ARG 231.A NH2 GLU 305.A OE1 no hydrogen 2.814 N/A TYR 232.A N ILE 229.A O no hydrogen 2.653 N/A PHE 233.A N THR 230.A O no hydrogen 2.907 N/A THR 234.A N GLU 242.A OE1 no hydrogen 3.058 N/A GLY 237.A N THR 234.A OG1 no hydrogen 3.248 N/A SER 239.A N GLU 242.A OE2 no hydrogen 2.862 N/A MET 241.A N SER 239.A OG no hydrogen 3.308 N/A ARG 243.A N SER 239.A O no hydrogen 3.105 N/A ARG 243.A NE VAL 360.A O no hydrogen 3.415 N/A ARG 243.A NH1 ASP 238.A OD2 no hydrogen 2.648 N/A ARG 243.A NH2 VAL 360.A O no hydrogen 3.497 N/A ILE 244.A N PRO 240.A O no hydrogen 3.102 N/A ILE 245.A N MET 241.A O no hydrogen 3.122 N/A GLU 246.A N GLU 242.A O no hydrogen 3.191 N/A GLN 247.A N ARG 243.A O no hydrogen 2.856 N/A GLN 247.A NE2 GLN 247.A O no hydrogen 3.489 N/A VAL 248.A N ILE 244.A O no hydrogen 2.863 N/A LEU 249.A N ILE 245.A O no hydrogen 3.213 N/A LEU 249.A N GLU 246.A O no hydrogen 3.065 N/A LYS 250.A N GLU 246.A O no hydrogen 3.003 N/A ASN 251.A N GLN 247.A O no hydrogen 2.847 N/A THR 252.A N VAL 248.A O no hydrogen 3.097 N/A ASP 253.A N LEU 249.A O no hydrogen 2.971 N/A THR 254.A N LYS 250.A O no hydrogen 3.020 N/A THR 254.A OG1 LYS 250.A O no hydrogen 3.166 N/A ARG 255.A N ASN 251.A O no hydrogen 3.079 N/A ILE 256.A N THR 252.A O no hydrogen 3.334 N/A HIS 257.A N ASP 253.A O no hydrogen 3.121 N/A ASN 258.A N THR 254.A O no hydrogen 2.817 N/A ASN 258.A N ARG 255.A O no hydrogen 2.801 N/A MET 260.A N ARG 255.A O no hydrogen 3.054 N/A ALA 269.A N ALA 265.A O no hydrogen 3.083 N/A ALA 270.A N LEU 267.A O no hydrogen 3.073 N/A MET 271.A N LEU 267.A O no hydrogen 3.057 N/A PHE 272.A N PHE 268.A O no hydrogen 2.841 N/A TYR 274.A OH GLU 361.A OE2 no hydrogen 2.572 N/A LEU 276.A N PHE 272.A O no hydrogen 2.946 N/A LEU 277.A N TRP 273.A O no hydrogen 2.690 N/A GLU 278.A N TYR 274.A O no hydrogen 2.716 N/A THR 279.A N PRO 275.A O no hydrogen 3.094 N/A THR 279.A OG1 PRO 275.A O no hydrogen 3.347 N/A ALA 280.A N LEU 276.A O no hydrogen 2.913 N/A GLN 281.A N LEU 277.A O no hydrogen 3.265 N/A LYS 282.A N GLU 278.A O no hydrogen 2.967 N/A LYS 282.A NZ GLU 286.A OE2 no hydrogen 3.306 N/A ILE 283.A N THR 279.A O no hydrogen 3.358 N/A ALA 284.A N ALA 280.A O no hydrogen 3.072 N/A GLN 285.A N GLN 281.A O no hydrogen 3.325 N/A GLU 286.A N LYS 282.A O no hydrogen 3.086 N/A SER 287.A N ALA 284.A O no hydrogen 3.440 N/A SER 287.A OG SER 287.A O no hydrogen 2.568 N/A THR 290.A OG1 ASP 293.A OD2 no hydrogen 2.869 N/A ASP 293.A N THR 290.A O no hydrogen 3.149 N/A ALA 294.A N THR 290.A O no hydrogen 2.902 N/A PHE 295.A N TYR 291.A O no hydrogen 2.882 N/A ALA 296.A N HIS 292.A O no hydrogen 3.312 N/A LEU 297.A N ASP 293.A O no hydrogen 3.099 N/A LEU 297.A N ALA 294.A O no hydrogen 3.012 N/A ALA 298.A N ALA 294.A O no hydrogen 2.944 N/A MET 299.A N PHE 295.A O no hydrogen 3.209 N/A ASP 301.A N LEU 297.A O no hydrogen 3.431 N/A VAL 302.A N ALA 298.A O no hydrogen 2.955 N/A LEU 303.A N MET 299.A O no hydrogen 3.106 N/A ASP 304.A N ASN 300.A O no hydrogen 3.228 N/A GLU 305.A N VAL 302.A O no hydrogen 3.294 N/A ALA 306.A N VAL 302.A O no hydrogen 3.124 N/A CYS 307.A N LEU 303.A O no hydrogen 2.571 N/A ARG 308.A N GLU 305.A O no hydrogen 2.804 N/A ARG 308.A NE ASP 304.A