Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8jir_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A N GLN 1.A OE1 no hydrogen 2.810 N/A ASP 5.A N GLN 1.A O no hydrogen 3.254 N/A GLN 6.A N SER 2.A O no hydrogen 2.894 N/A LEU 7.A N GLU 3.A O no hydrogen 2.888 N/A ARG 8.A N LEU 4.A O no hydrogen 2.904 N/A GLN 9.A N ASP 5.A O no hydrogen 2.898 N/A GLU 10.A N GLN 6.A O no hydrogen 2.894 N/A ALA 11.A N LEU 7.A O no hydrogen 2.894 N/A GLU 12.A N ARG 8.A O no hydrogen 2.913 N/A GLN 13.A N GLN 9.A O no hydrogen 2.910 N/A LEU 14.A N GLU 10.A O no hydrogen 2.898 N/A LYS 15.A N ALA 11.A O no hydrogen 2.888 N/A ASN 16.A N GLU 12.A O no hydrogen 2.915 N/A GLN 17.A N GLN 13.A O no hydrogen 2.896 N/A ILE 18.A N LEU 14.A O no hydrogen 2.892 N/A ARG 19.A N LYS 15.A O no hydrogen 2.888 N/A ARG 19.A NE ASN 16.A OD1 no hydrogen 2.921 N/A ASP 20.A N ASN 16.A O no hydrogen 2.914 N/A ALA 21.A N GLN 17.A O no hydrogen 2.895 N/A ARG 22.A N ILE 18.A O no hydrogen 2.922 N/A ARG 22.A NE ASP 258.A OD2 no hydrogen 2.368 N/A LYS 23.A N ARG 19.A O no hydrogen 2.881 N/A ALA 28.A N ASP 27.A OD1 no hydrogen 2.568 N/A THR 29.A OG1 SER 31.A OG no hydrogen 2.929 N/A SER 31.A OG THR 29.A OG1 no hydrogen 2.929 N/A GLN 32.A N THR 29.A OG1 no hydrogen 3.230 N/A ILE 33.A N THR 29.A O no hydrogen 2.964 N/A THR 34.A N LEU 30.A O no hydrogen 2.869 N/A THR 34.A OG1 LEU 30.A O no hydrogen 2.186 N/A THR 34.A OG1 SER 31.A O no hydrogen 3.330 N/A THR 34.A OG1 LEU 300.A O no hydrogen 3.252 N/A ARG 48.A N ILE 338.A O no hydrogen 2.852 N/A ARG 48.A NE ARG 46.A O no hydrogen 3.320 N/A ARG 49.A N ILE 338.A O no hydrogen 3.436 N/A LEU 51.A N LEU 336.A O no hydrogen 2.814 N/A HIS 54.A NE2 SER 72.A OG no hydrogen 2.580 N/A LEU 55.A N ASP 76.A OD2 no hydrogen 3.088 N/A LYS 57.A NZ GLN 75.A OE1 no hydrogen 2.849 N/A TYR 59.A N ALA 73.A O no hydrogen 3.098 N/A HIS 62.A N VAL 71.A O no hydrogen 2.989 N/A GLY 64.A N LEU 69.A O no hydrogen 2.722 N/A THR 65.A OG1 PRO 107.A O no hydrogen 2.753 N/A SER 67.A N GLY 64.A O no hydrogen 3.185 N/A SER 67.A OG SER 67.A O no hydrogen 2.286 N/A SER 67.A OG ASP 323.A OD1 no hydrogen 2.639 N/A SER 67.A OG ASP 323.A OD2 no hydrogen 2.863 N/A ARG 68.A N ASP 66.A OD1 no hydrogen 3.006 N/A ARG 68.A NE ASP 83.A OD1 no hydrogen 2.445 N/A LEU 69.A N ASP 66.A OD1 no hydrogen 3.328 N/A VAL 71.A N HIS 62.A O no hydrogen 3.047 N/A SER 72.A N ILE 80.A O no hydrogen 3.219 N/A SER 72.A OG HIS 54.A NE2 no hydrogen 