Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8jiu_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A NE2 GLU 2.A O no hydrogen 3.491 N/A LEU 6.A N GLU 2.A O no hydrogen 2.633 N/A ARG 7.A N LEU 3.A O no hydrogen 3.157 N/A GLU 9.A N GLN 5.A O no hydrogen 3.492 N/A ALA 10.A N LEU 6.A O no hydrogen 3.473 N/A GLU 11.A N ARG 7.A O no hydrogen 2.847 N/A GLN 12.A N GLN 8.A O no hydrogen 2.565 N/A GLN 12.A NE2 GLU 11.A OE2 no hydrogen 2.570 N/A LEU 13.A N GLU 9.A O no hydrogen 2.853 N/A LYS 14.A N ALA 10.A O no hydrogen 2.598 N/A ASN 15.A N GLU 11.A O no hydrogen 2.968 N/A ASN 15.A ND2 GLU 11.A OE1 no hydrogen 3.114 N/A ASN 15.A ND2 GLN 12.A OE1 no hydrogen 3.648 N/A GLN 16.A N GLN 12.A O no hydrogen 2.999 N/A ILE 17.A N LEU 13.A O no hydrogen 2.824 N/A ARG 18.A N LYS 14.A O no hydrogen 2.797 N/A ASP 19.A N ASN 15.A O no hydrogen 2.877 N/A ALA 20.A N GLN 16.A O no hydrogen 2.952 N/A ARG 21.A N ILE 17.A O no hydrogen 3.060 N/A LYS 22.A N ARG 18.A O no hydrogen 3.050 N/A LYS 22.A N ASP 19.A O no hydrogen 3.122 N/A LYS 22.A NZ ASP 19.A O no hydrogen 3.188 N/A LYS 22.A NZ ASP 19.A OD1 no hydrogen 3.218 N/A ALA 23.A N ASP 19.A O no hydrogen 2.767 N/A ALA 23.A N ALA 20.A O no hydrogen 3.323 N/A CYS 24.A N ALA 20.A O no hydrogen 3.297 N/A CYS 24.A SG ALA 20.A O no hydrogen 3.883 N/A CYS 24.A SG ARG 21.A O no hydrogen 3.370 N/A CYS 24.A SG ALA 256.A O no hydrogen 4.020 N/A ASP 26.A N CYS 24.A O no hydrogen 3.046 N/A THR 28.A OG1 SER 30.A OG no hydrogen 2.762 N/A SER 30.A OG THR 28.A OG1 no hydrogen 2.762 N/A GLN 31.A N THR 28.A OG1 no hydrogen 3.073 N/A THR 33.A N SER 30.A O no hydrogen 2.704 N/A THR 33.A OG1 LEU 29.A O no hydrogen 2.958 N/A THR 33.A OG1 SER 30.A O no hydrogen 2.609 N/A THR 33.A OG1 LEU 299.A O no hydrogen 3.434 N/A ASN 34.A N GLN 31.A O no hydrogen 3.046 N/A ASN 35.A ND2 ILE 32.A O no hydrogen 3.486 N/A ILE 36.A N THR 33.A O no hydrogen 2.655 N/A ILE 42.A N ALA 304.A O no hydrogen 3.278 N/A ARG 47.A N ILE 337.A O no hydrogen 2.940 N/A ARG 47.A NE ARG 45.A O no hydrogen 3.051 N/A ARG 48.A NE SER 83.A O no hydrogen 3.132 N/A ARG 48.A NH2 TYR 84.A O no hydrogen 3.042 N/A HIS 53.A NE2 SER 71.A OG no hydrogen 2.354 N/A LEU 54.A N ASP 75.A OD2 no hydrogen 2.979 N/A ALA 55.A N ASP 75.A OD2 no hydrogen 3.456 N/A ILE 57.A N SER 330.A O no hydrogen 3.084 N/A TYR 58.A N ALA 72.A O no hydrogen 3.067 N/A HIS 61.A N VAL 70.A O no hydrogen 3.025 N/A TRP 62.A NE1 GLY 318.A O no hydrogen 3.108 N/A GLY 63.A N LEU 68.A O no hydrogen 2.881 N/A THR 64.A OG1 PRO 106.A O no hydrogen 2.818 N/A SER 66.A N GLY 63.A O no hydrogen 3.118 N/A SER 66.A OG ASP 65.A O no hydrogen 2.421 N/A SER 66.A OG ASP 322.A OD1 no hydrogen 3.399 