Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8kd3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH2 ILE 287.A O no hydrogen 2.986 N/A ARG 4.A NE LYS 122.A O no hydrogen 3.041 N/A ARG 4.A NH2 GLY 121.A O no hydrogen 2.492 N/A ALA 6.A N VAL 125.A O no hydrogen 2.907 N/A TYR 7.A N GLU 46.A O no hydrogen 3.039 N/A PHE 8.A N VAL 127.A O no hydrogen 2.987 N/A ASP 12.A N ASP 10.A OD1 no hydrogen 3.063 N/A LYS 25.A NZ HIS 22.A O no hydrogen 2.362 N/A ARG 28.A NE GLY 295.A O no hydrogen 3.499 N/A ARG 28.A NH1 LYS 25.A O no hydrogen 2.418 N/A ARG 28.A NH2 GLY 295.A O no hydrogen 3.411 N/A ILE 29.A N PRO 26.A O no hydrogen 3.454 N/A ALA 32.A N ARG 28.A O no hydrogen 2.927 N/A HIS 33.A N ILE 29.A O no hydrogen 2.904 N/A SER 34.A N ARG 30.A O no hydrogen 2.922 N/A SER 34.A OG GLU 326.A OE1 no hydrogen 2.899 N/A LEU 35.A N MET 31.A O no hydrogen 2.891 N/A ILE 36.A N ALA 32.A O no hydrogen 2.919 N/A MET 37.A N HIS 33.A O no hydrogen 2.966 N/A ASN 38.A N SER 34.A O no hydrogen 2.886 N/A ASN 38.A ND2 SER 34.A O no hydrogen 2.392 N/A ASN 38.A ND2 ALA 386.A O no hydrogen 3.371 N/A TYR 39.A N ILE 36.A O no hydrogen 3.337 N/A GLY 40.A N MET 37.A O no hydrogen 3.451 N/A GLU 46.A N VAL 5.A O no hydrogen 3.496 N/A TYR 48.A N TYR 7.A O no hydrogen 3.080 N/A ARG 49.A N THR 379.A O no hydrogen 3.076 N/A ARG 49.A NH2 ASP 10.A OD1 no hydrogen 3.221 N/A LYS 51.A NZ PRO 52.A O no hydrogen 3.115 N/A ALA 53.A N SER 105.A O no hydrogen 2.857 N/A THR 54.A OG1 GLU 57.A OE2 no hydrogen 2.775 N/A GLN 56.A NE2 GLU 370.A OE1 no hydrogen 2.729 N/A MET 58.A N THR 54.A O no hydrogen 3.159 N/A CYS 59.A N GLN 56.A O no hydrogen 3.148 N/A CYS 59.A SG LYS 55.A O no hydrogen 3.309 N/A CYS 59.A SG THR 63.A O no hydrogen 3.942 N/A CYS 59.A SG ASP 64.A OD1 no hydrogen 3.216 N/A GLN 60.A NE2 GLU 57.A O no hydrogen 3.571 N/A THR 63.A OG1 SER 139.A OG no hydrogen 3.146 N/A TYR 66.A N THR 63.A OG1 no hydrogen 3.198 N/A TYR 66.A OH TYR 146.A O no hydrogen 2.492 N/A ILE 67.A N THR 63.A O no hydrogen 3.209 N/A ASP 68.A N ASP 64.A O no hydrogen 2.933 N/A PHE 69.A N GLU 65.A O no hydrogen 2.860 N/A LEU 70.A N TYR 66.A O no hydrogen 2.917 N/A SER 71.A N ILE 67.A O no hydrogen 2.904 N/A SER 71.A OG ILE 67.A O no hydrogen 3.274 N/A SER 71.A OG ASP 68.A O no hydrogen 2.677 N/A ARG 72.A N ASP 68.A O no hydrogen 2.926 N/A ARG 72.A NE ASP 68.A OD2 no hydrogen 2.781 N/A SER 85.A OG VAL 90.A O no hydrogen 2.428 N/A VAL 86.A N LYS 82.A O no hydrogen 3.475 N/A LYS 87.A NZ GLU 65.A OE1 no hydrogen 3.546 