2.580 N/A ALA 73.A N ALA 60.A O no hydrogen 3.198 N/A SER 74.A N LYS 78.A O no hydrogen 2.979 N/A SER 74.A OG ALA 56.A O no hydrogen 2.949 N/A SER 74.A OG LYS 57.A O no hydrogen 2.691 N/A SER 74.A OG ASP 76.A OD1 no hydrogen 2.867 N/A GLN 75.A N LYS 57.A O no hydrogen 3.085 N/A GLN 75.A NE2 VAL 100.A O no hydrogen 3.494 N/A ASP 76.A N SER 74.A OG no hydrogen 3.399 N/A GLY 77.A N SER 74.A O no hydrogen 3.179 N/A LYS 78.A N ASP 76.A OD1 no hydrogen 3.331 N/A LEU 79.A N ILE 93.A O no hydrogen 3.144 N/A ILE 80.A N SER 72.A O no hydrogen 3.238 N/A ILE 81.A N HIS 91.A O no hydrogen 2.980 N/A TRP 82.A N LEU 70.A O no hydrogen 2.880 N/A TRP 82.A NE1 SER 72.A OG no hydrogen 3.224 N/A ASP 83.A N ASN 88.A O no hydrogen 2.993 N/A SER 84.A N ARG 68.A O no hydrogen 3.075 N/A SER 84.A OG ARG 68.A O no hydrogen 2.592 N/A TYR 85.A N ASP 83.A OD1 no hydrogen 3.213 N/A THR 86.A N ASP 83.A O no hydrogen 3.074 N/A THR 87.A N ASP 83.A O no hydrogen 2.695 N/A ASN 88.A N THR 86.A OG1 no hydrogen 3.292 N/A LYS 89.A NZ ARG 52.A O no hydrogen 2.957 N/A VAL 90.A N ILE 81.A O no hydrogen 2.792 N/A ILE 93.A N LEU 79.A O no hydrogen 2.913 N/A LEU 95.A N GLY 77.A O no hydrogen 2.779 N/A TRP 99.A N SER 97.A OG no hydrogen 3.266 N/A MET 101.A N GLY 115.A O no hydrogen 2.647 N/A THR 102.A N GLY 115.A O no hydrogen 2.987 N/A CYS 103.A SG VAL 71.A O no hydrogen 4.023 N/A ALA 104.A N ALA 113.A O no hydrogen 3.029 N/A TYR 105.A N HIS 62.A ND1 no hydrogen 2.993 N/A ALA 106.A N TYR 111.A O no hydrogen 2.847 N/A SER 108.A OG ASP 154.A OD2 no hydrogen 2.677 N/A GLY 109.A N ALA 106.A O no hydrogen 2.862 N/A ASN 110.A N SER 108.A OG no hydrogen 3.160 N/A VAL 112.A N TYR 124.A O no hydrogen 3.140 N/A ALA 113.A N ALA 104.A O no hydrogen 2.983 N/A CYS 114.A N SER 122.A O no hydrogen 3.151 N/A GLY 115.A N THR 102.A O no hydrogen 3.178 N/A LEU 117.A N TRP 99.A O no hydrogen 3.167 N/A ILE 120.A N ASP 118.A O no hydrogen 2.750 N/A CYS 121.A SG CYS 114.A O no hydrogen 3.794 N/A SER 122.A N CYS 114.A O no hydrogen 2.990 N/A SER 122.A OG GLU 138.A OE2 no hydrogen 3.075 N/A ILE 123.A N ARG 137.A O no hydrogen 2.937 N/A TYR 124.A N VAL 112.A O no hydrogen 2.749 N/A ASN 125.A N ARG 134.A O no hydrogen 3.383 N/A LEU 126.A N ASN 110.A O no hydrogen 2.889 N/A GLY 131.A N THR 128.A O no hydrogen 3.260 N/A SER 136.A N ILE 123.A O no hydrogen 2.819 N/A LEU 139.A N CYS 121.A O no hydrogen 2.694 N/A TYR 145.A OH ASP 186.A OD2 no hydrogen 