N/A SER 66.A OG ASP 322.A OD2 no hydrogen 3.286 N/A ARG 67.A N ASP 65.A OD1 no hydrogen 3.194 N/A LEU 68.A N ASP 65.A OD1 no hydrogen 3.436 N/A VAL 70.A N HIS 61.A O no hydrogen 3.089 N/A SER 71.A N ILE 79.A O no hydrogen 2.895 N/A SER 71.A OG HIS 53.A NE2 no hydrogen 2.354 N/A SER 71.A OG ILE 79.A O no hydrogen 3.413 N/A ALA 72.A N ALA 59.A O no hydrogen 2.907 N/A SER 73.A N LYS 77.A O no hydrogen 3.422 N/A SER 73.A OG HIS 53.A ND1 no hydrogen 2.553 N/A SER 73.A OG ASP 75.A OD1 no hydrogen 2.311 N/A GLN 74.A N LYS 56.A O no hydrogen 3.216 N/A GLY 76.A N SER 73.A O no hydrogen 3.471 N/A LYS 77.A N ASP 75.A OD1 no hydrogen 3.246 N/A LEU 78.A N ILE 92.A O no hydrogen 3.051 N/A ILE 79.A N SER 71.A O no hydrogen 3.110 N/A ILE 80.A N HIS 90.A O no hydrogen 2.962 N/A TRP 81.A N LEU 69.A O no hydrogen 2.787 N/A TRP 81.A NE1 SER 71.A OG no hydrogen 3.164 N/A SER 83.A N ARG 67.A O no hydrogen 2.694 N/A TYR 84.A N ASP 82.A OD1 no hydrogen 3.246 N/A THR 86.A N ASP 82.A O no hydrogen 2.844 N/A VAL 89.A N ILE 80.A O no hydrogen 2.852 N/A ILE 92.A N LEU 78.A O no hydrogen 3.422 N/A VAL 99.A N SER 97.A O no hydrogen 3.041 N/A MET 100.A N GLY 114.A O no hydrogen 2.700 N/A CYS 102.A SG ALA 59.A O no hydrogen 3.420 N/A CYS 102.A SG VAL 70.A O no hydrogen 3.899 N/A ALA 103.A N ALA 112.A O no hydrogen 2.926 N/A TYR 104.A N HIS 61.A ND1 no hydrogen 2.966 N/A ALA 105.A N TYR 110.A O no hydrogen 2.862 N/A SER 107.A OG ASP 153.A OD1 no hydrogen 2.758 N/A SER 107.A OG ASP 153.A OD2 no hydrogen 2.657 N/A GLY 108.A N ALA 105.A O no hydrogen 2.991 N/A ASN 109.A ND2 SER 107.A O no hydrogen 2.865 N/A VAL 111.A N TYR 123.A O no hydrogen 3.077 N/A ALA 112.A N ALA 103.A O no hydrogen 3.204 N/A CYS 113.A N SER 121.A O no hydrogen 2.868 N/A CYS 113.A SG SER 121.A O no hydrogen 3.824 N/A GLY 115.A N ASP 117.A OD1 no hydrogen 3.108 N/A LEU 116.A N TRP 98.A O no hydrogen 3.112 N/A ASN 118.A N GLY 115.A O no hydrogen 3.451 N/A ILE 119.A N ASP 117.A OD1 no hydrogen 3.445 N/A CYS 120.A N LEU 138.A O no hydrogen 2.907 N/A CYS 120.A SG CYS 113.A O no hydrogen 3.753 N/A ILE 122.A N ARG 136.A O no hydrogen 3.187 N/A TYR 123.A N VAL 111.A O no hydrogen 2.606 N/A ASN 124.A N ARG 133.A O no hydrogen 3.343 N/A LEU 125.A N ASN 109.A O no hydrogen 2.977 N/A LYS 126.A N ASN 124.A OD1 no hydrogen 3.212 N/A THR 127.A OG1 GLY 130.A O no hydrogen 3.069 N/A THR 127.A OG1 ASN 131.A O no hydrogen 2.909 N/A SER 135.A N ILE 122.A O no hydrogen 2.988 N/A SER 135.A OG ILE 122.A O no hydrogen 3.391 N/A LEU 138.A N CYS 120.A O no hydrogen 3.390 N/A HIS 141.A NE2 THR 158.A OG1 no hydrogen 2.921 N/A THR 142.A N ASP 162.A OD2 no hydrogen 2.784 N/A THR 142.A OG1 ASP 162.A OD2 no