N/A LYS 87.A NZ GLU 65.A OE2 no hydrogen 2.774 N/A PHE 88.A N GLU 84.A O no hydrogen 3.303 N/A ASN 89.A ND2 GLU 140.A OE2 no hydrogen 2.867 N/A VAL 90.A N SER 85.A O no hydrogen 2.629 N/A GLY 91.A N CYS 94.A O no hydrogen 2.552 N/A CYS 94.A SG ASN 89.A O no hydrogen 4.046 N/A TYR 103.A N GLY 99.A O no hydrogen 2.843 N/A CYS 104.A N LEU 100.A O no hydrogen 2.935 N/A CYS 104.A SG LEU 100.A O no hydrogen 3.307 N/A SER 105.A N TYR 101.A O no hydrogen 2.901 N/A SER 105.A OG TYR 101.A O no hydrogen 3.292 N/A SER 105.A OG GLU 102.A O no hydrogen 2.561 N/A ILE 106.A N GLU 102.A O no hydrogen 2.927 N/A SER 107.A N TYR 103.A O no hydrogen 2.950 N/A SER 107.A OG ASP 149.A OD2 no hydrogen 2.584 N/A GLY 108.A N CYS 104.A O no hydrogen 2.917 N/A GLY 109.A N SER 105.A O no hydrogen 2.894 N/A GLY 110.A N ILE 106.A O no hydrogen 2.912 N/A SER 111.A N SER 107.A O no hydrogen 2.962 N/A SER 111.A OG ASP 149.A O no hydrogen 3.567 N/A SER 111.A OG ASP 149.A OD2 no hydrogen 2.783 N/A MET 112.A N GLY 108.A O no hydrogen 2.922 N/A GLU 113.A N GLY 109.A O no hydrogen 2.884 N/A GLY 114.A N GLY 110.A O no hydrogen 2.928 N/A ALA 115.A N SER 111.A O no hydrogen 2.984 N/A ALA 116.A N MET 112.A O no hydrogen 2.852 N/A ARG 117.A N GLU 113.A O no hydrogen 2.900 N/A ARG 117.A NE ASP 378.A OD2 no hydrogen 3.319 N/A ARG 117.A NH2 ASP 378.A OD1 no hydrogen 2.961 N/A ARG 117.A NH2 ASP 378.A OD2 no hydrogen 3.224 N/A LEU 118.A N GLY 114.A O no hydrogen 2.946 N/A ASN 119.A N ALA 115.A O no hydrogen 2.903 N/A ASN 119.A ND2 GLU 156.A O no hydrogen 2.563 N/A ARG 120.A N ALA 116.A O no hydrogen 2.895 N/A CYS 123.A SG VAL 125.A O no hydrogen 3.418 N/A ASP 124.A N ARG 4.A O no hydrogen 2.998 N/A VAL 125.A N ARG 4.A O no hydrogen 3.244 N/A ALA 126.A N MET 289.A O no hydrogen 3.069 N/A VAL 127.A N ALA 6.A O no hydrogen 2.994 N/A ASN 128.A N VAL 291.A O no hydrogen 2.674 N/A ASN 128.A ND2 SER 107.A O no hydrogen 3.667 N/A TYR 129.A OH TRP 306.A O no hydrogen 3.097 N/A TYR 129.A OH THR 310.A OG1 no hydrogen 3.357 N/A HIS 134.A ND1 TYR 166.A OH no hydrogen 3.157 N/A HIS 135.A NE2 HIS 172.A O no hydrogen 2.553 N/A LYS 137.A N GLU 140.A O no hydrogen 2.835 N/A LYS 137.A NZ GLU 179.A OE1 no hydrogen 2.598 N/A SER 139.A OG THR 63.A OG1 no hydrogen 3.146 N/A ALA 141.A N PHE 88.A O no hydrogen 3.016 N/A SER 142.A OG HIS 135.A O no hydrogen 2.941 N/A CYS 145.A N SER 142.A O no hydrogen 2.953 N/A CYS 145.A SG GLY 143.A O no hydrogen 3.271 N/A ASN 148.A N HIS 62.A NE2 no hydrogen 3.039 N/A ASP 149.A N LEU 