Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jbq_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N GLU 4.A OE1 no hydrogen 3.158 N/A GLU 4.A N SER 1.A O no hydrogen 3.294 N/A GLU 4.A N GLU 4.A OE1 no hydrogen 2.593 N/A THR 6.A N HIS 2.A O no hydrogen 2.857 N/A ARG 7.A N MET 3.A O no hydrogen 2.969 N/A GLU 8.A N GLU 4.A O no hydrogen 2.906 N/A LEU 9.A N GLU 5.A O no hydrogen 2.946 N/A GLN 10.A N THR 6.A O no hydrogen 2.930 N/A SER 11.A N ARG 7.A O no hydrogen 2.954 N/A SER 11.A OG GLU 8.A O no hydrogen 2.151 N/A LEU 12.A N GLU 8.A O no hydrogen 2.924 N/A ALA 13.A N LEU 9.A O no hydrogen 2.943 N/A SER 19.A OG THR 22.A OG1 no hydrogen 2.525 N/A THR 22.A N SER 19.A O no hydrogen 2.896 N/A THR 22.A N SER 19.A OG no hydrogen 3.158 N/A THR 22.A OG1 SER 19.A OG no hydrogen 2.525 N/A LEU 23.A N SER 19.A O no hydrogen 2.723 N/A SER 31.A OG GLU 34.A OE1 no hydrogen 2.801 N/A GLU 34.A N GLU 34.A OE1 no hydrogen 2.616 N/A GLU 39.A N SER 36.A OG no hydrogen 3.289 N/A THR 40.A N SER 36.A O no hydrogen 2.867 N/A THR 40.A OG1 SER 36.A O no hydrogen 3.045 N/A THR 40.A OG1 ASP 37.A O no hydrogen 2.713 N/A ALA 41.A N ASP 37.A O no hydrogen 2.928 N/A LEU 42.A N LEU 38.A O no hydrogen 2.895 N/A CYS 43.A N GLU 39.A O no hydrogen 2.912 N/A CYS 43.A SG GLU 39.A O no hydrogen 3.365 N/A THR 44.A N THR 40.A O no hydrogen 2.930 N/A THR 44.A OG1 THR 40.A O no hydrogen 2.858 N/A ILE 45.A N ALA 41.A O no hydrogen 2.911 N/A ARG 46.A N LEU 42.A O no hydrogen 2.971 N/A ARG 46.A NH1 ASP 50.A OD1 no hydrogen 3.320 N/A ARG 46.A NH1 ASP 50.A OD2 no hydrogen 3.458 N/A MET 47.A N CYS 43.A O no hydrogen 2.906 N/A PHE 48.A N THR 44.A O no hydrogen 2.962 N/A THR 49.A N ARG 46.A O no hydrogen 2.794 N/A THR 49.A OG1 ILE 45.A O no hydrogen 2.262 N/A ASP 50.A N ARG 46.A O no hydrogen 2.966 N/A ASN 52.A ND2 GLN 104.A OE1 no hydrogen 3.381 N/A GLN 58.A NE2 GLN 55.A O no hydrogen 3.403 N/A LEU 64.A N HIS 61.A O no hydrogen 2.804 N/A CYS 65.A N HIS 61.A O no hydrogen 2.962 N/A CYS 65.A SG HIS 61.A O no hydrogen 3.548 N/A ARG 66.A N GLU 62.A O no hydrogen 2.864 N/A ILE 68.A N LEU 64.A O no hydrogen 2.953 N/A LEU 69.A N CYS 65.A O no hydrogen 2.959 N/A SER 70.A N ARG 66.A O no hydrogen 2.891 N/A SER 70.A OG ARG 66.A O no hydrogen 2.537 N/A VAL 71.A N TRP 67.A O no hydrogen 2.939 N/A LYS 72.A N ILE 68.A O no hydrogen 2.931 N/A LYS 72.A NZ GLU 8.A OE2 no hydrogen 2.898 N/A LYS 73.A N LEU 69.A O no hydrogen 2.926 N/A LYS 73.A N SER 70.A O no hydrogen 3.147 N/A LYS 73.A NZ GLU 5.A OE1 no hydrogen 3.308 N/A ASN 74.A