Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hkd_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A N GLN 130.A OE1 no hydrogen 2.291 N/A ARG 1.A NH2 ASP 248.A O no hydrogen 2.790 N/A ARG 1.A NH2 ASP 248.A OD2 no hydrogen 3.133 N/A GLU 2.A N GLN 130.A OE1 no hydrogen 3.478 N/A ILE 3.A N VAL 48.A O no hydrogen 3.101 N/A VAL 4.A N GLY 131.A O no hydrogen 3.226 N/A HIS 5.A N ARG 61.A O no hydrogen 3.071 N/A ILE 6.A N GLN 133.A O no hydrogen 2.951 N/A GLN 7.A N ILE 63.A O no hydrogen 3.026 N/A ALA 8.A N THR 135.A O no hydrogen 3.247 N/A GLY 9.A N VAL 65.A O no hydrogen 3.007 N/A ASN 13.A N GLY 9.A O no hydrogen 2.369 N/A GLN 14.A N GLN 10.A O no hydrogen 3.238 N/A ILE 15.A N CYS 11.A O no hydrogen 3.249 N/A GLY 16.A N GLY 12.A O no hydrogen 3.062 N/A ALA 17.A N ASN 13.A O no hydrogen 2.767 N/A LYS 18.A NZ GLU 21.A OE1 no hydrogen 3.456 N/A PHE 19.A N ILE 15.A O no hydrogen 2.832 N/A TRP 20.A N GLY 16.A O no hydrogen 3.031 N/A TRP 20.A NE1 HIS 5.A ND1 no hydrogen 2.832 N/A GLU 21.A N ALA 17.A O no hydrogen 3.139 N/A VAL 22.A N LYS 18.A O no hydrogen 3.117 N/A VAL 22.A N PHE 19.A O no hydrogen 2.955 N/A ILE 23.A N PHE 19.A O no hydrogen 3.018 N/A SER 24.A N TRP 20.A O no hydrogen 2.777 N/A SER 24.A OG TYR 50.A OH no hydrogen 2.686 N/A ASP 25.A N GLU 21.A O no hydrogen 3.160 N/A ASP 25.A N VAL 22.A O no hydrogen 3.307 N/A GLU 26.A N VAL 22.A O no hydrogen 3.299 N/A HIS 27.A N ILE 23.A O no hydrogen 3.256 N/A GLY 28.A N SER 24.A O no hydrogen 2.900 N/A ILE 29.A N SER 24.A O no hydrogen 2.946 N/A ASP 30.A N SER 34.A O no hydrogen 3.217 N/A TYR 35.A OH SER 39.A O no hydrogen 2.268 N/A TYR 35.A OH GLN 42.A OE1 no hydrogen 2.588 N/A GLU 44.A N LEU 41.A O no hydrogen 2.955 N/A ARG 45.A N GLN 42.A O no hydrogen 3.440 N/A ILE 46.A N LEU 43.A O no hydrogen 3.391 N/A VAL 48.A N ARG 45.A O no hydrogen 3.242 N/A TYR 50.A N ILE 46.A O no hydrogen 3.153 N/A TYR 50.A OH SER 24.A OG no hydrogen 2.686 N/A ASN 51.A ND2 GLU 122.A OE1 no hydrogen 3.485 N/A ARG 61.A N TYR 49.A O no hydrogen 3.430 N/A ARG 61.A NH1 ASN 47.A O no hydrogen 3.293 N/A ARG 61.A NH2 ASN 47.A O no hydrogen 3.395 N/A ILE 63.A N HIS 5.A O no hydrogen 2.911 N/A LEU 64.A N ASN 88.A O no hydrogen 3.032 N/A VAL 65.A N GLN 7.A O no hydrogen 3.418 N/A ASP 66.A N VAL 90.A O no hydrogen 3.302 N/A MET 72.A N PRO 69.A O no hydrogen 2.795 N/A SER 74.A OG GLY 70.A O no hydrogen 3.317 N/A ARG 76.A N MET 72.A O no hydrogen 3.234 N/A SER 77.A N SER 74.A O no hydrogen 3.269 N/A GLY 78.A N VAL 75.A O no hydrogen 2.879 N/A ASN 88.A N ARG 85.A O no hydrogen 2.845 N/A ASN 88.A ND2 GLU 122.A OE2 no hydrogen 3.470 N/A VAL 90.A N LEU 64.A O no hydrogen 2.864 N/A SER 94.A N GLY 92.A O no hydrogen 2.609 N/A SER 94.A OG GLY 92.A O no hydrogen 2.769 N/A LYS 102.A N