hydrogen 3.421 N/A GLY 143.A N ASP 162.A OD2 no hydrogen 3.262 N/A LEU 145.A N GLY 115.A O no hydrogen 3.068 N/A SER 146.A OG SER 159.A OG no hydrogen 2.910 N/A SER 146.A OG VAL 186.A O no hydrogen 2.624 N/A SER 146.A OG MET 187.A O no hydrogen 2.829 N/A CYS 147.A SG LEU 189.A O no hydrogen 3.667 N/A CYS 148.A N THR 101.A OG1 no hydrogen 3.329 N/A CYS 148.A SG THR 101.A OG1 no hydrogen 3.739 N/A ARG 149.A N VAL 157.A O no hydrogen 3.023 N/A ARG 149.A NH1 CYS 102.A O no hydrogen 2.888 N/A ARG 149.A NH1 CYS 148.A O no hydrogen 2.722 N/A LEU 151.A N GLN 155.A O no hydrogen 3.262 N/A ASN 154.A N ASP 152.A OD1 no hydrogen 3.308 N/A GLN 155.A N ASP 152.A OD1 no hydrogen 3.042 N/A ILE 156.A N TRP 168.A O no hydrogen 3.346 N/A VAL 157.A N ARG 149.A O no hydrogen 3.159 N/A THR 158.A N ALA 166.A O no hydrogen 2.969 N/A THR 158.A OG1 HIS 141.A NE2 no hydrogen 2.921 N/A SER 159.A N CYS 147.A O no hydrogen 2.743 N/A SER 159.A OG SER 146.A OG no hydrogen 2.910 N/A SER 159.A OG CYS 147.A O no hydrogen 2.578 N/A SER 160.A OG THR 164.A O no hydrogen 3.398 N/A GLY 161.A N TYR 144.A O no hydrogen 2.598 N/A THR 163.A OG1 ASP 162.A O no hydrogen 2.549 N/A THR 163.A OG1 HIS 182.A O no hydrogen 3.373 N/A THR 164.A N ASP 162.A OD1 no hydrogen 3.234 N/A THR 164.A OG1 ASP 162.A OD1 no hydrogen 2.392 N/A CYS 165.A SG SER 200.A OG no hydrogen 3.217 N/A ALA 166.A N THR 158.A O no hydrogen 3.082 N/A TRP 168.A N ILE 156.A O no hydrogen 2.650 N/A TRP 168.A NE1 HIS 141.A NE2 no hydrogen 3.057 N/A TRP 168.A NE1 THR 158.A OG1 no hydrogen 3.041 N/A ILE 170.A N ASN 154.A O no hydrogen 2.893 N/A THR 172.A OG1 ASP 169.A O no hydrogen 3.364 N/A THR 172.A OG1 GLN 174.A OE1 no hydrogen 3.411 N/A GLY 173.A N ASP 169.A O no hydrogen 2.663 N/A THR 176.A N LEU 167.A O no hydrogen 2.667 N/A THR 178.A OG1 GLN 175.A OE1 no hydrogen 3.545 N/A PHE 179.A N CYS 165.A O no hydrogen 2.616 N/A HIS 182.A NE2 SER 200.A O no hydrogen 3.013 N/A THR 183.A N ASP 204.A OD2 no hydrogen 3.232 N/A THR 183.A OG1 ASP 204.A OD2 no hydrogen 3.369 N/A VAL 186.A N SER 160.A O no hydrogen 3.333 N/A MET 187.A N GLY 201.A O no hydrogen 3.328 N/A SER 188.A OG ASN 229.A O no hydrogen 3.568 N/A SER 190.A N VAL 199.A O no hydrogen 3.405 N/A ALA 192.A N LEU 197.A O no hydrogen 3.387 N/A THR 195.A N ALA 192.A O no hydrogen 2.964 N/A THR 195.A OG1 ASP 194.A O no hydrogen 2.609 N/A SER 200.A N LYS 208.A O no hydrogen 2.970 N/A GLY 201.A N SER 188.A O no hydrogen 3.170 N/A CYS 203.A SG ASP 185.A O no hydrogen 3.126 N/A SER 206.A OG ASP 204.A OD1 no hydrogen 2.561 N/A ALA 207.A N PHE 221.A O no hydrogen 3.063 N/A LYS 208.A N SER 200.A O no hydrogen 3.278 N/A LYS 208.A NZ THR 220.A OG1 no hydrogen 