N SER 70.A O no hydrogen 2.918 N/A TYR 75.A OH ASP 123.A O no hydrogen 2.854 N/A HIS 82.A N GLU 254.A OE1 no hydrogen 3.366 N/A HIS 82.A N GLU 254.A OE2 no hydrogen 3.163 N/A HIS 82.A ND1 GLU 254.A OE2 no hydrogen 3.031 N/A ASN 83.A N TYR 81.A O no hydrogen 2.352 N/A ARG 85.A N ASN 83.A OD1 no hydrogen 2.785 N/A ARG 85.A NH2 LEU 35.A O no hydrogen 2.482 N/A HIS 86.A N ASN 83.A O no hydrogen 3.165 N/A HIS 86.A NE2 ASP 123.A OD2 no hydrogen 2.457 N/A ALA 87.A N ASN 83.A O no hydrogen 3.392 N/A PHE 88.A N TRP 84.A O no hydrogen 2.883 N/A ASN 89.A N ARG 85.A O no hydrogen 2.920 N/A ASN 89.A ND2 ASP 32.A OD2 no hydrogen 3.261 N/A THR 90.A N HIS 86.A O no hydrogen 2.959 N/A THR 90.A OG1 HIS 86.A O no hydrogen 2.858 N/A THR 90.A OG1 HIS 122.A NE2 no hydrogen 2.904 N/A THR 90.A OG1 CYS 232.A O no hydrogen 3.195 N/A ALA 91.A N ALA 87.A O no hydrogen 2.937 N/A GLN 92.A N PHE 88.A O no hydrogen 2.875 N/A GLN 92.A NE2 ILE 25.A O no hydrogen 3.097 N/A GLN 92.A NE2 ASP 27.A O no hydrogen 3.544 N/A CYS 93.A N ASN 89.A O no hydrogen 2.922 N/A CYS 93.A SG ALA 231.A O no hydrogen 3.719 N/A MET 94.A N THR 90.A O no hydrogen 2.963 N/A PHE 95.A N ALA 91.A O no hydrogen 2.874 N/A ALA 96.A N GLN 92.A O no hydrogen 2.918 N/A ALA 97.A N CYS 93.A O no hydrogen 2.916 N/A LEU 98.A N MET 94.A O no hydrogen 2.943 N/A LYS 99.A NZ ASP 50.A O no hydrogen 2.974 N/A GLY 101.A N ALA 96.A O no hydrogen 3.026 N/A LYS 102.A N LYS 99.A O no hydrogen 2.970 N/A LYS 106.A N ILE 103.A O no hydrogen 2.734 N/A LEU 107.A N ILE 103.A O no hydrogen 2.975 N/A ILE 112.A N THR 108.A O no hydrogen 3.095 N/A LEU 113.A N ASP 109.A O no hydrogen 2.928 N/A ALA 114.A N LEU 110.A O no hydrogen 2.966 N/A LEU 115.A N GLU 111.A O no hydrogen 2.887 N/A LEU 116.A N ILE 112.A O no hydrogen 2.937 N/A ILE 117.A N LEU 113.A O no hydrogen 2.958 N/A ALA 118.A N ALA 114.A O no hydrogen 2.971 N/A ALA 119.A N LEU 115.A O no hydrogen 2.905 N/A LEU 120.A N LEU 116.A O no hydrogen 2.941 N/A SER 121.A N ALA 118.A O no hydrogen 3.262 N/A SER 121.A OG ILE 117.A O no hydrogen 2.546 N/A HIS 122.A N ALA 119.A O no hydrogen 3.436 N/A HIS 122.A ND1 ALA 119.A O no hydrogen 2.181 N/A GLY 128.A N HIS 126.A ND1 no hydrogen 2.989 N/A ASN 131.A ND2 GLU 151.A OE1 no hydrogen 3.190 N/A TYR 133.A N ASN 130.A OD1 no hydrogen 3.174 N/A GLN 135.A N ASN 131.A O no hydrogen 2.976 N/A GLN 135.A NE2 CYS 146.A O no hydrogen 3.013 N/A ARG 136.A N TYR 133.A O no hydrogen 2.933 N/A SER 137.A N TYR 133.A O no hydrogen 2.321 N/A SER 137.A OG TYR 133.A O no hydrogen 2.624 N/A