Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3aqn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N VAL 127.A O no hydrogen 2.974 N/A GLU 8.A N GLU 8.A OE2 no hydrogen 3.178 N/A HIS 10.A N PRO 6.A O no hydrogen 2.968 N/A HIS 10.A NE2 SER 13.A O no hydrogen 3.338 N/A SER 13.A N ALA 11.A O no hydrogen 2.225 N/A LYS 15.A NZ TYR 26.A OH no hydrogen 2.955 N/A ILE 17.A N ARG 14.A O no hydrogen 2.654 N/A SER 18.A N LYS 15.A O no hydrogen 3.421 N/A ALA 21.A N GLU 19.A O no hydrogen 2.406 N/A VAL 24.A N ALA 21.A O no hydrogen 3.286 N/A MET 25.A N ALA 21.A O no hydrogen 3.436 N/A TYR 26.A N LEU 22.A O no hydrogen 2.877 N/A LEU 28.A N VAL 24.A O no hydrogen 3.368 N/A ASN 29.A N MET 25.A O no hydrogen 2.561 N/A ASN 29.A ND2 TYR 33.A O no hydrogen 3.463 N/A LYS 30.A N TYR 26.A O no hydrogen 2.704 N/A ALA 31.A N ARG 27.A O no hydrogen 3.128 N/A ALA 31.A N LEU 28.A O no hydrogen 3.028 N/A GLY 32.A N ASN 29.A O no hydrogen 3.296 N/A TYR 33.A OH GLN 64.A OE1 no hydrogen 3.065 N/A TRP 36.A N THR 57.A O no hydrogen 2.877 N/A TRP 36.A NE1 GLU 34.A OE1 no hydrogen 2.843 N/A LEU 37.A N TYR 120.A O no hydrogen 2.707 N/A VAL 38.A N ASP 55.A O no hydrogen 3.134 N/A GLY 39.A N LEU 118.A O no hydrogen 3.436 N/A ARG 43.A N GLY 39.A O no hydrogen 2.825 N/A ARG 43.A NH2 ASP 44.A OD1 no hydrogen 2.938 N/A ASP 44.A N GLY 40.A O no hydrogen 3.368 N/A LEU 45.A N GLY 41.A O no hydrogen 2.679 N/A LEU 46.A N VAL 42.A O no hydrogen 3.163 N/A LEU 47.A N ARG 43.A O no hydrogen 2.957 N/A GLY 48.A N LEU 45.A O no hydrogen 3.033 N/A VAL 56.A N GLU 92.A O no hydrogen 2.697 N/A THR 57.A N TRP 36.A O no hydrogen 2.701 N/A THR 58.A N ALA 94.A O no hydrogen 2.962 N/A THR 58.A OG1 GLU 34.A O no hydrogen 3.036 N/A ALA 60.A N THR 58.A OG1 no hydrogen 3.043 N/A VAL 65.A N THR 61.A O no hydrogen 2.781 N/A ARG 66.A N PRO 62.A O no hydrogen 3.119 N/A LYS 67.A N GLU 63.A O no hydrogen 3.352 N/A LEU 68.A N GLN 64.A O no hydrogen 3.261 N/A ARG 70.A N LYS 67.A O no hydrogen 3.281 N/A ARG 70.A NE LYS 67.A O no hydrogen 3.336 N/A CYS 72.A N PHE 69.A O no hydrogen 2.584 N/A ALA 82.A N VAL 93.A O no hydrogen 3.015 N/A VAL 84.A N ILE 91.A O no hydrogen 3.109 N/A MET 85.A N ARG 73.A O no hydrogen 3.054 N/A PHE 86.A N GLU 89.A O no hydrogen 3.001 N/A ILE 91.A N VAL 84.A O no hydrogen 2.853 N/A VAL 93.A N ALA 82.A O no hydrogen 2.680 N/A ALA 94.A N VAL 56.A O no hydrogen 3.166 N/A THR 95.A OG1 ALA 60.A O no hydrogen 2.849 N/A PHE 96.A N THR 58.A O no hydrogen 3.110 N/A ARG 97.A N ASP 107.A OD1 no hydrogen 3.022 N/A ARG 97.A NE ASP 107.A OD1 no hydrogen 3.313 N/A GLY 98.A N ILE 100.A O no hydrogen 2.645 N/A ASP 107.A N SER 103.A O no hydrogen 2.957 N/A ALA 108.A N ILE 104.A O no hydrogen 3.330 N/A ARG 110.A N ASP 107.A O no hydrogen 3.119 N/A ARG 111.A NH2 ASP 107.A OD2 no hydrogen 2.610 N/A THR 114.A N ARG 143.A O