Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3m99_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A SG HIS 5.A ND1 no hydrogen 3.183 N/A GLN 8.A N PRO 4.A O no hydrogen 2.623 N/A VAL 9.A N HIS 5.A O no hydrogen 2.902 N/A PHE 10.A N ILE 6.A O no hydrogen 2.717 N/A GLN 11.A N GLN 8.A O no hydrogen 3.056 N/A SER 15.A N ASN 12.A O no hydrogen 3.082 N/A SER 15.A OG ASN 12.A OD1 no hydrogen 2.968 N/A LYS 16.A N ASN 12.A O no hydrogen 3.409 N/A GLY 18.A N SER 15.A O no hydrogen 2.863 N/A VAL 19.A N SER 15.A O no hydrogen 2.767 N/A LEU 20.A N LYS 16.A O no hydrogen 2.901 N/A LYS 21.A N GLY 18.A O no hydrogen 3.092 N/A THR 22.A N GLY 18.A O no hydrogen 3.190 N/A THR 22.A OG1 GLY 18.A O no hydrogen 2.916 N/A CYS 23.A N VAL 19.A O no hydrogen 3.266 N/A CYS 23.A SG VAL 19.A O no hydrogen 3.465 N/A ASN 24.A ND2 ALA 111.A O no hydrogen 2.799 N/A ALA 25.A N LYS 21.A O no hydrogen 3.082 N/A ALA 26.A N THR 22.A O no hydrogen 2.742 N/A ARG 27.A N CYS 23.A O no hydrogen 2.636 N/A ARG 27.A NE GLY 91.A O no hydrogen 2.507 N/A ARG 27.A NH1 ILE 108.A O no hydrogen 3.501 N/A ARG 27.A NH2 GLY 91.A O no hydrogen 2.951 N/A ARG 27.A NH2 ILE 108.A O no hydrogen 3.419 N/A TYR 28.A N ASN 24.A O no hydrogen 3.087 N/A ILE 29.A N ALA 25.A O no hydrogen 2.983 N/A LEU 30.A N ALA 26.A O no hydrogen 3.015 N/A ASN 31.A N ARG 27.A O no hydrogen 2.962 N/A ASN 31.A N TYR 28.A O no hydrogen 2.799 N/A HIS 32.A N ILE 29.A O no hydrogen 3.458 N/A SER 33.A OG VAL 34.A O no hydrogen 3.464 N/A LYS 38.A N VAL 34.A O no hydrogen 2.768 N/A LYS 38.A N PRO 35.A O no hydrogen 3.198 N/A PHE 39.A N LYS 36.A O no hydrogen 3.305 N/A LEU 40.A N LYS 36.A O no hydrogen 3.296 N/A ASN 41.A ND2 GLU 37.A O no hydrogen 2.891 N/A THR 42.A OG1 LYS 38.A O no hydrogen 2.619 N/A THR 42.A OG1 SER 88.A OG no hydrogen 3.268 N/A MET 43.A N PHE 39.A O no hydrogen 3.161 N/A CYS 45.A N GLU 50.A O no hydrogen 3.011 N/A CYS 45.A SG CYS 65.A O no hydrogen 4.041 N/A CYS 45.A SG HIS 72.A ND1 no hydrogen 3.855 N/A GLY 46.A N CYS 65.A O no hydrogen 2.717 N/A ASN 52.A N MET 43.A O no hydrogen 3.103 N/A SER 53.A OG HIS 70.A ND1 no hydrogen 3.069 N/A PHE 57.A N GLY 66.A O no hydrogen 3.091 N/A MET 58.A N ILE 86.A O no hydrogen 3.032 N/A CYS 59.A N PHE 64.A O no hydrogen 2.787 N/A CYS 59.A SG HIS 76.A NE2 no hydrogen 3.410 N/A CYS 59.A SG HIS 82.A ND1 no hydrogen 3.021 N/A