LEU 141.A N HIS 139.A ND1 no hydrogen 3.048 N/A ALA 142.A N HIS 139.A O no hydrogen 2.747 N/A GLN 143.A N GLN 143.A OE1 no hydrogen 2.677 N/A LEU 144.A N PRO 140.A O no hydrogen 2.940 N/A TYR 145.A N ALA 142.A O no hydrogen 3.167 N/A CYS 146.A SG HIS 147.A ND1 no hydrogen 3.821 N/A SER 148.A OG ASP 193.A OD2 no hydrogen 2.458 N/A MET 150.A N ASN 131.A OD1 no hydrogen 2.747 N/A HIS 152.A N SER 148.A O no hydrogen 2.656 N/A HIS 152.A ND1 SER 148.A O no hydrogen 3.035 N/A HIS 153.A N ILE 149.A O no hydrogen 2.909 N/A HIS 154.A N GLU 151.A O no hydrogen 2.908 N/A PHE 155.A N GLU 151.A O no hydrogen 2.892 N/A ASP 156.A N HIS 152.A O no hydrogen 2.919 N/A GLN 157.A N HIS 153.A O no hydrogen 2.873 N/A LEU 159.A N PHE 155.A O no hydrogen 2.926 N/A MET 160.A N ASP 156.A O no hydrogen 2.916 N/A ILE 161.A N GLN 157.A O no hydrogen 2.906 N/A LEU 162.A N CYS 158.A O no hydrogen 2.956 N/A ASN 163.A ND2 LEU 159.A O no hydrogen 2.224 N/A ASN 163.A ND2 TYR 178.A OH no hydrogen 3.395 N/A SER 164.A OG MET 160.A O no hydrogen 2.731 N/A ASN 167.A N GLN 168.A OE1 no hydrogen 3.244 N/A GLN 168.A N GLN 168.A OE1 no hydrogen 2.793 N/A GLN 168.A NE2 ASN 163.A O no hydrogen 3.183 N/A ILE 169.A N ASN 167.A O no hydrogen 2.794 N/A SER 171.A OG GLN 168.A O no hydrogen 2.799 N/A LEU 173.A N LEU 170.A O no hydrogen 3.084 N/A GLU 177.A N SER 174.A OG no hydrogen 3.415 N/A TYR 178.A N SER 174.A O no hydrogen 2.540 N/A TYR 178.A OH ASN 163.A OD1 no hydrogen 3.215 N/A LYS 179.A N ILE 175.A O no hydrogen 2.885 N/A THR 180.A N GLU 176.A O no hydrogen 2.918 N/A THR 180.A OG1 GLU 176.A O no hydrogen 3.232 N/A THR 180.A OG1 GLU 177.A O no hydrogen 2.870 N/A THR 181.A N GLU 177.A O no hydrogen 2.898 N/A THR 181.A OG1 GLU 177.A O no hydrogen 2.180 N/A LEU 182.A N TYR 178.A O no hydrogen 2.940 N/A LYS 183.A N LYS 179.A O no hydrogen 3.114 N/A ILE 184.A N THR 180.A O no hydrogen 2.954 N/A ILE 185.A N THR 181.A O no hydrogen 2.876 N/A GLN 187.A N LYS 183.A O no hydrogen 3.006 N/A ALA 188.A N ILE 184.A O no hydrogen 2.887 N/A ILE 189.A N ILE 185.A O no hydrogen 2.834 N/A LEU 190.A N LYS 186.A O no hydrogen 2.962 N/A ALA 191.A N GLN 187.A O no hydrogen 2.934 N/A THR 192.A N ILE 189.A O no hydrogen 3.135 N/A THR 192.A OG1 ILE 189.A O no hydrogen 2.396 N/A ALA 195.A N ASP 193.A OD1 no hydrogen 3.222 N/A TYR 197.A N ASP 193.A O no hydrogen 3.280 N/A ILE 198.A N LEU 194.A O no hydrogen 2.970 N/A LYS 199.A N ALA 195.A O no hydrogen 2.934 N/A ARG 200.A N LEU 196.A O no hydrogen 2.922 N/A ARG 200.A NH2 GLU 222.A OE2 no hydrogen 