no hydrogen 3.287 N/A THR 114.A OG1 ASP 136.A OD2 no hydrogen 3.085 N/A SER 117.A N THR 114.A O no hydrogen 3.311 N/A SER 117.A OG ALA 108.A O no hydrogen 3.388 N/A LEU 118.A N ILE 115.A O no hydrogen 3.158 N/A TYR 119.A N ARG 128.A O no hydrogen 3.234 N/A TYR 119.A OH ASP 107.A OD2 no hydrogen 2.831 N/A TYR 120.A N LEU 37.A O no hydrogen 2.879 N/A SER 121.A N THR 126.A O no hydrogen 3.312 N/A ALA 123.A N SER 121.A OG no hydrogen 3.366 N/A PHE 125.A N SER 121.A O no hydrogen 2.938 N/A THR 126.A OG1 ASP 124.A OD2 no hydrogen 2.539 N/A VAL 127.A N ILE 5.A O no hydrogen 2.964 N/A ARG 128.A N TYR 119.A O no hydrogen 2.801 N/A ASP 129.A N THR 3.A O no hydrogen 2.704 N/A VAL 131.A N ASP 129.A OD1 no hydrogen 3.062 N/A MET 134.A N ASP 129.A OD2 no hydrogen 2.739 N/A LYS 135.A N GLY 132.A O no hydrogen 2.916 N/A LEU 137.A N GLY 133.A O no hydrogen 2.777 N/A LYS 138.A N MET 134.A O no hydrogen 2.956 N/A ASP 139.A N LYS 135.A O no hydrogen 2.807 N/A GLY 140.A N ASP 136.A O no hydrogen 2.852 N/A VAL 141.A N ASP 136.A O no hydrogen 3.173 N/A ILE 142.A N ARG 172.A O no hydrogen 3.021 N/A ARG 143.A NE ASP 136.A OD1 no hydrogen 3.207 N/A ARG 143.A NE ASP 136.A OD2 no hydrogen 2.873 N/A ARG 143.A NH1 GLU 176.A OE1 no hydrogen 2.932 N/A ARG 143.A NH2 ASP 136.A OD1 no hydrogen 2.648 N/A LEU 144.A N THR 177.A OG1 no hydrogen 3.160 N/A ILE 145.A N ASP 112.A O no hydrogen 3.068 N/A ASN 147.A ND2 THR 150.A OG1 no hydrogen 2.884 N/A ARG 151.A N ASN 147.A O no hydrogen 3.161 N/A TYR 152.A N PRO 148.A O no hydrogen 2.985 N/A ARG 153.A NE GLU 149.A OE2 no hydrogen 3.168 N/A ARG 153.A NH2 GLU 149.A OE2 no hydrogen 3.076 N/A GLU 154.A N THR 150.A O no hydrogen 2.911 N/A ASP 155.A N ARG 151.A O no hydrogen 2.849 N/A ARG 158.A N ASP 155.A O no hydrogen 3.084 N/A ARG 158.A N ASP 155.A OD2 no hydrogen 3.117 N/A ARG 158.A NE ASP 112.A OD1 no hydrogen 3.504 N/A ARG 158.A NH2 ARG 151.A O no hydrogen 3.146 N/A MET 159.A N PRO 156.A O no hydrogen 3.063 N/A ARG 161.A N VAL 157.A O no hydrogen 3.036 N/A ARG 161.A NH1 ASP 112.A OD2 no hydrogen 2.862 N/A ALA 162.A N ARG 158.A O no hydrogen 3.104 N/A VAL 163.A N MET 159.A O no hydrogen 3.176 N/A VAL 163.A N LEU 160.A O no hydrogen 2.901 N/A ARG 164.A N LEU 160.A O no hydrogen 2.911 N/A ARG 164.A N ARG 161.A O no hydrogen 2.585 N/A ARG 164.A NH2 GLU 199.A OE1 no hydrogen 3.542 N/A ARG 164.A NH2 GLU 199.A OE2 no hydrogen 2.570 N/A PHE 165.A N ARG 161.A O no hydrogen 3.033 N/A ALA 166.A N ALA 162.A O no hydrogen 3.359 N/A ALA 167.A N VAL 163.A O no hydrogen 3.274 N/A ALA 167.A N ARG 164.A O no hydrogen 3.055 N/A LYS 168.A N ARG 164.A O no hydrogen 2.821 N/A LEU 169.A N PHE 165.A O no hydrogen 3.145 N/A ARG 172.A N GLY 140.A O no hydrogen 3.141 N/A ARG 172.A NH2 ASP 139.A O no hydrogen 3.260 N/A SER 174.A N ILE 142.A O no hydrogen 2.835 N/A THR 177.A N