147.A O no hydrogen 3.046 N/A GLY 153.A N ASP 149.A O no hydrogen 2.920 N/A ILE 154.A N ILE 150.A O no hydrogen 2.888 N/A ILE 155.A N VAL 151.A O no hydrogen 2.915 N/A GLU 156.A N LEU 152.A O no hydrogen 2.924 N/A LEU 157.A N GLY 153.A O no hydrogen 2.901 N/A LEU 158.A N ILE 154.A O no hydrogen 2.841 N/A ARG 159.A N ILE 155.A O no hydrogen 2.985 N/A ARG 159.A NH1 GLN 60.A OE1 no hydrogen 3.000 N/A ARG 159.A NH1 GLU 156.A OE1 no hydrogen 3.111 N/A ARG 159.A NH2 GLN 60.A OE1 no hydrogen 3.225 N/A TYR 160.A N LEU 157.A O no hydrogen 3.130 N/A HIS 161.A N LEU 157.A O no hydrogen 2.615 N/A HIS 161.A ND1 ASN 119.A OD1 no hydrogen 2.810 N/A VAL 164.A N ARG 186.A O no hydrogen 3.416 N/A LEU 165.A N ALA 250.A O no hydrogen 2.864 N/A TYR 166.A N MET 188.A O no hydrogen 3.085 N/A ILE 167.A N VAL 252.A O no hydrogen 2.583 N/A ASP 168.A N CYS 190.A O no hydrogen 3.035 N/A ASP 175.A N ASP 175.A OD1 no hydrogen 2.354 N/A GLU 179.A N ASP 175.A O no hydrogen 2.902 N/A ALA 180.A N GLY 176.A O no hydrogen 2.875 N/A PHE 181.A N VAL 177.A O no hydrogen 2.917 N/A ARG 186.A N THR 184.A OG1 no hydrogen 3.321 N/A MET 188.A N VAL 164.A O no hydrogen 3.306 N/A THR 189.A N TYR 216.A O no hydrogen 3.185 N/A CYS 190.A N TYR 166.A O no hydrogen 2.894 N/A SER 191.A N VAL 218.A O no hydrogen 3.013 N/A SER 191.A OG ASP 168.A OD2 no hydrogen 3.258 N/A PHE 192.A N ASP 168.A O no hydrogen 2.845 N/A HIS 193.A N VAL 220.A O no hydrogen 3.315 N/A HIS 193.A ND1 LYS 194.A O no hydrogen 2.998 N/A LYS 194.A NZ TYR 195.A O no hydrogen 2.758 N/A LYS 194.A NZ GLY 196.A O no hydrogen 3.152 N/A TYR 195.A N LEU 222.A O no hydrogen 3.448 N/A TYR 195.A OH GLY 201.A O no hydrogen 2.933 N/A TYR 195.A OH GLU 204.A OE2 no hydrogen 2.800 N/A THR 202.A OG1 PRO 200.A O no hydrogen 3.253 N/A ASP 207.A N GLU 204.A O no hydrogen 3.303 N/A GLY 213.A N VAL 210.A O no hydrogen 3.244 N/A LYS 214.A N GLY 211.A O no hydrogen 3.415 N/A TYR 216.A N ILE 208.A O no hydrogen 2.830 N/A VAL 218.A N THR 189.A O no hydrogen 2.542 N/A ASN 219.A ND2 HIS 193.A NE2 no hydrogen 3.363 N/A VAL 220.A N SER 191.A O no hydrogen 3.031 N/A LEU 222.A N HIS 193.A O no hydrogen 2.703 N/A ARG 223.A N ASN 348.A OD1 no hydrogen 2.958 N/A ARG 223.A NH1 VAL 347.A O no hydrogen 3.301 N/A GLY 225.A N CYS 267.A O no hydrogen 3.000 N/A ASP 227.A N ASP 227.A OD1 no hydrogen 2.533 N/A THR 230.A OG1 ASP 227.A O no hydrogen 3.430 N/A THR 230.A OG1 ASP 227.A OD1 no hydrogen 2.676 N/A TYR 231.A N ASP 227.A O no hydrogen 3.182 N/A ARG 232.A N ASP 228.A