LEU 60.A N PHE 84.A O no hydrogen 2.963 N/A CYS 62.A SG HIS 82.A ND1 no hydrogen 4.044 N/A CYS 65.A SG ASN 41.A O no hydrogen 3.638 N/A GLY 66.A N PHE 57.A O no hydrogen 3.131 N/A CYS 67.A SG SER 53.A OG no hydrogen 3.693 N/A CYS 67.A SG HIS 70.A ND1 no hydrogen 3.766 N/A CYS 67.A SG HIS 72.A ND1 no hydrogen 3.184 N/A SER 71.A N TRP 68.A O no hydrogen 2.718 N/A SER 75.A N SER 71.A O no hydrogen 3.314 N/A HIS 76.A N HIS 72.A O no hydrogen 2.869 N/A SER 77.A N LEU 74.A O no hydrogen 2.799 N/A SER 77.A OG LEU 74.A O no hydrogen 2.715 N/A LYS 78.A N SER 75.A O no hydrogen 2.728 N/A GLN 79.A N SER 75.A O no hydrogen 2.743 N/A HIS 82.A N SER 77.A O no hydrogen 3.242 N/A GLY 85.A N PHE 94.A O no hydrogen 3.174 N/A ILE 86.A N MET 58.A O no hydrogen 3.068 N/A ASN 87.A N LEU 92.A O no hydrogen 2.846 N/A ASN 87.A ND2 ASN 90.A OD1 no hydrogen 2.434 N/A SER 88.A N THR 56.A O no hydrogen 2.961 N/A SER 88.A OG THR 42.A O no hydrogen 2.582 N/A ASN 90.A N ASN 87.A O no hydrogen 3.205 N/A GLY 91.A N ASN 87.A O no hydrogen 2.824 N/A PHE 94.A N GLY 85.A O no hydrogen 2.676 N/A CYS 95.A N ASP 100.A O no hydrogen 3.131 N/A CYS 95.A SG HIS 5.A ND1 no hydrogen 3.761 N/A PHE 96.A N ILE 83.A O no hydrogen 2.708 N/A CYS 98.A SG HIS 5.A ND1 no hydrogen 3.433 N/A GLU 99.A N CYS 95.A O no hydrogen 2.836 N/A TYR 101.A N ASP 100.A OD1 no hydrogen 2.669 N/A ILE 102.A N LEU 93.A O no hydrogen 2.970 N/A ASN 109.A N ILE 105.A O no hydrogen 3.222 N/A ASP 110.A N ASP 106.A O no hydrogen 2.631 N/A LEU 113.A N ASP 110.A O no hydrogen 2.784 N/A ALA 114.A N ALA 111.A O no hydrogen 3.071 N/A VAL 120.A N TYR 116.A O no hydrogen 3.165 N/A CYS 121.A N TRP 117.A O no hydrogen 2.788 N/A CYS 121.A SG TRP 117.A O no hydrogen 3.601 N/A THR 122.A N ASP 118.A O no hydrogen 3.295 N/A THR 122.A OG1 ASP 118.A O no hydrogen 3.543 N/A LYS 123.A N ASP 119.A O no hydrogen 3.299 N/A ARG 131.A N SER 128.A O no hydrogen 2.659 N/A ARG 131.A NH2 LEU 135.A O no hydrogen 2.928 N/A ARG 132.A N MET 129.A O no hydrogen 3.380 N/A ARG 132.A NH1 MET 129.A O no hydrogen 2.815 N/A GLY 134.A N ARG 131.A O no hydrogen 3.262 N/A SER 136.A OG GLY 137.A O no hydrogen 3.231 N/A LEU 138.A N ASP 395.A O no hydrogen 2.942 N/A ILE 139.A N GLN 199.A OE1 no hydrogen 2.921 N/A ASN 140.A ND2 ASP 395.A OD1 no hydrogen 3.395 N/A MET 141.A N THR 144.A OG1 no hydrogen 2.957 N/A GLY 142.A N