2.836 N/A LEU 146.A N GLY 116.A O no hydrogen 2.789 N/A SER 147.A N SER 160.A O no hydrogen 2.971 N/A SER 147.A OG SER 160.A OG no hydrogen 2.948 N/A SER 147.A OG VAL 187.A O no hydrogen 2.540 N/A SER 147.A OG MET 188.A O no hydrogen 3.093 N/A CYS 148.A SG CYS 149.A O no hydrogen 3.898 N/A CYS 148.A SG LEU 190.A O no hydrogen 3.647 N/A CYS 149.A N THR 102.A OG1 no hydrogen 3.381 N/A ARG 150.A N VAL 158.A O no hydrogen 3.294 N/A ARG 150.A NH1 CYS 103.A O no hydrogen 3.004 N/A ARG 150.A NH1 CYS 149.A O no hydrogen 2.459 N/A LEU 152.A N GLN 156.A O no hydrogen 2.774 N/A ASP 153.A N GLN 156.A O no hydrogen 3.294 N/A ASN 155.A ND2 ASP 170.A OD1 no hydrogen 2.449 N/A THR 159.A N ALA 167.A O no hydrogen 3.003 N/A SER 160.A N CYS 148.A O no hydrogen 3.055 N/A SER 160.A OG SER 147.A OG no hydrogen 2.948 N/A SER 161.A N THR 165.A O no hydrogen 3.328 N/A SER 161.A OG ASP 163.A OD1 no hydrogen 2.252 N/A SER 161.A OG THR 165.A O no hydrogen 3.296 N/A GLY 162.A N TYR 145.A O no hydrogen 2.639 N/A THR 164.A OG1 ASP 163.A O no hydrogen 2.469 N/A THR 164.A OG1 HIS 183.A O no hydrogen 3.462 N/A THR 165.A OG1 SER 161.A OG no hydrogen 3.318 N/A THR 165.A OG1 ASP 163.A OD1 no hydrogen 2.546 N/A THR 165.A OG1 ASP 163.A OD2 no hydrogen 2.934 N/A CYS 166.A N PHE 180.A O no hydrogen 2.925 N/A CYS 166.A SG THR 165.A O no hydrogen 3.271 N/A ALA 167.A N THR 159.A O no hydrogen 2.990 N/A LEU 168.A N THR 178.A O no hydrogen 2.812 N/A TRP 169.A N ILE 157.A O no hydrogen 2.890 N/A TRP 169.A NE1 THR 159.A OG1 no hydrogen 2.603 N/A GLU 172.A N ASN 155.A OD1 no hydrogen 2.711 N/A THR 173.A OG1 ASP 170.A OD2 no hydrogen 2.987 N/A THR 173.A OG1 GLU 172.A OE2 no hydrogen 2.706 N/A GLY 174.A N ASP 170.A O no hydrogen 2.373 N/A THR 177.A N LEU 168.A O no hydrogen 2.768 N/A THR 177.A OG1 LEU 168.A O no hydrogen 3.216 N/A THR 178.A N LEU 168.A O no hydrogen 3.436 N/A THR 179.A OG1 CYS 166.A O no hydrogen 3.284 N/A PHE 180.A N CYS 166.A O no hydrogen 2.620 N/A HIS 183.A NE2 SER 201.A OG no hydrogen 2.942 N/A THR 184.A OG1 ASP 205.A OD2 no hydrogen 3.236 N/A VAL 187.A N SER 161.A O no hydrogen 3.258 N/A MET 188.A N GLY 202.A O no hydrogen 3.010 N/A SER 191.A N VAL 200.A O no hydrogen 3.291 N/A SER 191.A OG LEU 192.A O no hydrogen 3.455 N/A ALA 193.A N LEU 198.A O no hydrogen 2.969 N/A THR 196.A N ALA 193.A O no hydrogen 2.874 N/A ARG 197.A N ASP 195.A OD1 no hydrogen 3.269 N/A ARG 197.A NH1 ARG 197.A O no hydrogen 3.143 N/A