O no hydrogen 2.894 N/A SER 233.A N ALA 229.A O no hydrogen 2.920 N/A SER 233.A OG THR 230.A O no hydrogen 2.806 N/A VAL 234.A N THR 230.A O no hydrogen 2.898 N/A PHE 235.A N TYR 231.A O no hydrogen 2.875 N/A PHE 235.A N ARG 232.A O no hydrogen 3.233 N/A GLU 236.A N ARG 232.A O no hydrogen 2.924 N/A ILE 239.A N PHE 235.A O no hydrogen 2.877 N/A LYS 240.A N GLU 236.A O no hydrogen 2.937 N/A LYS 241.A N PRO 237.A O no hydrogen 2.908 N/A ILE 242.A N VAL 238.A O no hydrogen 2.890 N/A MET 243.A N ILE 239.A O no hydrogen 2.910 N/A GLU 244.A N LYS 240.A O no hydrogen 2.889 N/A TRP 245.A N LYS 241.A O no hydrogen 2.913 N/A TYR 246.A N ILE 242.A O no hydrogen 2.817 N/A TYR 246.A OH VAL 164.A O no hydrogen 3.411 N/A GLN 247.A NE2 GLU 244.A O no hydrogen 2.376 N/A SER 249.A N ARG 163.A O no hydrogen 2.970 N/A ALA 250.A N ARG 163.A O no hydrogen 3.252 N/A VAL 251.A N PRO 288.A O no hydrogen 3.212 N/A VAL 252.A N LEU 165.A O no hydrogen 2.673 N/A LEU 253.A N MET 290.A O no hydrogen 2.584 N/A GLN 254.A N ILE 167.A O no hydrogen 3.020 N/A GLN 254.A NE2 GLY 132.A O no hydrogen 2.469 N/A SER 259.A OG ILE 169.A O no hydrogen 3.415 N/A LEU 260.A N GLY 257.A O no hydrogen 3.247 N/A SER 261.A OG ARG 340.A O no hydrogen 3.009 N/A ASN 269.A ND2 SER 342.A O no hydrogen 2.666 N/A SER 271.A N ASP 228.A OD1 no hydrogen 3.137 N/A SER 271.A OG ASP 228.A OD2 no hydrogen 2.993 N/A HIS 275.A N SER 271.A O no hydrogen 3.133 N/A HIS 275.A ND1 GLU 309.A OE2 no hydrogen 3.310 N/A ALA 276.A N GLU 273.A O no hydrogen 3.262 N/A ASN 277.A N GLU 273.A O no hydrogen 2.896 N/A CYS 278.A SG GLY 274.A O no hydrogen 3.381 N/A ASN 280.A N ALA 276.A O no hydrogen 2.927 N/A TYR 281.A N ASN 277.A O no hydrogen 2.863 N/A VAL 282.A N CYS 278.A O no hydrogen 2.933 N/A LYS 283.A N VAL 279.A O no hydrogen 2.883 N/A LYS 283.A NZ ASN 280.A OD1 no hydrogen 3.459 N/A LYS 283.A NZ LEU 312.A O no hydrogen 3.428 N/A LYS 283.A NZ ASN 315.A OD1 no hydrogen 2.433 N/A SER 284.A N ASN 280.A O no hydrogen 2.917 N/A SER 284.A OG ASN 280.A O no hydrogen 2.751 N/A GLY 286.A N LYS 283.A O no hydrogen 3.327 N/A MET 289.A N ASP 124.A O no hydrogen 3.413 N/A MET 290.A N VAL 251.A O no hydrogen 2.381 N/A VAL 291.A N ALA 126.A O no hydrogen 2.528 N/A VAL 292.A N LEU 253.A O no hydrogen 2.882 N/A GLY 293.A N ASN 128.A O no hydrogen 3.345 N/A TYR 297.A N ASP 258.A OD1 no hydrogen 3.261 N/A TYR 297.A OH HIS 172.A ND1 no hydrogen 3.050 N/A THR 298.A OG1 ASN 301.A OD1 no hydrogen 2.829 N/A ALA 303.A N MET 299.A O no hydrogen 