ASN 140.A OD1 no hydrogen 2.777 N/A CYS 145.A SG HIS 378.A ND1 no hydrogen 3.812 N/A MET 147.A N THR 144.A O no hydrogen 3.413 N/A SER 148.A N THR 144.A O no hydrogen 2.982 N/A SER 149.A N CYS 145.A O no hydrogen 2.943 N/A SER 149.A OG CYS 145.A O no hydrogen 2.693 N/A ILE 150.A N MET 147.A O no hydrogen 2.778 N/A LEU 151.A N MET 147.A O no hydrogen 2.737 N/A GLN 152.A N SER 148.A O no hydrogen 3.213 N/A GLN 152.A NE2 SER 136.A O no hydrogen 2.724 N/A CYS 153.A SG SER 149.A O no hydrogen 3.849 N/A LEU 154.A N ILE 150.A O no hydrogen 3.231 N/A ILE 155.A N LEU 151.A O no hydrogen 2.605 N/A ASN 157.A N LEU 154.A O no hydrogen 2.885 N/A ILE 161.A N ASN 157.A O no hydrogen 2.850 N/A ARG 162.A N PRO 158.A O no hydrogen 3.115 N/A HIS 163.A N TYR 159.A O no hydrogen 2.983 N/A SER 164.A N PHE 160.A O no hydrogen 2.862 N/A SER 164.A OG ASP 184.A OD2 no hydrogen 3.119 N/A MET 165.A N ILE 161.A O no hydrogen 2.917 N/A SER 166.A N ARG 162.A O no hydrogen 2.957 N/A SER 166.A OG ARG 162.A O no hydrogen 2.997 N/A GLN 167.A N SER 164.A O no hydrogen 2.932 N/A GLN 167.A NE2 MET 165.A O no hydrogen 3.189 N/A ASN 171.A N GLN 167.A O no hydrogen 3.162 N/A ASN 172.A N HIS 169.A O no hydrogen 3.026 N/A CYS 173.A SG HIS 169.A NE2 no hydrogen 3.469 N/A CYS 178.A SG HIS 169.A NE2 no hydrogen 4.045 N/A SER 180.A OG SER 231.A OG no hydrogen 2.620 N/A CYS 181.A SG HIS 169.A NE2 no hydrogen 3.594 N/A ALA 182.A N CYS 178.A O no hydrogen 3.325 N/A ALA 182.A N PHE 179.A O no hydrogen 3.073 N/A LEU 183.A N PHE 179.A O no hydrogen 3.327 N/A ASP 184.A N SER 180.A O no hydrogen 3.277 N/A LYS 185.A N CYS 181.A O no hydrogen 3.052 N/A LYS 185.A N ALA 182.A O no hydrogen 2.768 N/A ILE 186.A N ALA 182.A O no hydrogen 2.969 N/A VAL 187.A N LEU 183.A O no hydrogen 3.064 N/A HIS 188.A N ASP 184.A O no hydrogen 2.829 N/A GLU 189.A N LYS 185.A O no hydrogen 2.854 N/A LEU 190.A N VAL 187.A O no hydrogen 3.016 N/A TYR 191.A N VAL 187.A O no hydrogen 2.879 N/A TYR 191.A OH ILE 155.A O no hydrogen 3.018 N/A GLY 192.A N HIS 188.A O no hydrogen 3.015 N/A GLN 199.A NE2 GLY 137.A O no hydrogen 2.952 N/A ILE 203.A N GLN 199.A O no hydrogen 3.090 N/A TYR 204.A N THR 200.A O no hydrogen 3.198 N/A LEU 205.A N GLY 201.A O no hydrogen 3.012 N/A LEU 205.A N PHE 202.A O no hydrogen 3.224 N/A LEU 206.A N PHE 202.A O no hydrogen 3.212 N/A THR 207.A N ILE 203.A