ASN 99.A OD1 no hydrogen 2.432 N/A HIS 104.A N TRP 100.A O no hydrogen 2.828 N/A HIS 104.A ND1 GLY 145.A O no hydrogen 2.841 N/A TYR 105.A N ALA 101.A O no hydrogen 2.408 N/A THR 106.A OG1 GLU 392.A OE1 no hydrogen 2.585 N/A GLY 108.A N LYS 102.A O no hydrogen 2.754 N/A GLU 110.A N THR 106.A O no hydrogen 3.181 N/A LEU 111.A N GLY 108.A O no hydrogen 2.588 N/A SER 114.A N LEU 111.A O no hydrogen 3.372 N/A LEU 116.A N VAL 112.A O no hydrogen 2.822 N/A VAL 118.A N VAL 115.A O no hydrogen 2.685 N/A VAL 119.A N VAL 115.A O no hydrogen 3.102 N/A ARG 120.A N LEU 116.A O no hydrogen 2.778 N/A LYS 121.A N VAL 118.A O no hydrogen 2.896 N/A GLU 122.A N VAL 118.A O no hydrogen 2.904 N/A GLU 122.A N VAL 119.A O no hydrogen 3.163 N/A SER 123.A N VAL 119.A O no hydrogen 2.876 N/A GLU 124.A N ARG 120.A O no hydrogen 2.997 N/A SER 125.A N GLU 122.A O no hydrogen 3.210 N/A CYS 126.A N GLU 122.A O no hydrogen 2.817 N/A CYS 126.A SG GLU 2.A OE1 no hydrogen 3.076 N/A ASP 127.A N GLU 2.A OE1 no hydrogen 2.672 N/A CYS 128.A N GLU 2.A OE2 no hydrogen 2.654 N/A CYS 128.A SG CYS 128.A O no hydrogen 2.581 N/A GLN 130.A N GLU 2.A O no hydrogen 2.540 N/A GLN 133.A N VAL 4.A O no hydrogen 3.050 N/A LEU 134.A N ASN 164.A O no hydrogen 2.747 N/A THR 135.A N ILE 6.A O no hydrogen 3.026 N/A THR 135.A OG1 GLY 12.A O no hydrogen 2.906 N/A HIS 136.A N PHE 166.A O no hydrogen 3.226 N/A LEU 138.A N VAL 168.A O no hydrogen 3.293 N/A THR 142.A OG1 ASP 66.A OD2 no hydrogen 3.487 N/A SER 144.A N GLY 140.A O no hydrogen 3.247 N/A SER 144.A OG LEU 138.A O no hydrogen 3.294 N/A SER 144.A OG GLY 140.A O no hydrogen 2.721 N/A GLY 145.A N GLY 141.A O no hydrogen 2.638 N/A MET 146.A N GLY 141.A O no hydrogen 3.196 N/A GLY 147.A N GLY 143.A O no hydrogen 2.895 N/A THR 148.A N SER 144.A O no hydrogen 3.384 N/A THR 148.A OG1 SER 144.A O no hydrogen 2.049 N/A THR 148.A OG1 GLY 145.A O no hydrogen 3.014 N/A LEU 149.A N GLY 145.A O no hydrogen 3.118 N/A LEU 150.A N MET 146.A O no hydrogen 2.449 N/A ILE 151.A N GLY 147.A O no hydrogen 2.772 N/A SER 152.A N THR 148.A O no hydrogen 3.348 N/A SER 152.A OG THR 148.A O no hydrogen 2.905 N/A LYS 153.A N LEU 149.A O no hydrogen 2.957 N/A LYS 153.A N LEU 150.A O no hydrogen 2.797 N/A ILE 154.A N LEU 150.A O no hydrogen 2.426 N/A ARG 155.A N ILE 151.A O no hydrogen 2.857 N/A ARG 155.A NH2 GLU 193.A O no hydrogen 3.551 N/A GLU 157.A N ARG 155.A O no hydrogen 2.493 N/A TYR 158.A N ILE 154.A O no hydrogen 3.032 N/A MET 163.A N ASP 196.A OD1 no hydrogen 3.213 N/A THR 165.A N GLU 197.A O no hydrogen 3.166 N/A THR 165.A OG1 SER 167.A OG no hydrogen 2.492 N/A PHE 166.A N LEU 134.A O no hydrogen 2.889 N/A SER 167.A N TYR 199.A O no hydrogen 3.213 N/A VAL 168.A N HIS 136.A O no hydrogen 3.097 N/A SER 171.A OG LYS 173.A O