2.951 N/A THR 305.A N ASN 301.A O no hydrogen 2.932 N/A TRP 306.A N VAL 302.A O no hydrogen 2.909 N/A CYS 307.A N ALA 303.A O no hydrogen 2.948 N/A CYS 307.A SG LEU 35.A O no hydrogen 3.887 N/A PHE 308.A N ARG 304.A O no hydrogen 2.906 N/A GLU 309.A N THR 305.A O no hydrogen 2.880 N/A THR 310.A N TRP 306.A O no hydrogen 2.950 N/A THR 310.A OG1 TYR 129.A OH no hydrogen 3.357 N/A THR 310.A OG1 TRP 306.A O no hydrogen 3.273 N/A GLY 311.A N CYS 307.A O no hydrogen 2.888 N/A LEU 312.A N PHE 308.A O no hydrogen 2.903 N/A LEU 313.A N GLU 309.A O no hydrogen 2.915 N/A ASN 314.A N THR 310.A O no hydrogen 2.908 N/A ASN 314.A N GLY 311.A O no hydrogen 3.207 N/A ASN 315.A N LEU 312.A O no hydrogen 3.254 N/A ASN 315.A ND2 ASP 1.A O no hydrogen 2.452 N/A VAL 316.A N GLY 311.A O no hydrogen 3.287 N/A LYS 320.A NZ GLU 273.A OE2 no hydrogen 3.289 N/A ASN 325.A ND2 TYR 331.A OH no hydrogen 3.246 N/A GLU 326.A N GLU 326.A OE1 no hydrogen 2.681 N/A TYR 335.A N GLY 332.A O no hydrogen 3.090 N/A LEU 337.A N LYS 320.A O no hydrogen 3.150 N/A ARG 340.A NH1 ASP 334.A OD2 no hydrogen 3.060 N/A SER 342.A N ASN 269.A OD1 no hydrogen 2.976 N/A SER 342.A OG ASN 269.A OD1 no hydrogen 2.380 N/A GLU 351.A N GLU 351.A OE2 no hydrogen 3.150 N/A TYR 352.A N THR 349.A OG1 no hydrogen 3.029 N/A TYR 352.A OH PRO 221.A O no hydrogen 2.840 N/A LEU 353.A N THR 349.A O no hydrogen 3.249 N/A ASP 354.A N PRO 350.A O no hydrogen 2.883 N/A LYS 355.A N GLU 351.A O no hydrogen 2.906 N/A VAL 356.A N TYR 352.A O no hydrogen 2.935 N/A MET 357.A N LEU 353.A O no hydrogen 2.862 N/A THR 358.A N ASP 354.A O no hydrogen 2.902 N/A THR 358.A OG1 ASP 354.A O no hydrogen 3.091 N/A THR 358.A OG1 LYS 355.A O no hydrogen 2.648 N/A ASN 359.A N LYS 355.A O no hydrogen 2.950 N/A ILE 360.A N VAL 356.A O no hydrogen 2.898 N/A PHE 361.A N MET 357.A O no hydrogen 2.889 N/A ALA 362.A N THR 358.A O no hydrogen 2.903 N/A ASN 363.A N ASN 359.A O no hydrogen 2.930 N/A ASN 363.A ND2 LEU 205.A O no hydrogen 2.977 N/A LEU 364.A N ILE 360.A O no hydrogen 2.865 N/A THR 367.A N LEU 364.A O no hydrogen 3.164 N/A THR 367.A OG1 LEU 364.A O no hydrogen 2.636 N/A SER 373.A N GLU 370.A O no hydrogen 3.368 N/A SER 373.A OG GLU 370.A OE2 no hydrogen 3.289 N/A LYS 377.A N GLU 113.A OE2 no hydrogen 3.202 N/A LYS 377.A NZ ASP 372.A OD2 no hydrogen 2.764 N/A THR 379.A N ARG 49.A O no hydrogen 3.151 N/A GLN 384.A NE2 GLY 381.A O no hydrogen 2.719 N/A ARG 387.A NE TYR 42.A OH no hydrogen 2.967 N/A ASP 388.A N ASN 38.A OD1 no hydrogen 3.011 N/A