3.191 N/A ARG 201.A N TYR 197.A O no hydrogen 2.876 N/A ARG 201.A NH1 PHE 292.A O no hydrogen 2.692 N/A PHE 205.A N ARG 201.A O no hydrogen 2.931 N/A GLU 206.A N GLY 202.A O no hydrogen 2.959 N/A LEU 207.A N GLU 203.A O no hydrogen 2.948 N/A ILE 208.A N PHE 205.A O no hydrogen 3.130 N/A ARG 209.A N PHE 205.A O no hydrogen 2.959 N/A ASN 211.A N ILE 208.A O no hydrogen 2.958 N/A ASP 217.A N ASN 214.A O no hydrogen 3.402 N/A GLN 220.A N ASP 217.A O no hydrogen 3.116 N/A LYS 221.A NZ LEU 215.A O no hydrogen 3.514 N/A GLU 222.A N PRO 218.A O no hydrogen 2.890 N/A LEU 223.A N HIS 219.A O no hydrogen 2.921 N/A PHE 224.A N GLN 220.A O no hydrogen 2.915 N/A LEU 225.A N LYS 221.A O no hydrogen 2.934 N/A ALA 226.A N GLU 222.A O no hydrogen 2.952 N/A MET 227.A N LEU 223.A O no hydrogen 2.942 N/A LEU 228.A N PHE 224.A O no hydrogen 2.935 N/A MET 229.A N LEU 225.A O no hydrogen 2.899 N/A THR 230.A N ALA 226.A O no hydrogen 2.981 N/A THR 230.A OG1 ALA 191.A O no hydrogen 2.235 N/A THR 230.A OG1 ALA 226.A O no hydrogen 3.491 N/A ALA 231.A N MET 227.A O no hydrogen 2.933 N/A CYS 232.A N LEU 228.A O no hydrogen 2.927 N/A CYS 232.A N MET 229.A O no hydrogen 2.949 N/A CYS 232.A SG LEU 228.A O no hydrogen 3.072 N/A ASP 233.A N MET 229.A O no hydrogen 2.923 N/A SER 235.A N CYS 232.A O no hydrogen 3.206 N/A SER 235.A OG ASN 89.A O no hydrogen 2.510 N/A SER 235.A OG CYS 232.A O no hydrogen 3.107 N/A ILE 237.A N LEU 234.A O no hydrogen 3.519 N/A THR 238.A N SER 235.A O no hydrogen 2.917 N/A THR 238.A OG1 PHE 28.A O no hydrogen 3.369 N/A THR 238.A OG1 SER 235.A O no hydrogen 2.361 N/A LYS 239.A N ALA 236.A O no hydrogen 3.294 N/A LYS 239.A NZ GLN 92.A OE1 no hydrogen 3.326 N/A LYS 239.A NZ SER 235.A O no hydrogen 3.560 N/A GLN 244.A N PRO 240.A O no hydrogen 2.358 N/A GLN 244.A NE2 ALA 236.A O no hydrogen 2.722 N/A GLN 244.A NE2 LYS 239.A O no hydrogen 2.838 N/A GLN 245.A N TRP 241.A O no hydrogen 2.849 N/A ILE 247.A N ILE 243.A O no hydrogen 2.948 N/A ALA 248.A N GLN 244.A O no hydrogen 2.824 N/A GLU 249.A N GLN 245.A O no hydrogen 2.955 N/A LEU 250.A N ARG 246.A O no hydrogen 2.910 N/A VAL 251.A N ILE 247.A O no hydrogen 2.915 N/A ALA 252.A N ALA 248.A O no hydrogen 2.889 N/A THR 253.A N GLU 249.A O no hydrogen 2.889 N/A THR 253.A OG1 GLU 249.A O no hydrogen 2.958 N/A GLU 254.A N LEU 250.A O no hydrogen 2.890 N/A PHE 255.A N VAL 251.A O no hydrogen 2.977 N/A GLU 257.A N GLU 254.A O no hydrogen 3.240 N/A GLN 258.A N GLU 254.A O no hydrogen 2.877 N/A LEU 261.A N GLU 257.A O no hydrogen 2.919 