Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7s3i_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 3.A N GLN 1.A OE1 no hydrogen 2.539 N/A ASP 5.A N GLN 1.A O no hydrogen 3.224 N/A GLN 6.A N SER 2.A O no hydrogen 2.897 N/A GLN 6.A NE2 GLU 3.A O no hydrogen 2.988 N/A LEU 7.A N GLU 3.A O no hydrogen 2.912 N/A ARG 8.A N LEU 4.A O no hydrogen 2.912 N/A GLN 9.A N ASP 5.A O no hydrogen 2.908 N/A GLN 9.A NE2 GLU 12.A OE2 no hydrogen 2.370 N/A GLU 10.A N GLN 6.A O no hydrogen 2.887 N/A ALA 11.A N LEU 7.A O no hydrogen 2.901 N/A GLU 12.A N ARG 8.A O no hydrogen 2.923 N/A GLN 13.A N GLN 9.A O no hydrogen 2.922 N/A LEU 14.A N GLU 10.A O no hydrogen 2.900 N/A LYS 15.A N ALA 11.A O no hydrogen 2.909 N/A ASN 16.A N GLU 12.A O no hydrogen 2.900 N/A GLN 17.A N GLN 13.A O no hydrogen 2.920 N/A ILE 18.A N LEU 14.A O no hydrogen 2.904 N/A ARG 19.A N LYS 15.A O no hydrogen 2.899 N/A ARG 19.A NH2 ASN 16.A OD1 no hydrogen 3.070 N/A ASP 20.A N ASN 16.A O no hydrogen 2.903 N/A ALA 21.A N GLN 17.A O no hydrogen 2.901 N/A ARG 22.A N ILE 18.A O no hydrogen 2.912 N/A ARG 22.A NE ASP 258.A O no hydrogen 2.447 N/A ARG 22.A NE ASP 258.A OD2 no hydrogen 2.764 N/A ARG 22.A NH2 THR 221.A O no hydrogen 2.718 N/A ARG 22.A NH2 ASP 258.A OD2 no hydrogen 2.875 N/A LYS 23.A N ARG 19.A O no hydrogen 2.945 N/A ALA 24.A N ASP 20.A O no hydrogen 3.044 N/A CYS 25.A N ARG 22.A O no hydrogen 3.253 N/A CYS 25.A SG ALA 21.A O no hydrogen 3.606 N/A ALA 26.A N LYS 23.A O no hydrogen 3.144 N/A ALA 28.A N ASP 27.A OD1 no hydrogen 2.760 N/A THR 29.A OG1 SER 31.A OG no hydrogen 2.904 N/A THR 29.A OG1 GLN 32.A OE1 no hydrogen 3.384 N/A SER 31.A OG THR 29.A OG1 no hydrogen 2.904 N/A GLN 32.A N THR 29.A OG1 no hydrogen 3.408 N/A ILE 33.A N THR 29.A O no hydrogen 3.131 N/A THR 34.A N LEU 30.A O no hydrogen 3.180 N/A THR 34.A OG1 LEU 30.A O no hydrogen 3.138 N/A THR 34.A OG1 LEU 300.A O no hydrogen 2.432 N/A ILE 43.A N ALA 305.A O no hydrogen 3.042 N/A ARG 46.A NH1 GLN 44.A O no hydrogen 3.135 N/A ARG 48.A N ILE 338.A O no hydrogen 2.613 N/A ARG 49.A NE SER 84.A O no hydrogen 3.314 N/A ARG 49.A NE TYR 85.A O no hydrogen 3.212 N/A ARG 49.A NH1 ARG 48.A O no hydrogen 3.538 N/A ARG 49.A NH2 TYR 85.A O no hydrogen 2.840 N/A LEU 51.A N LEU 336.A O no hydrogen 2.657 N/A HIS 54.A NE2 SER 72.A OG no hydrogen 2.551 N/A LEU 55.A N ASP 76.A OD2 no hydrogen 3.020 N/A ILE 58.A N SER 331.A O no hydrogen 3.358 N/A TYR 59.A N ALA 73.A O no hydrogen 3.223 N/A HIS 62.A N VAL 71.A O no hydrogen 2.972 N/A