SER 174.A O no hydrogen 2.712 N/A THR 177.A OG1 GLU 176.A OE2 no hydrogen 3.376 N/A ALA 178.A N PRO 175.A O no hydrogen 2.970 N/A GLU 179.A N PRO 175.A O no hydrogen 3.184 N/A ILE 181.A N ALA 178.A O no hydrogen 3.130 N/A ARG 183.A NE GLU 179.A OE1 no hydrogen 2.852 N/A ARG 183.A NE GLU 179.A OE2 no hydrogen 3.539 N/A ARG 183.A NH2 GLU 149.A OE1 no hydrogen 2.860 N/A ARG 183.A NH2 GLU 179.A OE2 no hydrogen 3.400 N/A LEU 184.A N PRO 180.A O no hydrogen 2.818 N/A ALA 185.A N ILE 181.A O no hydrogen 2.598 N/A LEU 187.A N LEU 184.A O no hydrogen 2.794 N/A LEU 188.A N ALA 185.A O no hydrogen 3.103 N/A ASN 189.A N THR 186.A O no hydrogen 2.873 N/A ASP 190.A N LEU 187.A O no hydrogen 3.271 N/A ILE 191.A N LEU 188.A O no hydrogen 3.014 N/A LEU 196.A N PRO 192.A O no hydrogen 3.437 N/A PHE 197.A N PRO 193.A O no hydrogen 2.972 N/A GLU 198.A N ALA 194.A O no hydrogen 3.172 N/A GLU 199.A N HIS 195.A O no hydrogen 2.918 N/A SER 200.A N PHE 197.A O no hydrogen 2.732 N/A SER 200.A OG PHE 197.A O no hydrogen 2.543 N/A LEU 201.A N PHE 197.A O no hydrogen 3.273 N/A LEU 201.A N GLU 198.A O no hydrogen 3.202 N/A LEU 204.A N SER 200.A O no hydrogen 3.480 N/A GLN 205.A N LEU 201.A O no hydrogen 2.957 N/A TYR 210.A N ASP 253.A OD1 no hydrogen 3.157 N/A THR 212.A N TYR 208.A O no hydrogen 3.261 N/A TYR 213.A N TYR 210.A O no hydrogen 3.192 N/A LYS 214.A N TYR 210.A O no hydrogen 3.057 N/A LEU 216.A N THR 212.A O no hydrogen 3.302 N/A CYS 217.A N TYR 213.A O no hydrogen 3.080 N/A GLU 218.A N LYS 214.A O no hydrogen 3.331 N/A HIS 220.A N CYS 217.A O no hydrogen 3.349 N/A PHE 222.A N LEU 216.A O no hydrogen 2.737 N/A LEU 225.A N PHE 222.A O no hydrogen 3.164 N/A PHE 226.A N PHE 222.A O no hydrogen 3.008 N/A THR 228.A OG1 GLU 305.A OE1 no hydrogen 2.758 N/A ILE 229.A N PHE 226.A O no hydrogen 3.249 N/A THR 230.A N PHE 226.A O no hydrogen 3.083 N/A THR 230.A OG1 PHE 226.A O no hydrogen 2.608 N/A THR 230.A OG1 PRO 227.A O no hydrogen 3.452 N/A ARG 231.A N PRO 227.A O no hydrogen 3.228 N/A ARG 231.A NH2 GLU 305.A OE1 no hydrogen 3.041 N/A ARG 231.A NH2 GLU 305.A OE2 no hydrogen 3.406 N/A TYR 232.A N ILE 229.A O no hydrogen 2.533 N/A PHE 233.A N THR 230.A O no hydrogen 2.899 N/A THR 234.A N GLU 242.A OE1 no hydrogen 3.115 N/A THR 234.A OG1 GLU 242.A OE2 no hydrogen 3.259 N/A GLY 237.A N THR 234.A O no hydrogen 2.930 N/A GLY 237.A N THR 234.A OG1 no hydrogen 3.346 N/A SER 239.A N GLU 242.A OE2 no hydrogen 2.866 N/A GLU 242.A N SER 239.A O no hydrogen 3.181 N/A GLU 242.A N SER 239.A OG no hydrogen 3.281 N/A ARG 243.A N SER 239.A O no hydrogen 3.137 N/A ARG 243.A NH1 ASP 238.A O no hydrogen 3.119 N/A ARG 243.A NH1 ASP 238.A OD2 no hydrogen 3.082 N/A ILE 244.A N PRO 240.A O no hydrogen 2.921 N/A ILE 245.A N MET 241.A O no hydrogen 3.177 N/A GLU 246.A N GLU 242.A O no hydrogen 3.393 N/A GLN 247.A