no hydrogen 2.611 N/A SER 171.A OG GLU 204.A OE1 no hydrogen 3.246 N/A LYS 173.A N SER 171.A OG no hydrogen 2.826 N/A SER 175.A OG SER 171.A O no hydrogen 3.467 N/A SER 175.A OG GLU 180.A OE1 no hydrogen 3.081 N/A SER 175.A OG GLU 180.A OE2 no hydrogen 2.916 N/A THR 177.A N GLU 180.A OE2 no hydrogen 2.808 N/A TYR 182.A N VAL 179.A O no hydrogen 2.623 N/A TYR 182.A OH MET 379.A O no hydrogen 3.008 N/A ASN 183.A ND2 ASN 98.A O no hydrogen 3.357 N/A ALA 184.A N GLU 180.A O no hydrogen 2.675 N/A THR 185.A N PRO 181.A O no hydrogen 3.096 N/A THR 185.A OG1 PRO 181.A O no hydrogen 2.453 N/A LEU 186.A N TYR 182.A O no hydrogen 3.316 N/A SER 187.A N ALA 184.A O no hydrogen 2.978 N/A SER 187.A OG ASN 183.A O no hydrogen 2.631 N/A SER 187.A OG ALA 184.A O no hydrogen 3.558 N/A VAL 188.A N ALA 184.A O no hydrogen 2.852 N/A HIS 189.A N THR 185.A O no hydrogen 3.431 N/A LEU 191.A N SER 187.A O no hydrogen 2.548 N/A VAL 192.A N VAL 188.A O no hydrogen 2.950 N/A GLU 193.A N GLN 190.A O no hydrogen 3.307 N/A ASN 194.A N LEU 191.A O no hydrogen 2.763 N/A ASN 194.A ND2 GLN 190.A O no hydrogen 2.825 N/A THR 195.A N LEU 191.A O no hydrogen 3.009 N/A THR 195.A OG1 LEU 191.A O no hydrogen 2.780 N/A THR 195.A OG1 THR 198.A OG1 no hydrogen 3.218 N/A ASP 196.A N MET 163.A O no hydrogen 3.271 N/A THR 198.A N HIS 263.A O no hydrogen 3.054 N/A THR 198.A OG1 THR 195.A OG1 no hydrogen 3.218 N/A TYR 199.A N THR 165.A O no hydrogen 2.898 N/A SER 200.A N PHE 265.A O no hydrogen 2.916 N/A SER 200.A OG THR 198.A O no hydrogen 3.538 N/A ILE 201.A N SER 167.A O no hydrogen 3.176 N/A ASP 202.A N MET 291.A O no hydrogen 2.893 N/A GLU 204.A N ASP 202.A OD1 no hydrogen 2.905 N/A LEU 206.A N ASP 202.A O no hydrogen 2.929 N/A TYR 207.A N ASN 203.A O no hydrogen 3.073 N/A ASP 208.A N GLU 204.A O no hydrogen 3.254 N/A ILE 209.A N ALA 205.A O no hydrogen 2.733 N/A CYS 210.A N TYR 207.A O no hydrogen 3.146 N/A CYS 210.A SG LEU 206.A O no hydrogen 3.093 N/A CYS 210.A SG ASP 223.A O no hydrogen 3.788 N/A PHE 211.A N TYR 207.A O no hydrogen 3.355 N/A ARG 212.A N ASP 208.A O no hydrogen 3.027 N/A THR 213.A OG1 ILE 209.A O no hydrogen 3.312 N/A THR 220.A N ASP 223.A OD1 no hydrogen 3.238 N/A THR 220.A OG1 ASP 223.A OD1 no hydrogen 2.609 N/A ASN 225.A N GLY 222.A O no hydrogen 2.571 N/A ASN 225.A ND2 TYR 221.A O no hydrogen 2.203 N/A HIS 226.A N GLY 222.A O no hydrogen 3.063 N/A SER 229.A N ASN 225.A O no hydrogen 2.924 N/A SER 229.A OG HIS 226.A O no hydrogen 2.506 N/A ALA 230.A N HIS 226.A O no hydrogen 3.193 N/A THR 231.A N LEU 227.A O no hydrogen 2.756 N/A THR 231.A OG1 LEU 227.A O no hydrogen 2.804 N/A MET 232.A N VAL 228.A O no hydrogen 2.708 N/A SER 233.A N SER 229.A O no hydrogen 3.148 N/A SER 233.A OG GLU 26.A OE2 no hydrogen 2.735 N/A GLY 