O no hydrogen 2.933 N/A THR 207.A OG1 ILE 203.A O no hydrogen 3.280 N/A CYS 208.A N TYR 204.A O no hydrogen 3.007 N/A CYS 208.A SG CYS 178.A O no hydrogen 3.790 N/A CYS 208.A SG TYR 204.A O no hydrogen 3.165 N/A ALA 209.A N LEU 205.A O no hydrogen 2.772 N/A TRP 210.A N LEU 206.A O no hydrogen 2.912 N/A ILE 212.A N ALA 209.A O no hydrogen 3.205 N/A ASN 213.A N ALA 209.A O no hydrogen 2.643 N/A ASN 213.A ND2 ILE 212.A O no hydrogen 2.762 N/A ALA 217.A N TYR 379.A OH no hydrogen 3.189 N/A PHE 220.A N ALA 217.A O no hydrogen 2.887 N/A TRP 221.A N ALA 217.A O no hydrogen 2.997 N/A GLN 222.A N HIS 218.A O no hydrogen 3.427 N/A PHE 223.A N GLU 219.A O no hydrogen 2.925 N/A ILE 224.A N PHE 220.A O no hydrogen 2.874 N/A ILE 225.A N TRP 221.A O no hydrogen 2.920 N/A ASN 226.A N GLN 222.A O no hydrogen 3.181 N/A GLN 227.A N PHE 223.A O no hydrogen 3.331 N/A GLN 227.A N ILE 224.A O no hydrogen 2.818 N/A ILE 228.A N ILE 224.A O no hydrogen 3.171 N/A HIS 229.A N ILE 225.A O no hydrogen 3.224 N/A GLN 230.A N ASN 226.A O no hydrogen 2.889 N/A SER 231.A N GLN 227.A O no hydrogen 2.882 N/A SER 231.A OG SER 180.A OG no hydrogen 2.620 N/A SER 231.A OG GLN 227.A O no hydrogen 3.176 N/A SER 231.A OG ILE 228.A O no hydrogen 3.083 N/A TYR 232.A N ILE 228.A O no hydrogen 3.239 N/A VAL 233.A N HIS 229.A O no hydrogen 3.311 N/A VAL 233.A N GLN 230.A O no hydrogen 3.186 N/A ASP 235.A N SER 231.A O no hydrogen 3.334 N/A LEU 236.A N TYR 232.A O no hydrogen 3.308 N/A ASN 241.A ND2 GLN 244.A O no hydrogen 3.229 N/A CYS 245.A SG HIS 250.A ND1 no hydrogen 3.496 N/A CYS 247.A SG HIS 229.A ND1 no hydrogen 3.706 N/A CYS 247.A SG HIS 250.A ND1 no hydrogen 3.395 N/A THR 251.A N CYS 247.A O no hydrogen 3.035 N/A THR 251.A OG1 GLU 246.A O no hydrogen 3.037 N/A THR 251.A OG1 CYS 247.A O no hydrogen 2.707 N/A VAL 252.A N ILE 248.A O no hydrogen 2.673 N/A VAL 252.A N VAL 249.A O no hydrogen 3.391 N/A PHE 253.A N VAL 249.A O no hydrogen 2.804 N/A GLY 255.A N PHE 277.A O no hydrogen 2.816 N/A SER 256.A N LYS 316.A O no hydrogen 2.995 N/A LEU 257.A N ASP 275.A O no hydrogen 2.533 N/A GLU 258.A N GLY 313.A O no hydrogen 2.563 N/A SER 259.A N THR 273.A O no hydrogen 2.857 N/A SER 259.A OG ASP 275.A OD1 no hydrogen 3.081 N/A SER 260.A N GLN 311.A O no hydrogen 3.331 N/A ILE 261.A N LYS 271.A O no hydrogen 3.062 N/A VAL 262.A N ILE 309.A O no hydrogen 