TRP 63.A NE1 GLY 319.A O no hydrogen 3.074 N/A GLY 64.A N LEU 69.A O no hydrogen 2.637 N/A THR 65.A OG1 PRO 107.A O no hydrogen 2.623 N/A SER 67.A N GLY 64.A O no hydrogen 3.049 N/A SER 67.A OG ASP 323.A OD1 no hydrogen 3.051 N/A ARG 68.A N ASP 66.A OD1 no hydrogen 3.201 N/A ARG 68.A NE ASP 83.A OD1 no hydrogen 2.757 N/A ARG 68.A NE ASP 83.A OD2 no hydrogen 3.471 N/A ARG 68.A NH2 ASP 83.A OD2 no hydrogen 3.251 N/A LEU 69.A N ASP 66.A OD1 no hydrogen 3.336 N/A LEU 70.A N TRP 82.A O no hydrogen 3.271 N/A VAL 71.A N HIS 62.A O no hydrogen 3.150 N/A SER 72.A N ILE 80.A O no hydrogen 2.937 N/A SER 72.A OG HIS 54.A NE2 no hydrogen 2.551 N/A SER 72.A OG ILE 80.A O no hydrogen 3.534 N/A ALA 73.A N ALA 60.A O no hydrogen 2.991 N/A SER 74.A N LYS 78.A O no hydrogen 3.341 N/A SER 74.A OG HIS 54.A ND1 no hydrogen 2.600 N/A SER 74.A OG ASP 76.A OD1 no hydrogen 2.223 N/A GLN 75.A N LYS 57.A O no hydrogen 2.999 N/A GLN 75.A NE2 VAL 100.A O no hydrogen 2.300 N/A GLY 77.A N SER 74.A O no hydrogen 3.159 N/A LEU 79.A N ILE 93.A O no hydrogen 2.778 N/A ILE 80.A N SER 72.A O no hydrogen 3.127 N/A ILE 81.A N HIS 91.A O no hydrogen 3.098 N/A TRP 82.A N LEU 70.A O no hydrogen 2.729 N/A TRP 82.A NE1 SER 72.A OG no hydrogen 2.782 N/A ASP 83.A N ASN 88.A O no hydrogen 2.794 N/A SER 84.A N ARG 68.A O no hydrogen 3.172 N/A SER 84.A OG ARG 68.A O no hydrogen 2.499 N/A THR 86.A N ASP 83.A O no hydrogen 3.022 N/A THR 87.A OG1 THR 86.A O no hydrogen 2.476 N/A LYS 89.A NZ ARG 52.A O no hydrogen 3.257 N/A VAL 90.A N ILE 81.A O no hydrogen 2.766 N/A ILE 93.A N LEU 79.A O no hydrogen 2.582 N/A LEU 95.A N GLY 77.A O no hydrogen 2.791 N/A SER 98.A OG GLN 75.A O no hydrogen 3.515 N/A MET 101.A N GLY 115.A O no hydrogen 2.604 N/A THR 102.A N GLY 115.A O no hydrogen 3.041 N/A CYS 103.A SG VAL 71.A O no hydrogen 3.661 N/A ALA 104.A N ALA 113.A O no hydrogen 2.846 N/A TYR 105.A N HIS 62.A ND1 no hydrogen 2.911 N/A ALA 106.A N TYR 111.A O no hydrogen 2.887 N/A SER 108.A OG ASP 154.A OD1 no hydrogen 2.649 N/A SER 108.A OG ASP 154.A OD2 no hydrogen 3.213 N/A GLY 109.A N ALA 106.A O no hydrogen 2.914 N/A ASN 110.A ND2 ASP 154.A OD2 no hydrogen 3.296 N/A VAL 112.A N TYR 124.A O no hydrogen 3.212 N/A ALA 113.A N ALA 104.A O no hydrogen 2.803 N/A CYS 114.A N SER 122.A O no hydrogen 3.078 N/A GLY 115.A N THR 102.A O no hydrogen 3.301 N/A LEU 117.A N TRP 99.A O no hydrogen 2.815 N/A CYS 121.A N LEU 139.A O no hydrogen 2.982 N/A SER 122.A N CYS 114.A O no hydrogen 2.880 N/A ILE 123.A N ARG 