2.572 N/A LEU 209.A N GLN 219.A O no hydrogen 2.641 N/A TRP 210.A N PHE 198.A O no hydrogen 2.802 N/A ASP 211.A N MET 216.A O no hydrogen 3.092 N/A GLU 214.A N ASP 211.A OD2 no hydrogen 2.697 N/A GLY 215.A N ASP 211.A O no hydrogen 2.651 N/A CYS 217.A SG LEU 209.A O no hydrogen 3.690 N/A CYS 217.A SG GLN 219.A O no hydrogen 3.797 N/A CYS 217.A SG THR 220.A OG1 no hydrogen 3.363 N/A ARG 218.A N LEU 209.A O no hydrogen 2.905 N/A GLN 219.A N LEU 209.A O no hydrogen 3.468 N/A GLN 219.A NE2 LEU 254.A O no hydrogen 2.794 N/A PHE 221.A N ALA 207.A O no hydrogen 3.444 N/A HIS 224.A NE2 THR 242.A O no hydrogen 2.971 N/A GLU 225.A N ASP 246.A OD2 no hydrogen 2.911 N/A SER 226.A OG ASP 227.A OD1 no hydrogen 3.273 N/A ILE 228.A N ALA 202.A O no hydrogen 2.900 N/A ASN 229.A N GLY 243.A O no hydrogen 2.916 N/A ASN 229.A ND2 ILE 272.A O no hydrogen 2.984 N/A ALA 230.A N GLY 243.A O no hydrogen 3.201 N/A CYS 232.A N ALA 241.A O no hydrogen 3.183 N/A CYS 232.A SG PHE 233.A O no hydrogen 3.179 N/A PHE 234.A N ALA 239.A O no hydrogen 2.655 N/A GLY 237.A N PHE 234.A O no hydrogen 2.976 N/A ASN 238.A N ASN 236.A OD1 no hydrogen 2.801 N/A PHE 240.A N PHE 252.A O no hydrogen 3.470 N/A ALA 241.A N CYS 232.A O no hydrogen 2.937 N/A THR 242.A N ARG 250.A O no hydrogen 2.921 N/A GLY 243.A N ALA 230.A O no hydrogen 2.758 N/A SER 244.A N THR 248.A O no hydrogen 3.416 N/A SER 244.A OG SER 226.A O no hydrogen 2.862 N/A SER 244.A OG ASP 227.A O no hydrogen 2.318 N/A SER 244.A OG ASP 246.A OD2 no hydrogen 3.337 N/A ASP 245.A N ASP 227.A O no hydrogen 3.083 N/A ASP 245.A N SER 244.A OG no hydrogen 2.720 N/A THR 248.A OG1 HIS 224.A ND1 no hydrogen 3.235 N/A THR 248.A OG1 ASP 246.A OD1 no hydrogen 2.593 N/A CYS 249.A SG TYR 288.A OH no hydrogen 3.738 N/A ARG 250.A N THR 242.A O no hydrogen 3.094 N/A ARG 250.A NH1 GLU 259.A OE2 no hydrogen 3.454 N/A ARG 250.A NH2 THR 248.A OG1 no hydrogen 3.064 N/A LEU 251.A N MET 261.A O no hydrogen 3.174 N/A PHE 252.A N PHE 240.A O no hydrogen 2.864 N/A LEU 254.A N ASN 238.A O no hydrogen 3.332 N/A ARG 255.A N ASP 253.A OD2 no hydrogen 2.906 N/A ASP 257.A N ASP 253.A O no hydrogen 3.194 N/A GLN 258.A NE2 GLU 259.A O no hydrogen 3.606 N/A LEU 260.A N LEU 251.A O no hydrogen 2.834 N/A THR 262.A OG1 GLU 259.A OE1 no hydrogen 3.468 N/A TYR 263.A N CYS 249.A O no hydrogen 2.622 N/A TYR 263.A OH ALA 298.A O no hydrogen 2.668 N/A HIS 265.A NE2 ASN 267.A OD1 no hydrogen 2.491 N/A ILE 272.A N SER 244.A O no hydrogen 2.932 N/A THR 273.A N GLY 287.A O no hydrogen 2.569 N/A THR 273.A OG1 VAL 314.A O no hydrogen 3.434 N/A SER 274.A N GLY 287.A O no hydrogen 3.359 N/A SER 276.A N LEU 285.A O no hydrogen 2.801 N/A SER 276.A OG