234.A N ALA 230.A O no hydrogen 2.946 N/A VAL 235.A N THR 231.A O no hydrogen 3.052 N/A THR 236.A N MET 232.A O no hydrogen 3.203 N/A THR 236.A OG1 MET 232.A O no hydrogen 2.747 N/A THR 236.A OG1 SER 233.A O no hydrogen 2.654 N/A THR 237.A N SER 233.A O no hydrogen 3.131 N/A THR 237.A N GLY 234.A O no hydrogen 3.264 N/A THR 237.A OG1 GLY 234.A O no hydrogen 2.739 N/A LEU 239.A N THR 236.A O no hydrogen 2.696 N/A ARG 240.A N THR 237.A O no hydrogen 2.497 N/A ARG 240.A NE THR 236.A OG1 no hydrogen 3.151 N/A ARG 240.A NH2 GLU 26.A OE2 no hydrogen 2.462 N/A ARG 240.A NH2 SER 233.A OG no hydrogen 2.760 N/A ARG 250.A NH1 ASP 160.A O no hydrogen 3.402 N/A ALA 253.A N LEU 249.A O no hydrogen 3.108 N/A ALA 253.A N ARG 250.A O no hydrogen 2.649 N/A VAL 254.A N ARG 250.A O no hydrogen 2.803 N/A ASN 255.A N LYS 251.A O no hydrogen 3.090 N/A MET 256.A N ALA 253.A O no hydrogen 2.666 N/A VAL 257.A N ALA 253.A O no hydrogen 3.034 N/A MET 266.A N GLY 360.A O no hydrogen 3.099 N/A PHE 269.A N ASN 289.A O no hydrogen 3.238 N/A LEU 280.A N VAL 277.A O no hydrogen 3.079 N/A THR 281.A N VAL 277.A O no hydrogen 2.725 N/A THR 281.A OG1 VAL 277.A O no hydrogen 2.700 N/A GLN 282.A N PRO 278.A O no hydrogen 2.969 N/A MET 284.A N LEU 280.A O no hydrogen 3.223 N/A MET 284.A N THR 281.A O no hydrogen 3.209 N/A PHE 285.A N THR 281.A O no hydrogen 3.236 N/A LYS 288.A N ASP 286.A OD1 no hydrogen 3.331 N/A MET 290.A N SER 287.A O no hydrogen 2.689 N/A MET 291.A N PRO 267.A O no hydrogen 2.377 N/A CYS 294.A SG ALA 364.A O no hydrogen 3.339 N/A ARG 297.A N ASP 295.A O no hydrogen 2.356 N/A ARG 297.A NE ASN 328.A OD1 no hydrogen 3.514 N/A ARG 300.A NH2 GLU 334.A OE1 no hydrogen 3.493 N/A TYR 301.A N TYR 331.A O no hydrogen 3.111 N/A LEU 302.A N ASN 361.A O no hydrogen 3.005 N/A THR 303.A OG1 MET 256.A O no hydrogen 2.722 N/A VAL 304.A N ASN 339.A O no hydrogen 3.225 N/A ALA 305.A N ILE 359.A O no hydrogen 3.230 N/A VAL 307.A N THR 357.A O no hydrogen 3.095 N/A PHE 308.A N ALA 343.A O no hydrogen 3.029 N/A ARG 309.A N SER 355.A O no hydrogen 2.708 N/A ARG 309.A NH2 GLU 26.A OE2 no hydrogen 3.052 N/A GLU 316.A N SER 313.A O no hydrogen 3.057 N/A GLU 316.A N SER 313.A OG no hydrogen 3.157 N/A ASP 318.A N MET 314.A O no hydrogen 3.207 N/A GLN 320.A N GLU 316.A O no hydrogen 2.964 N/A MET 321.A N VAL 317.A O no hydrogen 2.780 N/A LEU 322.A N ASP 318.A O no hydrogen 2.855 N/A ASN 323.A N GLU 319.A O no hydrogen 3.383 N/A VAL 324.A N GLN 320.A O no hydrogen 3.092 N/A VAL 324.A N MET 321.A O no hydrogen 3.148 N/A GLN 325.A N MET 321.A O no hydrogen 3.431 N/A GLN 325.A NE2 VAL 340.A O no hydrogen 3.664 N/A ASN 326.A N ASN 323.A O no hydrogen 3.198 N/A LYS 327.A N ASN 323.A O no hydrogen 2.800 N/A ASN 328.A N VAL 324.A O no hydrogen 2.711 N/A