137.A O no hydrogen 2.789 N/A TYR 124.A N VAL 112.A O no hydrogen 2.790 N/A ASN 125.A N ARG 134.A O no hydrogen 3.255 N/A LEU 126.A N ASN 110.A O no hydrogen 2.851 N/A SER 136.A N ILE 123.A O no hydrogen 2.584 N/A ARG 137.A N ILE 123.A O no hydrogen 3.290 N/A LEU 139.A N CYS 121.A O no hydrogen 2.907 N/A HIS 142.A ND1 ASP 163.A OD2 no hydrogen 3.279 N/A HIS 142.A NE2 THR 159.A OG1 no hydrogen 2.728 N/A THR 143.A N ASP 163.A OD2 no hydrogen 3.064 N/A THR 143.A OG1 ASP 163.A OD2 no hydrogen 3.208 N/A TYR 145.A OH ASP 186.A OD2 no hydrogen 2.619 N/A LEU 146.A N GLY 116.A O no hydrogen 2.870 N/A SER 147.A N SER 160.A O no hydrogen 2.933 N/A SER 147.A OG SER 160.A O no hydrogen 3.097 N/A SER 147.A OG SER 160.A OG no hydrogen 3.023 N/A SER 147.A OG VAL 187.A O no hydrogen 2.322 N/A CYS 148.A N SER 160.A O no hydrogen 3.414 N/A CYS 148.A SG LEU 190.A O no hydrogen 3.936 N/A ARG 150.A N VAL 158.A O no hydrogen 2.959 N/A ARG 150.A NH1 CYS 103.A O no hydrogen 3.296 N/A ARG 150.A NH1 CYS 149.A O no hydrogen 2.492 N/A LEU 152.A N GLN 156.A O no hydrogen 3.063 N/A ASP 153.A N GLN 156.A O no hydrogen 3.492 N/A GLN 156.A N ASP 153.A O no hydrogen 3.480 N/A VAL 158.A N ARG 150.A O no hydrogen 2.969 N/A THR 159.A N ALA 167.A O no hydrogen 2.949 N/A THR 159.A OG1 HIS 142.A NE2 no hydrogen 2.728 N/A SER 160.A N CYS 148.A O no hydrogen 2.936 N/A SER 160.A OG SER 147.A OG no hydrogen 3.023 N/A SER 161.A N THR 165.A O no hydrogen 3.184 N/A SER 161.A OG GLY 144.A O no hydrogen 2.820 N/A SER 161.A OG TYR 145.A O no hydrogen 2.997 N/A GLY 162.A N TYR 145.A O no hydrogen 2.707 N/A THR 164.A OG1 ASP 163.A O no hydrogen 2.425 N/A THR 165.A N ASP 163.A OD1 no hydrogen 3.222 N/A THR 165.A OG1 ASP 163.A OD1 no hydrogen 2.717 N/A CYS 166.A N PHE 180.A O no hydrogen 2.938 N/A ALA 167.A N THR 159.A O no hydrogen 2.869 N/A LEU 168.A N THR 178.A O no hydrogen 2.771 N/A TRP 169.A N ILE 157.A O no hydrogen 2.907 N/A TRP 169.A NE1 THR 159.A OG1 no hydrogen 2.671 N/A ASP 170.A N GLN 175.A O no hydrogen 3.156 N/A ILE 171.A N ASN 155.A O no hydrogen 3.419 N/A GLU 172.A N ASN 155.A OD1 no hydrogen 2.794 N/A THR 173.A OG1 ASP 170.A O no hydrogen 3.512 N/A GLY 174.A N ASP 170.A O no hydrogen 2.602 N/A GLN 175.A N THR 173.A OG1 no hydrogen 3.241 N/A GLN 175.A NE2 THR 173.A O no hydrogen 3.068 N/A THR 177.A N LEU 168.A O no hydrogen 2.780 N/A THR 177.A OG1 LEU 168.A O no hydrogen 3.424 N/A THR 178.A N LEU 168.A O no hydrogen 3.456 N/A THR 179.A OG1 GLN 176.A OE1 no hydrogen 2.805 N/A PHE 