VAL 200.A N SER 191.A O no hydrogen 3.346 N/A SER 201.A N LYS 209.A O no hydrogen 3.256 N/A SER 201.A OG HIS 183.A NE2 no hydrogen 2.942 N/A GLY 202.A N SER 189.A O no hydrogen 3.316 N/A ALA 203.A N SER 207.A O no hydrogen 3.376 N/A CYS 204.A N ASP 186.A O no hydrogen 2.453 N/A CYS 204.A SG ASP 186.A O no hydrogen 3.514 N/A ALA 206.A N ALA 203.A O no hydrogen 3.421 N/A SER 207.A OG ASP 205.A OD1 no hydrogen 2.910 N/A SER 207.A OG ASP 205.A OD2 no hydrogen 2.720 N/A ALA 208.A N PHE 222.A O no hydrogen 2.883 N/A LEU 210.A N GLN 220.A O no hydrogen 3.159 N/A TRP 211.A N PHE 199.A O no hydrogen 3.039 N/A TRP 211.A NE1 SER 201.A OG no hydrogen 2.736 N/A GLU 215.A N ASP 212.A OD2 no hydrogen 3.420 N/A CYS 218.A SG LEU 210.A O no hydrogen 3.858 N/A CYS 218.A SG GLN 220.A O no hydrogen 3.113 N/A CYS 218.A SG THR 221.A OG1 no hydrogen 3.326 N/A ARG 219.A N LEU 210.A O no hydrogen 2.675 N/A PHE 222.A N ALA 208.A O no hydrogen 3.047 N/A HIS 225.A ND1 ASP 247.A OD2 no hydrogen 3.372 N/A GLU 226.A N ASP 247.A OD2 no hydrogen 3.340 N/A ILE 229.A N ALA 203.A O no hydrogen 3.320 N/A ASN 230.A N GLY 244.A O no hydrogen 3.297 N/A ALA 231.A N GLY 244.A O no hydrogen 3.315 N/A CYS 233.A N ALA 242.A O no hydrogen 3.339 N/A CYS 233.A SG PHE 234.A O no hydrogen 3.979 N/A PHE 234.A N SER 191.A OG no hydrogen 3.227 N/A PHE 235.A N ALA 240.A O no hydrogen 3.260 N/A GLY 238.A N PHE 235.A O no hydrogen 2.814 N/A ASN 239.A N ASN 237.A OD1 no hydrogen 2.517 N/A PHE 241.A N PHE 253.A O no hydrogen 3.201 N/A ALA 242.A N CYS 233.A O no hydrogen 3.208 N/A THR 243.A N ARG 251.A O no hydrogen 2.899 N/A THR 243.A OG1 ALA 231.A O no hydrogen 2.781 N/A GLY 244.A N ALA 231.A O no hydrogen 3.154 N/A SER 245.A N THR 249.A O no hydrogen 2.887 N/A SER 245.A OG SER 227.A O no hydrogen 2.816 N/A SER 245.A OG ASP 228.A O no hydrogen 3.156 N/A SER 245.A OG ASP 247.A OD1 no hydrogen 2.888 N/A ASP 246.A N ASP 228.A O no hydrogen 2.781 N/A ASP 247.A N SER 245.A OG no hydrogen 2.997 N/A THR 249.A OG1 TYR 264.A O no hydrogen 3.018 N/A CYS 250.A SG THR 243.A O no hydrogen 3.403 N/A CYS 250.A SG ARG 251.A O no hydrogen 3.912 N/A ARG 251.A N THR 243.A O no hydrogen 2.833 N/A ARG 251.A NE GLU 260.A OE1 no hydrogen 2.850 N/A ARG 251.A NH1 HIS 225.A ND1 no hydrogen 3.393 N/A ARG 251.A NH1 ASP 247.A OD2 no hydrogen 3.168 N/A LEU 252.A N MET 262.A O no hydrogen 3.211 N/A PHE 253.A N PHE 241.A O no hydrogen 3.048 N/A ARG 256.A N ASP 254.A OD1 