2.952 N/A SER 270.A OG SER 270.A O no hydrogen 2.603 N/A LYS 271.A N ASN 269.A O no hydrogen 2.668 N/A THR 272.A OG1 SER 270.A O no hydrogen 3.010 N/A THR 273.A N SER 259.A O no hydrogen 3.019 N/A THR 273.A OG1 ASP 275.A OD2 no hydrogen 3.515 N/A ASP 275.A N LEU 257.A O no hydrogen 2.793 N/A PHE 277.A N GLY 255.A O no hydrogen 2.936 N/A LEU 280.A N VAL 322.A O no hydrogen 3.022 N/A SER 281.A OG GLN 324.A OE1 no hydrogen 3.283 N/A LEU 282.A N GLN 324.A O no hydrogen 3.092 N/A LYS 287.A NZ SER 296.A OG no hydrogen 2.547 N/A LYS 289.A N GLU 292.A OE1 no hydrogen 3.060 N/A LEU 290.A N GLU 344.A O no hydrogen 3.148 N/A GLU 292.A N LYS 289.A O no hydrogen 3.017 N/A CYS 293.A SG ASP 283.A O no hydrogen 3.490 N/A CYS 293.A SG LYS 289.A O no hydrogen 3.911 N/A LEU 294.A N LEU 290.A O no hydrogen 3.172 N/A ASP 295.A N TYR 291.A O no hydrogen 2.803 N/A SER 296.A N GLU 292.A O no hydrogen 3.253 N/A SER 296.A OG GLU 292.A O no hydrogen 3.063 N/A PHE 297.A N CYS 293.A O no hydrogen 3.260 N/A HIS 298.A N ASP 295.A O no hydrogen 3.179 N/A HIS 298.A ND1 LEU 312.A O no hydrogen 2.988 N/A LYS 299.A N SER 296.A O no hydrogen 2.720 N/A GLU 301.A N LYS 310.A O no hydrogen 2.765 N/A LYS 310.A N GLU 301.A O no hydrogen 2.921 N/A GLN 311.A N SER 260.A O no hydrogen 3.103 N/A GLY 313.A N GLU 258.A O no hydrogen 3.327 N/A ILE 314.A N TYR 354.A O no hydrogen 3.120 N/A HIS 315.A N SER 256.A O no hydrogen 2.734 N/A LYS 316.A N SER 256.A O no hydrogen 3.085 N/A SER 319.A N VAL 252.A O no hydrogen 2.794 N/A VAL 320.A N VAL 252.A O no hydrogen 3.074 N/A LEU 321.A N TYR 416.A O no hydrogen 2.718 N/A LEU 323.A N LEU 414.A O no hydrogen 2.826 N/A GLN 324.A N LEU 280.A O no hydrogen 2.909 N/A LEU 325.A N TYR 412.A O no hydrogen 2.816 N/A LYS 326.A N LEU 282.A O no hydrogen 3.056 N/A LYS 338.A NZ ASP 340.A OD1 no hydrogen 3.102 N/A LEU 339.A N ARG 327.A O no hydrogen 2.673 N/A GLU 344.A N LYS 288.A O no hydrogen 2.836 N/A THR 347.A OG1 GLN 403.A OE1 no hydrogen 3.558 N/A TYR 348.A OH GLU 363.A OE2 no hydrogen 3.090 N/A LEU 349.A N TYR 362.A O no hydrogen 3.030 N/A ASN 350.A N TYR 291.A OH no hydrogen 2.981 N/A ASN 350.A ND2 ASP 359.A OD1 no hydrogen 3.296 N/A MET 351.A N ILE 360.A O no hydrogen 3.087 N/A LYS 352.A N ASN 350.A OD1 no hydrogen 3.102 N/A TYR 354.A N MET 351.A O no hydrogen 2.977 N/A CYS 355.A SG MET 351.A O no hydrogen 