180.A N CYS 166.A O no hydrogen 2.518 N/A HIS 183.A ND1 ASP 205.A OD2 no hydrogen 3.196 N/A HIS 183.A NE2 SER 201.A OG no hydrogen 2.751 N/A THR 184.A N ASP 205.A OD2 no hydrogen 3.075 N/A THR 184.A OG1 ASP 205.A OD2 no hydrogen 3.299 N/A VAL 187.A N SER 161.A O no hydrogen 3.297 N/A MET 188.A N GLY 202.A O no hydrogen 2.840 N/A SER 189.A N GLY 202.A O no hydrogen 3.437 N/A SER 191.A N VAL 200.A O no hydrogen 2.990 N/A ALA 193.A N LEU 198.A O no hydrogen 2.924 N/A THR 196.A N ALA 193.A O no hydrogen 2.903 N/A THR 196.A OG1 ASP 195.A O no hydrogen 2.427 N/A ARG 197.A N ASP 195.A OD1 no hydrogen 2.930 N/A ARG 197.A NH1 THR 196.A O no hydrogen 3.269 N/A PHE 199.A N TRP 211.A O no hydrogen 3.361 N/A VAL 200.A N SER 191.A O no hydrogen 3.106 N/A SER 201.A N LYS 209.A O no hydrogen 3.088 N/A SER 201.A OG HIS 183.A NE2 no hydrogen 2.751 N/A GLY 202.A N SER 189.A O no hydrogen 3.102 N/A ALA 203.A N SER 207.A O no hydrogen 3.363 N/A CYS 204.A N ASP 186.A O no hydrogen 2.748 N/A CYS 204.A SG ASP 186.A O no hydrogen 3.547 N/A SER 207.A N ASP 205.A OD1 no hydrogen 3.171 N/A SER 207.A OG ASP 205.A OD1 no hydrogen 2.816 N/A SER 207.A OG ASP 205.A OD2 no hydrogen 3.279 N/A ALA 208.A N PHE 222.A O no hydrogen 2.870 N/A LYS 209.A N SER 201.A O no hydrogen 3.123 N/A LYS 209.A NZ THR 221.A OG1 no hydrogen 2.927 N/A LEU 210.A N GLN 220.A O no hydrogen 2.856 N/A TRP 211.A N PHE 199.A O no hydrogen 2.912 N/A TRP 211.A NE1 SER 201.A OG no hydrogen 2.782 N/A ASP 212.A N MET 217.A O no hydrogen 2.958 N/A VAL 213.A N ARG 197.A O no hydrogen 3.212 N/A GLU 215.A N ASP 212.A OD1 no hydrogen 2.991 N/A GLY 216.A N ASP 212.A O no hydrogen 2.649 N/A CYS 218.A SG LEU 210.A O no hydrogen 4.016 N/A CYS 218.A SG GLN 220.A O no hydrogen 3.278 N/A CYS 218.A SG THR 221.A OG1 no hydrogen 3.535 N/A ARG 219.A N LEU 210.A O no hydrogen 2.681 N/A ARG 219.A NE ASP 212.A OD2 no hydrogen 2.912 N/A ARG 219.A NH2 ASP 212.A OD2 no hydrogen 2.933 N/A GLN 220.A NE2 LEU 255.A O no hydrogen 2.803 N/A GLN 220.A NE2 ASP 258.A OD1 no hydrogen 2.338 N/A PHE 222.A N ALA 208.A O no hydrogen 2.598 N/A HIS 225.A NE2 THR 243.A OG1 no hydrogen 2.642 N/A GLU 226.A N ASP 247.A OD2 no hydrogen 3.424 N/A ILE 229.A N ALA 203.A O no hydrogen 3.110 N/A ASN 230.A N GLY 244.A O no hydrogen 2.763 N/A ASN 230.A ND2 ASP 246.A OD1 no hydrogen 2.903 N/A ASN 230.A ND2 ILE 273.A O no hydrogen 2.918 N/A ALA 231.A N GLY 244.A O no hydrogen 3.117 N/A CYS 233.A N ALA 242.A O no hydrogen 2.965 N/A CYS 233.A SG PHE 234.A O