LEU 317.A O no hydrogen 3.079 N/A SER 278.A N LEU 283.A O no hydrogen 3.012 N/A SER 278.A OG LEU 283.A O no hydrogen 3.099 N/A GLY 281.A N SER 278.A OG no hydrogen 3.278 N/A ARG 282.A N SER 280.A OG no hydrogen 3.216 N/A ARG 282.A NE ASP 297.A OD1 no hydrogen 3.418 N/A ARG 282.A NH2 ASP 297.A OD1 no hydrogen 3.544 N/A LEU 283.A N SER 278.A OG no hydrogen 3.194 N/A LEU 284.A N TRP 296.A O no hydrogen 2.877 N/A LEU 285.A N SER 276.A O no hydrogen 2.972 N/A ALA 286.A N ASN 294.A O no hydrogen 3.230 N/A GLY 287.A N SER 274.A O no hydrogen 2.538 N/A ASP 289.A N GLY 271.A O no hydrogen 2.991 N/A ASN 292.A N ASP 290.A OD1 no hydrogen 3.286 N/A ASN 292.A ND2 ASN 294.A OD1 no hydrogen 3.282 N/A CYS 293.A N LEU 307.A O no hydrogen 3.253 N/A CYS 293.A SG LEU 307.A O no hydrogen 3.992 N/A VAL 295.A N GLY 305.A O no hydrogen 2.827 N/A TRP 296.A N LEU 284.A O no hydrogen 2.676 N/A ASP 297.A N ASP 302.A O no hydrogen 3.253 N/A ALA 298.A N ARG 282.A O no hydrogen 3.038 N/A LEU 299.A N ASP 297.A OD1 no hydrogen 2.789 N/A LYS 300.A N ASP 297.A OD1 no hydrogen 2.604 N/A LYS 300.A NZ THR 33.A O no hydrogen 3.233 N/A LYS 300.A NZ ASN 34.A O no hydrogen 3.163 N/A LYS 300.A NZ ILE 36.A O no hydrogen 2.929 N/A ALA 301.A N ASP 297.A O no hydrogen 2.969 N/A ALA 304.A N VAL 295.A O no hydrogen 3.062 N/A LEU 307.A N CYS 293.A O no hydrogen 2.799 N/A HIS 310.A ND1 ASP 332.A OD2 no hydrogen 3.248 N/A HIS 310.A NE2 THR 328.A O no hydrogen 2.669 N/A ASN 312.A N ASP 332.A OD1 no hydrogen 2.880 N/A ASN 312.A ND2 TRP 331.A O no hydrogen 3.608 N/A SER 315.A N GLY 329.A O no hydrogen 3.209 N/A SER 315.A OG ILE 57.A O no hydrogen 2.602 N/A CYS 316.A N GLY 329.A O no hydrogen 3.497 N/A GLY 318.A N ALA 327.A O no hydrogen 3.127 N/A THR 320.A N ALA 325.A O no hydrogen 3.103 N/A THR 320.A OG1 ASP 322.A OD1 no hydrogen 3.062 N/A THR 320.A OG1 ALA 325.A O no hydrogen 3.076 N/A GLY 323.A N THR 320.A O no hydrogen 2.994 N/A MET 324.A N ASP 322.A OD1 no hydrogen 3.248 N/A ALA 325.A N THR 320.A OG1 no hydrogen 3.011 N/A VAL 326.A N TRP 338.A O no hydrogen 2.988 N/A ALA 327.A N GLY 318.A O no hydrogen 2.939 N/A THR 328.A N LYS 336.A O no hydrogen 2.845 N/A GLY 329.A N CYS 316.A O no hydrogen 3.255 N/A SER 330.A OG HIS 310.A ND1 no hydrogen 2.802 N/A SER 330.A OG ASP 332.A OD1 no hydrogen 2.789 N/A SER 330.A OG ASP 332.A OD2 no hydrogen 2.829 N/A TRP 331.A N ARG 313.A O no hydrogen 2.552 N/A SER 333.A OG ALA 55.A O no hydrogen 2.265 N/A LYS 336.A N THR 328.A O no hydrogen 3.222 N/A LYS 336.A NZ GLY 309.A O no hydrogen 3.273 N/A ILE 337.A N ARG 48.A O no hydrogen 3.311 N/A TRP 338.A N VAL 326.A O no hydrogen 2.574 N/A ASN 339.A ND2 TRP 338.A O no hydrogen 3.328 N/A