ASN 328.A ND2 LYS 327.A O no hydrogen 3.408 N/A PHE 332.A N SER 330.A O no hydrogen 3.012 N/A VAL 333.A N TYR 301.A O no hydrogen 3.207 N/A ASN 339.A ND2 PRO 337.A O no hydrogen 3.177 N/A ALA 343.A N ALA 306.A O no hydrogen 3.200 N/A VAL 344.A N GLN 244.A OE1 no hydrogen 3.229 N/A CYS 345.A N PHE 308.A O no hydrogen 2.907 N/A ASP 346.A N ASP 346.A OD2 no hydrogen 2.455 N/A SER 355.A N ARG 309.A O no hydrogen 2.865 N/A THR 357.A N VAL 307.A O no hydrogen 2.999 N/A PHE 358.A N GLY 268.A O no hydrogen 2.962 N/A ILE 359.A N ALA 305.A O no hydrogen 3.027 N/A SER 362.A N GLY 360.A O no hydrogen 2.851 N/A THR 363.A N ARG 300.A O no hydrogen 3.440 N/A THR 363.A OG1 ARG 300.A O no hydrogen 3.283 N/A ALA 364.A N SER 362.A OG no hydrogen 3.159 N/A ILE 365.A N SER 362.A O no hydrogen 2.783 N/A GLN 366.A N THR 363.A O no hydrogen 3.083 N/A GLU 367.A N ALA 364.A O no hydrogen 2.911 N/A LEU 368.A N ILE 365.A O no hydrogen 2.771 N/A PHE 369.A N ILE 365.A O no hydrogen 3.313 N/A LYS 370.A N GLN 366.A O no hydrogen 3.085 N/A ARG 371.A N LEU 368.A O no hydrogen 2.869 N/A ARG 371.A NH1 GLU 204.A OE1 no hydrogen 3.381 N/A ARG 371.A NH2 GLU 204.A OE1 no hydrogen 3.194 N/A ILE 372.A N LEU 368.A O no hydrogen 3.382 N/A ILE 372.A N PHE 369.A O no hydrogen 3.040 N/A SER 373.A N PHE 369.A O no hydrogen 2.896 N/A SER 373.A OG ASN 407.A OD1 no hydrogen 3.129 N/A GLU 374.A N LYS 370.A O no hydrogen 2.939 N/A GLN 375.A NE2 ARG 371.A O no hydrogen 3.287 N/A THR 377.A N SER 373.A O no hydrogen 3.248 N/A THR 377.A OG1 SER 373.A O no hydrogen 3.184 N/A THR 377.A OG1 GLU 403.A OE1 no hydrogen 2.956 N/A MET 379.A N PHE 376.A O no hydrogen 2.781 N/A PHE 380.A N PHE 376.A O no hydrogen 2.787 N/A ARG 381.A N THR 377.A O no hydrogen 2.910 N/A ARG 381.A NE THR 377.A O no hydrogen 3.409 N/A LYS 383.A N PHE 380.A O no hydrogen 3.068 N/A ALA 384.A N MET 379.A O no hydrogen 3.207 N/A HIS 387.A N ALA 384.A O no hydrogen 3.426 N/A TRP 388.A N PHE 385.A O no hydrogen 3.195 N/A TYR 389.A N LEU 386.A O no hydrogen 2.722 N/A THR 390.A N LEU 386.A O no hydrogen 2.949 N/A GLY 393.A N THR 390.A O no hydrogen 3.471 N/A MET 394.A N TYR 389.A O no hydrogen 3.416 N/A GLU 398.A N ASP 395.A O no hydrogen 2.738 N/A THR 400.A OG1 MET 397.A O no hydrogen 3.557 N/A GLU 401.A N MET 397.A O no hydrogen 2.676 N/A ALA 402.A N PHE 399.A O no hydrogen 2.908 N/A GLU 403.A N PHE 399.A O no hydrogen 2.812 N/A SER 404.A N THR 400.A O no hydrogen 3.133 N/A ASN 407.A N GLU 403.A O no hydrogen 3.339 N/A ASP 408.A N SER 404.A O no hydrogen 3.098 N/A LEU 409.A N ASN 405.A O no hydrogen 3.414 N/A VAL 410.A N MET 406.A O no hydrogen 2.845 N/A GLN 414.A N VAL 410.A O no hydrogen 3.100 N/A TYR 416.A N TYR 413.A O no hydrogen 3.141 N/A GLN 417.A NE2 TYR 416.A O no hydrogen 3.186 N/A