3.752 N/A SER 356.A N ILE 314.A O no hydrogen 3.015 N/A ILE 360.A N ASN 350.A OD1 no hydrogen 3.170 N/A ILE 361.A N GLN 420.A O no hydrogen 2.779 N/A TYR 362.A N LEU 349.A O no hydrogen 2.739 N/A TYR 362.A OH PRO 318.A O no hydrogen 2.726 N/A GLU 363.A N THR 417.A O no hydrogen 2.804 N/A LEU 364.A N THR 347.A O no hydrogen 3.132 N/A ILE 365.A N PHE 415.A O no hydrogen 2.751 N/A GLY 366.A N PHE 415.A O no hydrogen 3.236 N/A ILE 367.A N PHE 382.A O no hydrogen 2.735 N/A VAL 368.A N LEU 413.A O no hydrogen 3.114 N/A SER 369.A N ILE 380.A O no hydrogen 2.894 N/A LYS 371.A N HIS 378.A O no hydrogen 3.054 N/A GLU 376.A N THR 373.A O no hydrogen 3.355 N/A HIS 378.A N LYS 371.A O no hydrogen 2.902 N/A HIS 378.A NE2 ASN 394.A OD1 no hydrogen 3.201 N/A TYR 379.A OH GLN 215.A O no hydrogen 3.181 N/A ILE 380.A N SER 369.A O no hydrogen 3.059 N/A PHE 382.A N ILE 367.A O no hydrogen 2.667 N/A CYS 383.A N PHE 391.A O no hydrogen 3.073 N/A CYS 383.A SG GLN 152.A O no hydrogen 3.515 N/A LYS 384.A N ILE 365.A O no hydrogen 2.930 N/A LYS 384.A NZ GLU 363.A OE2 no hydrogen 2.829 N/A ILE 385.A N GLN 389.A O no hydrogen 3.071 N/A GLY 388.A N ILE 385.A O no hydrogen 3.144 N/A GLN 389.A NE2 ILE 385.A O no hydrogen 3.070 N/A GLN 389.A NE2 SER 386.A O no hydrogen 2.697 N/A GLN 389.A NE2 GLN 389.A O no hydrogen 3.569 N/A TRP 390.A NE1 GLN 403.A OE1 no hydrogen 3.329 N/A PHE 391.A N CYS 383.A O no hydrogen 2.938 N/A LYS 392.A N SER 399.A O no hydrogen 2.978 N/A PHE 393.A N ALA 381.A O no hydrogen 2.769 N/A ASN 394.A N MET 397.A O no hydrogen 3.301 N/A SER 399.A N LYS 392.A O no hydrogen 3.171 N/A GLU 405.A N SER 402.A O no hydrogen 3.091 N/A VAL 406.A N SER 402.A O no hydrogen 3.220 N/A LEU 407.A N GLN 403.A O no hydrogen 3.073 N/A GLN 410.A NE2 ASP 340.A O no hydrogen 3.525 N/A TYR 412.A N VAL 368.A O no hydrogen 2.855 N/A LEU 413.A N VAL 368.A O no hydrogen 2.920 N/A LEU 414.A N LEU 323.A O no hydrogen 2.801 N/A PHE 415.A N GLY 366.A O no hydrogen 2.912 N/A TYR 416.A N LEU 321.A O no hydrogen 3.139 N/A TYR 416.A OH PRO 346.A O no hydrogen 3.058 N/A THR 417.A N GLU 363.A O no hydrogen 3.091 N/A ILE 418.A N SER 319.A O no hydrogen 2.813 N/A ARG 419.A N ILE 361.A O no hydrogen 2.938 N/A GLN 420.A N ILE 361.A O no hydrogen 3.050 N/A GLN 420.A NE2 ASN 422.A OXT no hydrogen 2.867 N/A ASN 422.A N ASP 359.A O no hydrogen 2.790 N/A