no hydrogen 3.757 N/A PHE 235.A N ALA 240.A O no hydrogen 2.629 N/A GLY 238.A N PHE 235.A O no hydrogen 2.896 N/A PHE 241.A N PHE 253.A O no hydrogen 2.968 N/A ALA 242.A N CYS 233.A O no hydrogen 2.719 N/A THR 243.A N ARG 251.A O no hydrogen 2.906 N/A THR 243.A OG1 HIS 225.A NE2 no hydrogen 2.642 N/A THR 243.A OG1 ARG 251.A O no hydrogen 3.541 N/A GLY 244.A N ALA 231.A O no hydrogen 3.030 N/A SER 245.A N THR 249.A O no hydrogen 3.479 N/A SER 245.A OG HIS 225.A ND1 no hydrogen 2.805 N/A ASP 246.A N ASP 228.A O no hydrogen 2.873 N/A THR 249.A OG1 ASP 247.A OD1 no hydrogen 2.860 N/A THR 249.A OG1 ASP 247.A OD2 no hydrogen 2.959 N/A CYS 250.A N TYR 264.A O no hydrogen 2.985 N/A ARG 251.A N THR 243.A O no hydrogen 3.107 N/A ARG 251.A NE HIS 225.A ND1 no hydrogen 3.182 N/A ARG 251.A NE THR 249.A OG1 no hydrogen 3.247 N/A ARG 251.A NH1 GLU 260.A OE1 no hydrogen 3.512 N/A ARG 251.A NH1 GLU 260.A OE2 no hydrogen 3.454 N/A ARG 251.A NH2 ASP 247.A OD2 no hydrogen 3.359 N/A LEU 252.A N MET 262.A O no hydrogen 2.966 N/A PHE 253.A N PHE 241.A O no hydrogen 2.832 N/A ASP 254.A N GLN 259.A O no hydrogen 2.964 N/A LEU 255.A N ASN 239.A O no hydrogen 2.860 N/A ALA 257.A N ASP 254.A OD1 no hydrogen 3.040 N/A ASP 258.A N ASP 254.A O no hydrogen 2.876 N/A GLN 259.A NE2 ARG 22.A O no hydrogen 2.877 N/A GLN 259.A NE2 ALA 257.A O no hydrogen 3.050 N/A LEU 261.A N LEU 252.A O no hydrogen 2.782 N/A THR 263.A OG1 GLU 260.A OE2 no hydrogen 2.454 N/A TYR 264.A N CYS 250.A O no hydrogen 2.556 N/A TYR 264.A OH ALA 299.A O no hydrogen 2.597 N/A ASN 268.A N HIS 266.A ND1 no hydrogen 3.149 N/A ILE 269.A N HIS 266.A O no hydrogen 3.200 N/A CYS 271.A SG GLY 272.A O no hydrogen 3.950 N/A CYS 271.A SG ASP 291.A OD2 no hydrogen 3.095 N/A GLY 272.A N ASP 290.A OD2 no hydrogen 3.151 N/A ILE 273.A N SER 245.A O no hydrogen 3.042 N/A THR 274.A N GLY 288.A O no hydrogen 3.048 N/A THR 274.A OG1 VAL 315.A O no hydrogen 2.337 N/A SER 277.A N LEU 286.A O no hydrogen 2.778 N/A SER 277.A OG PHE 278.A O no hydrogen 3.343 N/A SER 279.A N LEU 284.A O no hydrogen 3.068 N/A GLY 282.A N SER 279.A O no hydrogen 3.203 N/A ARG 283.A NE ASP 298.A OD1 no hydrogen 2.758 N/A ARG 283.A NH2 ASP 38.A O no hydrogen 3.250 N/A ARG 283.A NH2 ASP 298.A OD2 no hydrogen 3.302 N/A LEU 284.A N SER 279.A OG no hydrogen 3.193 N/A LEU 285.A N TRP 297.A O no hydrogen 2.689 N/A LEU 286.A N SER 277.A O no hydrogen 2.731 N/A ALA 287.A N ASN 295.A O no hydrogen 3.059 N/A GLY 288.A N SER 275.A O no hydrogen 2.655 N/A ASP 