N ARG 243.A O no hydrogen 2.967 N/A GLN 247.A NE2 GLN 247.A O no hydrogen 3.227 N/A VAL 248.A N ILE 244.A O no hydrogen 2.993 N/A LEU 249.A N ILE 245.A O no hydrogen 3.352 N/A LYS 250.A N GLU 246.A O no hydrogen 2.891 N/A ASN 251.A N GLN 247.A O no hydrogen 2.737 N/A THR 252.A N VAL 248.A O no hydrogen 2.815 N/A THR 252.A OG1 VAL 248.A O no hydrogen 3.554 N/A ASP 253.A N LEU 249.A O no hydrogen 2.782 N/A THR 254.A N LYS 250.A O no hydrogen 3.079 N/A THR 254.A OG1 LYS 250.A O no hydrogen 3.278 N/A ARG 255.A N ASN 251.A O no hydrogen 2.926 N/A ILE 256.A N THR 252.A O no hydrogen 3.205 N/A ILE 256.A N ASP 253.A O no hydrogen 2.957 N/A HIS 257.A N ASP 253.A O no hydrogen 3.168 N/A HIS 257.A N THR 254.A O no hydrogen 3.004 N/A ASN 258.A N THR 254.A O no hydrogen 3.176 N/A ASP 259.A N ILE 256.A O no hydrogen 3.418 N/A MET 260.A N ARG 255.A O no hydrogen 2.889 N/A LEU 267.A N ASN 263.A O no hydrogen 3.319 N/A PHE 268.A N PRO 264.A O no hydrogen 3.171 N/A ALA 269.A N ALA 265.A O no hydrogen 3.194 N/A ALA 270.A N PHE 266.A O no hydrogen 2.968 N/A ALA 270.A N LEU 267.A O no hydrogen 3.157 N/A MET 271.A N LEU 267.A O no hydrogen 3.289 N/A PHE 272.A N PHE 268.A O no hydrogen 3.077 N/A TRP 273.A N ALA 270.A O no hydrogen 3.378 N/A TYR 274.A OH GLU 361.A OE2 no hydrogen 3.071 N/A LEU 276.A N PHE 272.A O no hydrogen 2.817 N/A LEU 276.A N TRP 273.A O no hydrogen 2.832 N/A LEU 277.A N TRP 273.A O no hydrogen 2.684 N/A GLU 278.A N TYR 274.A O no hydrogen 2.860 N/A THR 279.A N PRO 275.A O no hydrogen 3.263 N/A THR 279.A OG1 PRO 275.A O no hydrogen 2.823 N/A ALA 280.A N LEU 276.A O no hydrogen 3.273 N/A GLN 281.A N LEU 277.A O no hydrogen 3.502 N/A LYS 282.A N GLU 278.A O no hydrogen 3.053 N/A ILE 283.A N THR 279.A O no hydrogen 3.240 N/A ALA 284.A N ALA 280.A O no hydrogen 2.853 N/A ALA 284.A N GLN 281.A O no hydrogen 3.232 N/A GLN 285.A N GLN 281.A O no hydrogen 3.433 N/A GLU 286.A N LYS 282.A O no hydrogen 3.379 N/A LEU 289.A N SER 287.A O no hydrogen 2.540 N/A ALA 294.A N THR 290.A O no hydrogen 2.764 N/A PHE 295.A N TYR 291.A O no hydrogen 2.716 N/A ALA 298.A N ALA 294.A O no hydrogen 3.257 N/A MET 299.A N PHE 295.A O no hydrogen 3.046 N/A ASN 300.A N ALA 296.A O no hydrogen 3.488 N/A ASP 301.A N LEU 297.A O no hydrogen 3.020 N/A VAL 302.A N ALA 298.A O no hydrogen 2.934 N/A LEU 303.A N MET 299.A O no hydrogen 3.214 N/A ASP 304.A N ASN 300.A O no hydrogen 2.975 N/A GLU 305.A N ASP 301.A O no hydrogen 3.371 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 2.694 N/A ARG 308.A N GLU 305.A O no hydrogen 2.768 N/A SER 309.A N ALA 306.A O no hydrogen 2.896 N/A LEU 310.A N ALA 306.A O no hydrogen 2.845 N/A ALA 311.A N PRO 193.A O no hydrogen 2.863 N/A ILE 312.A N LEU 310.A O no hydrogen 2.793 N/A THR 317.A N PRO 313.A O no hydrogen 3.254 N/A THR 317.A OG1 LYS 314.A O no hydrogen 