no hydrogen 3.135 N/A ASP 258.A N ASP 254.A O no hydrogen 2.812 N/A LEU 261.A N LEU 252.A O no hydrogen 2.900 N/A THR 263.A OG1 CYS 250.A O no hydrogen 3.127 N/A TYR 264.A N CYS 250.A O no hydrogen 3.000 N/A TYR 264.A N THR 263.A OG1 no hydrogen 2.758 N/A TYR 264.A OH ALA 299.A O no hydrogen 2.206 N/A GLY 272.A N ASP 290.A OD2 no hydrogen 3.285 N/A THR 274.A OG1 ASP 290.A OD1 no hydrogen 3.291 N/A SER 277.A N LEU 286.A O no hydrogen 3.289 N/A GLY 282.A N SER 279.A O no hydrogen 3.276 N/A LEU 285.A N TRP 297.A O no hydrogen 2.534 N/A LEU 286.A N SER 277.A O no hydrogen 3.051 N/A ALA 287.A N ASN 295.A O no hydrogen 3.156 N/A GLY 288.A N SER 275.A O no hydrogen 2.726 N/A VAL 296.A N GLY 306.A O no hydrogen 3.051 N/A TRP 297.A N LEU 285.A O no hydrogen 2.516 N/A TRP 297.A NE1 TYR 289.A OH no hydrogen 3.037 N/A ALA 299.A N ARG 283.A O no hydrogen 3.255 N/A LYS 301.A NZ ASP 38.A O no hydrogen 3.122 N/A ARG 304.A NH1 HIS 266.A ND1 no hydrogen 3.012 N/A ALA 305.A N VAL 296.A O no hydrogen 3.107 N/A LEU 308.A N CYS 294.A O no hydrogen 3.225 N/A HIS 311.A ND1 ASP 333.A OD2 no hydrogen 3.254 N/A HIS 311.A NE2 THR 329.A O no hydrogen 2.773 N/A HIS 311.A NE2 THR 329.A OG1 no hydrogen 2.935 N/A ASP 312.A N ASP 333.A OD2 no hydrogen 3.464 N/A ARG 314.A N ASN 313.A OD1 no hydrogen 2.909 N/A VAL 315.A N TYR 289.A O no hydrogen 3.347 N/A SER 316.A OG ILE 58.A O no hydrogen 2.500 N/A CYS 317.A SG SER 316.A OG no hydrogen 3.726 N/A GLY 319.A N ALA 328.A O no hydrogen 3.136 N/A THR 321.A N ALA 326.A O no hydrogen 3.262 N/A THR 321.A OG1 ASP 323.A OD1 no hydrogen 2.505 N/A MET 325.A N ASP 323.A OD1 no hydrogen 3.258 N/A ALA 326.A N THR 321.A OG1 no hydrogen 3.425 N/A VAL 327.A N TRP 339.A O no hydrogen 3.043 N/A ALA 328.A N GLY 319.A O no hydrogen 3.291 N/A THR 329.A N LYS 337.A O no hydrogen 3.160 N/A THR 329.A OG1 HIS 311.A NE2 no hydrogen 2.935 N/A THR 329.A OG1 THR 329.A O no hydrogen 2.496 N/A SER 331.A OG ASN 313.A O no hydrogen 3.087 N/A SER 331.A OG ARG 314.A O no hydrogen 2.256 N/A SER 331.A OG ASP 333.A OD1 no hydrogen 3.380 N/A TRP 332.A N ARG 314.A O no hydrogen 2.742 N/A SER 334.A N SER 331.A O no hydrogen 3.022 N/A SER 334.A OG HIS 54.A O no hydrogen 3.249 N/A SER 334.A OG ASP 333.A O no hydrogen 2.450 N/A LEU 336.A N LEU 51.A O no hydrogen 3.178 N/A ILE 338.A N ARG 49.A O no hydrogen 2.752 N/A TRP 339.A N VAL 327.A O no hydrogen 2.729 N/A TRP 339.A NE1 THR 329.A OG1 no hydrogen 3.159 N/A