N/A ARG 263.A N ASP 260.A O no hydrogen 3.138 N/A ARG 263.A NH1 MET 274.A O no hydrogen 3.535 N/A ARG 263.A NH2 MET 274.A O no hydrogen 3.239 N/A THR 264.A OG1 ASP 260.A O no hydrogen 2.669 N/A GLN 267.A NE2 THR 264.A O no hydrogen 3.666 N/A GLN 268.A N GLU 262.A O no hydrogen 3.081 N/A ASP 275.A N ILE 271.A O no hydrogen 3.245 N/A ARG 276.A NH2 GLU 257.A OE2 no hydrogen 3.437 N/A ARG 276.A NH2 ASP 260.A OD2 no hydrogen 3.127 N/A ASN 277.A N ASP 275.A OD1 no hydrogen 3.251 N/A LYS 278.A N ASP 275.A O no hydrogen 3.276 N/A GLU 281.A N LYS 278.A O no hydrogen 2.912 N/A LEU 282.A N LYS 278.A O no hydrogen 2.469 N/A LYS 284.A NZ ALA 326.A O no hydrogen 2.525 N/A GLN 286.A N LEU 282.A O no hydrogen 2.944 N/A GLN 286.A N PRO 283.A O no hydrogen 2.912 N/A VAL 287.A N PRO 283.A O no hydrogen 2.898 N/A GLY 288.A N LYS 284.A O no hydrogen 3.062 N/A ILE 290.A N GLN 286.A O no hydrogen 2.684 N/A ASP 291.A N VAL 287.A O no hydrogen 2.737 N/A PHE 292.A N PHE 289.A O no hydrogen 2.918 N/A VAL 293.A N PHE 289.A O no hydrogen 3.044 N/A THR 295.A N ILE 290.A O no hydrogen 2.842 N/A THR 295.A OG1 ILE 290.A O no hydrogen 3.256 N/A THR 295.A OG1 ASP 291.A O no hydrogen 3.510 N/A LEU 297.A N VAL 293.A O no hydrogen 3.039 N/A LEU 297.A N CYS 294.A O no hydrogen 2.873 N/A TYR 298.A N CYS 294.A O no hydrogen 2.780 N/A GLU 299.A N THR 295.A O no hydrogen 2.936 N/A LEU 301.A N LEU 297.A O no hydrogen 2.919 N/A THR 302.A N GLU 299.A O no hydrogen 3.061 N/A THR 302.A OG1 TYR 298.A O no hydrogen 2.274 N/A HIS 303.A N GLU 299.A O no hydrogen 2.909 N/A HIS 303.A ND1 GLU 299.A O no hydrogen 2.843 N/A VAL 304.A N ALA 300.A O no hydrogen 2.957 N/A CYS 308.A SG ALA 97.A O no hydrogen 3.749 N/A CYS 308.A SG SER 305.A OG no hydrogen 2.660 N/A PHE 309.A N GLU 306.A O no hydrogen 2.931 N/A LEU 311.A N CYS 308.A O no hydrogen 2.952 N/A LEU 312.A N PHE 309.A O no hydrogen 2.857 N/A ASP 313.A N PHE 309.A O no hydrogen 2.945 N/A GLY 314.A N PRO 310.A O no hydrogen 2.343 N/A CYS 315.A N LEU 312.A O no hydrogen 2.936 N/A ARG 316.A N LEU 312.A O no hydrogen 3.026 N/A LYS 317.A N ASP 313.A O no hydrogen 3.111 N/A ASN 318.A N CYS 315.A O no hydrogen 2.934 N/A ASN 318.A ND2 LYS 239.A O no hydrogen 3.450 N/A ARG 319.A N ARG 316.A O no hydrogen 2.951 N/A TRP 322.A N ASN 318.A O no hydrogen 2.664 N/A TRP 322.A N ARG 319.A O no hydrogen 2.950 N/A GLN 323.A N ARG 319.A O no hydrogen 2.822 N/A ALA 324.A N GLN 320.A O no hydrogen 2.759 N/A ALA 326.A N TRP 322.A O no hydrogen 2.644 N/A GLU 327.A N ALA 324.A O no hydrogen 2.921 N/A