3.139 N/A THR 318.A N ARG 315.A O no hydrogen 3.252 N/A THR 318.A OG1 LYS 314.A O no hydrogen 2.909 N/A THR 318.A OG1 ARG 315.A O no hydrogen 3.503 N/A THR 320.A N LEU 316.A O no hydrogen 3.073 N/A THR 320.A OG1 ALA 265.A O no hydrogen 2.994 N/A THR 320.A OG1 LEU 316.A O no hydrogen 2.888 N/A ARG 321.A N THR 317.A O no hydrogen 2.949 N/A ASP 322.A N THR 318.A O no hydrogen 3.090 N/A ILE 323.A N LEU 319.A O no hydrogen 2.787 N/A TRP 324.A N THR 320.A O no hydrogen 2.936 N/A TRP 324.A NE1 ALA 269.A O no hydrogen 2.904 N/A GLN 325.A N ARG 321.A O no hydrogen 2.805 N/A LEU 326.A N ASP 322.A O no hydrogen 2.886 N/A GLN 327.A N TRP 324.A O no hydrogen 2.651 N/A GLN 327.A NE2 ILE 323.A O no hydrogen 3.514 N/A GLN 327.A NE2 ALA 350.A O no hydrogen 2.699 N/A LEU 328.A N GLN 325.A O no hydrogen 2.692 N/A ARG 329.A N GLN 325.A O no hydrogen 3.433 N/A MET 330.A N LEU 326.A O no hydrogen 2.849 N/A SER 331.A N LEU 328.A O no hydrogen 3.201 N/A ALA 338.A N GLY 335.A O no hydrogen 3.183 N/A LEU 341.A N ARG 337.A O no hydrogen 3.495 N/A LEU 342.A N ALA 338.A O no hydrogen 2.893 N/A GLU 343.A N TRP 339.A O no hydrogen 3.324 N/A GLU 343.A N LYS 340.A O no hydrogen 3.075 N/A HIS 344.A N LEU 341.A O no hydrogen 2.606 N/A LYS 346.A N HIS 344.A ND1 no hydrogen 3.257 N/A PHE 347.A N HIS 344.A O no hydrogen 3.090 N/A ALA 350.A N LYS 346.A O no hydrogen 3.215 N/A TYR 351.A N PHE 347.A O no hydrogen 2.694 N/A ASP 352.A N ARG 348.A O no hydrogen 2.821 N/A LEU 353.A N ALA 349.A O no hydrogen 2.857 N/A LEU 353.A N ALA 350.A O no hydrogen 3.123 N/A LEU 354.A N ALA 350.A O no hydrogen 2.937 N/A ALA 355.A N TYR 351.A O no hydrogen 2.653 N/A LEU 356.A N ASP 352.A O no hydrogen 3.338 N/A ARG 357.A N LEU 353.A O no hydrogen 2.915 N/A ARG 357.A NH1 GLN 327.A OE1 no hydrogen 3.208 N/A ALA 358.A N LEU 354.A O no hydrogen 3.068 N/A GLU 359.A N ALA 355.A O no hydrogen 3.185 N/A VAL 360.A N LEU 356.A O no hydrogen 2.879 N/A GLU 361.A N ARG 357.A O no hydrogen 3.129 N/A GLN 367.A N ASN 363.A O no hydrogen 3.122 N/A GLN 367.A NE2 ASN 363.A O no hydrogen 3.504 N/A VAL 370.A N LEU 366.A O no hydrogen 3.184 N/A LYS 371.A N GLN 367.A O no hydrogen 3.379 N/A TRP 372.A N ARG 368.A O no hydrogen 2.846 N/A TRP 373.A N LEU 369.A O no hydrogen 3.153 N/A GLY 374.A N VAL 370.A O no hydrogen 2.982 N/A GLU 375.A N LYS 371.A O no hydrogen 3.384 N/A PHE 376.A N TRP 372.A O no hydrogen 2.918 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 2.946 N/A SER 379.A OG GLU 375.A O no hydrogen 3.018 N/A GLN 384.A N ALA 380.A O no hydrogen 2.520 N/A GLN 384.A NE2 SER 379.A O no hydrogen 2.453 N/A LYS 385.A N PRO 381.A O no hydrogen 2.719 N/A GLY 386.A N PRO 382.A O no hydrogen 3.200 N/A MET 387.A N ASP 383.A O no hydrogen 3.035 N/A LEU 388.A N GLN 384.A O no hydrogen 3.392 N/A LEU 388.A N LYS 385.A O no hydrogen 3.184 N/A