290.A N GLY 272.A O no hydrogen 2.925 N/A ASN 293.A N ASP 291.A OD1 no hydrogen 3.457 N/A CYS 294.A N LEU 308.A O no hydrogen 2.926 N/A ASN 295.A N ALA 287.A O no hydrogen 2.979 N/A VAL 296.A N GLY 306.A O no hydrogen 2.757 N/A TRP 297.A N LEU 285.A O no hydrogen 2.696 N/A TRP 297.A NE1 TYR 289.A OH no hydrogen 3.052 N/A ASP 298.A N ASP 303.A O no hydrogen 3.254 N/A ALA 299.A N ARG 283.A O no hydrogen 2.678 N/A LEU 300.A N ASP 298.A OD1 no hydrogen 3.267 N/A LYS 301.A NZ THR 34.A O no hydrogen 3.332 N/A LYS 301.A NZ ILE 37.A O no hydrogen 3.196 N/A ARG 304.A NH1 ASN 295.A OD1 no hydrogen 3.453 N/A ALA 305.A N VAL 296.A O no hydrogen 2.792 N/A GLY 306.A N VAL 296.A O no hydrogen 3.369 N/A LEU 308.A N CYS 294.A O no hydrogen 2.676 N/A HIS 311.A NE2 THR 329.A OG1 no hydrogen 2.760 N/A ASP 312.A N ASP 333.A OD2 no hydrogen 3.028 N/A ARG 314.A N ASN 313.A OD1 no hydrogen 2.734 N/A ARG 314.A NE ASP 290.A OD1 no hydrogen 2.683 N/A ARG 314.A NH2 ASP 290.A OD1 no hydrogen 2.874 N/A SER 316.A N GLY 330.A O no hydrogen 3.111 N/A SER 316.A OG ILE 58.A O no hydrogen 2.242 N/A CYS 317.A N GLY 330.A O no hydrogen 3.528 N/A CYS 317.A SG TYR 59.A O no hydrogen 3.421 N/A CYS 317.A SG SER 316.A OG no hydrogen 3.739 N/A GLY 319.A N ALA 328.A O no hydrogen 2.968 N/A THR 321.A N ALA 326.A O no hydrogen 3.030 N/A THR 321.A OG1 ASP 323.A OD1 no hydrogen 2.626 N/A THR 321.A OG1 ALA 326.A O no hydrogen 3.408 N/A ASP 323.A N SER 67.A OG no hydrogen 3.253 N/A GLY 324.A N THR 321.A O no hydrogen 2.860 N/A MET 325.A N THR 321.A OG1 no hydrogen 2.724 N/A MET 325.A N ASP 323.A OD1 no hydrogen 3.085 N/A ALA 326.A N THR 321.A OG1 no hydrogen 3.223 N/A VAL 327.A N TRP 339.A O no hydrogen 3.138 N/A ALA 328.A N GLY 319.A O no hydrogen 2.910 N/A THR 329.A N LYS 337.A O no hydrogen 2.975 N/A THR 329.A OG1 HIS 311.A NE2 no hydrogen 2.760 N/A GLY 330.A N CYS 317.A O no hydrogen 2.763 N/A SER 331.A OG ASN 313.A O no hydrogen 2.943 N/A SER 331.A OG ARG 314.A O no hydrogen 2.726 N/A TRP 332.A N ARG 314.A O no hydrogen 2.764 N/A SER 334.A N SER 331.A O no hydrogen 3.289 N/A SER 334.A OG HIS 54.A O no hydrogen 3.336 N/A SER 334.A OG ASP 333.A O no hydrogen 2.465 N/A PHE 335.A N ASP 333.A OD1 no hydrogen 3.152 N/A LEU 336.A N LEU 51.A O no hydrogen 3.235 N/A LYS 337.A N THR 329.A O no hydrogen 3.059 N/A ILE 338.A N ARG 49.A O no hydrogen 2.954 N/A TRP 339.A N VAL 327.A O no hydrogen 2.720 N/A TRP 339.A NE1 THR 329.A OG1 no hydrogen 2.785 N/A ASN 340.A N ARG 46.A O no hydrogen 3.024 N/A