O no hydrogen 2.961 N/A SER 309.A N ALA 306.A O no hydrogen 2.640 N/A SER 309.A OG PRO 224.A O no hydrogen 3.017 N/A LEU 310.A N ALA 306.A O no hydrogen 2.860 N/A ALA 311.A N PRO 193.A O no hydrogen 2.840 N/A THR 317.A N PRO 313.A O no hydrogen 3.154 N/A THR 317.A OG1 PRO 313.A O no hydrogen 3.389 N/A THR 317.A OG1 LYS 314.A O no hydrogen 2.689 N/A THR 318.A N LYS 314.A O no hydrogen 3.414 N/A THR 318.A OG1 LYS 314.A O no hydrogen 2.790 N/A THR 318.A OG1 ARG 315.A O no hydrogen 3.333 N/A THR 320.A N LEU 316.A O no hydrogen 3.120 N/A THR 320.A OG1 LEU 316.A O no hydrogen 2.864 N/A ARG 321.A N THR 317.A O no hydrogen 3.115 N/A ASP 322.A N THR 318.A O no hydrogen 3.166 N/A ILE 323.A N LEU 319.A O no hydrogen 2.754 N/A TRP 324.A N THR 320.A O no hydrogen 2.946 N/A TRP 324.A NE1 ALA 269.A O no hydrogen 2.843 N/A GLN 325.A N ARG 321.A O no hydrogen 2.746 N/A LEU 326.A N ASP 322.A O no hydrogen 3.027 N/A GLN 327.A N TRP 324.A O no hydrogen 2.524 N/A GLN 327.A NE2 ILE 323.A O no hydrogen 3.149 N/A GLN 327.A NE2 ALA 350.A O no hydrogen 2.824 N/A LEU 328.A N GLN 325.A O no hydrogen 2.662 N/A MET 330.A N LEU 326.A O no hydrogen 2.888 N/A SER 331.A N LEU 328.A O no hydrogen 2.725 N/A SER 331.A OG LEU 328.A O no hydrogen 2.374 N/A ARG 332.A N LEU 328.A O no hydrogen 3.383 N/A ALA 338.A N GLY 335.A O no hydrogen 2.857 N/A LEU 341.A N ALA 338.A O no hydrogen 2.852 N/A LEU 342.A N ALA 338.A O no hydrogen 3.075 N/A GLU 343.A N TRP 339.A O no hydrogen 3.151 N/A HIS 344.A N LEU 341.A O no hydrogen 2.535 N/A LYS 346.A N HIS 344.A ND1 no hydrogen 2.901 N/A PHE 347.A N HIS 344.A O no hydrogen 2.828 N/A ALA 350.A N LYS 346.A O no hydrogen 3.009 N/A TYR 351.A N PHE 347.A O no hydrogen 2.695 N/A TYR 351.A OH VAL 370.A O no hydrogen 3.420 N/A ASP 352.A N ARG 348.A O no hydrogen 2.960 N/A LEU 353.A N ALA 349.A O no hydrogen 2.926 N/A LEU 353.A N ALA 350.A O no hydrogen 3.081 N/A LEU 354.A N ALA 350.A O no hydrogen 3.079 N/A LEU 354.A N TYR 351.A O no hydrogen 2.563 N/A ALA 355.A N TYR 351.A O no hydrogen 2.774 N/A LEU 356.A N ASP 352.A O no hydrogen 3.462 N/A ARG 357.A N LEU 353.A O no hydrogen 2.961 N/A ARG 357.A NH1 GLN 327.A OE1 no hydrogen 3.125 N/A ALA 358.A N LEU 354.A O no hydrogen 3.239 N/A GLU 359.A N ALA 355.A O no hydrogen 3.180 N/A VAL 360.A N LEU 356.A O no hydrogen 2.854 N/A GLU 361.A N ARG 357.A O no hydrogen 3.336 N/A GLN 367.A N ASN 363.A O no hydrogen 3.207 N/A GLN 367.A NE2 ASN 363.A O no hydrogen 3.610 N/A ARG 368.A N GLU 365.A O no hydrogen 3.310 N/A LEU 369.A N LEU 366.A O no hydrogen 2.694 N/A LYS 371.A N GLN 367.A O no hydrogen 3.332 N/A TRP 372.A N ARG 368.A O no hydrogen 2.935 N/A TRP 373.A N LEU 369.A O no hydrogen 3.028 N/A TRP 373.A NE1 MET 330.A O no hydrogen 2.861 N/A PHE 376.A N TRP 372.A O no hydrogen 2.910 N/A VAL 378.A N GLU 375.A O no hydrogen 2.930 N/A SER 379.A N GLU 375.A O no hydrogen 2.887 N/A SER 379.A OG GLU 375.A O no hydrogen 2.949 N/A GLN 384.A N ALA 380.A O no hydrogen 2.772 N/A GLN 384.A NE2 SER 379.A O no hydrogen 2.405 N/A LYS 385.A N PRO 382.A O no hydrogen 2.938 N/A GLY 386.A N PRO 382.A O no hydrogen 3.273 N/A MET 387.A N ASP 383.A O no hydrogen 2.865 N/A LEU 388.A N LYS 385.A O no hydrogen 2.836 N/A