Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8jne_K.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A NE2 GLY 1.A O no hydrogen 2.478 N/A ILE 5.A N HIS 27.A O no hydrogen 2.895 N/A ARG 7.A N PRO 4.A O no hydrogen 3.101 N/A LEU 8.A N ILE 5.A O no hydrogen 2.921 N/A GLU 9.A N SER 6.A O no hydrogen 2.931 N/A GLN 10.A N ARG 7.A O no hydrogen 3.241 N/A GLN 10.A N GLN 10.A OE1 no hydrogen 2.441 N/A CYS 11.A N LEU 8.A O no hydrogen 3.115 N/A CYS 11.A SG ARG 7.A O no hydrogen 3.902 N/A CYS 11.A SG GLU 57.A O no hydrogen 3.996 N/A GLY 12.A N GLU 9.A O no hydrogen 3.260 N/A VAL 18.A N ASN 14.A O no hydrogen 3.412 N/A LYS 19.A N ALA 15.A O no hydrogen 2.939 N/A LYS 19.A NZ GLU 22.A OE1 no hydrogen 3.292 N/A LYS 20.A N ASN 16.A O no hydrogen 2.877 N/A LYS 20.A NZ GLY 45.A O no hydrogen 2.358 N/A LEU 21.A N ASP 17.A O no hydrogen 2.923 N/A GLU 22.A N VAL 18.A O no hydrogen 2.942 N/A GLU 23.A N LYS 19.A O no hydrogen 2.859 N/A ALA 24.A N LYS 20.A O no hydrogen 2.913 N/A GLY 25.A N LEU 21.A O no hydrogen 2.815 N/A PHE 26.A N LEU 21.A O no hydrogen 2.508 N/A VAL 29.A N GLN 3.A O no hydrogen 2.221 N/A ALA 31.A N THR 28.A O no hydrogen 2.879 N/A ALA 31.A N THR 28.A OG1 no hydrogen 2.830 N/A VAL 32.A N THR 28.A O no hydrogen 3.260 N/A ALA 33.A N VAL 29.A O no hydrogen 2.842 N/A TYR 34.A N GLU 30.A O no hydrogen 3.351 N/A LYS 37.A NZ ASP 52.A OD1 no hydrogen 2.298 N/A ILE 41.A N LYS 37.A O no hydrogen 3.245 N/A ASN 42.A N LYS 38.A O no hydrogen 3.088 N/A ILE 43.A N LEU 40.A O no hydrogen 3.272 N/A ALA 51.A N SER 47.A O no hydrogen 3.109 N/A ASP 52.A N GLU 48.A O no hydrogen 2.916 N/A LYS 53.A N ALA 49.A O no hydrogen 2.938 N/A ILE 54.A N LYS 50.A O no hydrogen 2.874 N/A LEU 55.A N ALA 51.A O no hydrogen 2.927 N/A ALA 56.A N ASP 52.A O no hydrogen 2.915 N/A GLU 57.A N LYS 53.A O no hydrogen 2.943 N/A ALA 58.A N ILE 54.A O no hydrogen 2.806 N/A ALA 59.A N LEU 55.A O no hydrogen 2.870 N/A LYS 60.A N ALA 56.A O no hydrogen 2.957 N/A LEU 61.A N GLU 57.A O no hydrogen 2.924 N/A VAL 62.A N ALA 58.A O no hydrogen 2.349 N/A GLN 63.A NE2 GLN 76.A O no hydrogen 3.056 N/A ILE 64.A N ILE 79.A O no hydrogen 2.641 N/A THR 65.A N GLY 113.A O no hydrogen 2.116 N/A THR 65.A OG1 ASP 72.A OD1 no hydrogen 3.498 N/A THR 65.A OG1 ASP 72.A OD2 no hydrogen 2.408 N/A THR 66.A N ASP 72.A OD1 no hydrogen 2.644 N/A THR 66.A OG1 ASP 72.A OD1 no hydrogen 2.833 N/A GLY 67.A N THR 65.A OG1 no hydrogen 3.012 N/A SER 68.A N THR 66.A OG1 no hydrogen 3.084 N/A SER 68.A OG ASP 280.A OD1 no hydrogen 2.899 N/A LYS 69.A N ASP 280.A OD2 no hydrogen 3.264 N/A GLU 70.A N ASP 280.A OD1 no hydrogen 2.918 N/A ASP 72.A N SER 68.A O no hydrogen 2.834 N/A LYS 73.A N LYS 69.A O no hydrogen 2.877 N/A LEU 74.A N GLU 70.A O no hydrogen 2.915 N/A LEU 75.A N LEU 71.A O no hydrogen 2.848 N/A GLN 76.A N LYS 73.A O no hydrogen 3.058 N/A GLN 76.A NE2 LYS 73.A O no hydrogen 3.358 N/A GLY 77.A N ASP 72.A O no hydrogen 2.347 N/A ILE 79.A N ILE 64.A O no hydrogen 2.878 N/A GLY 82.A N VAL 223.A O no hydrogen 3.369 N/A SER 83.A OG GLU 80.A O no hydrogen 3.003 N/A THR 85.A N VAL 225.A O no hydrogen 3.111 N/A GLU 86.A N THR 242.A O no hydrogen 3.004 N/A THR 93.A OG1 GLU 90.A O no hydrogen 2.831 N/A LYS 95.A NZ GLY 89.A O no hydrogen 3.336 N/A THR 96.A OG1 GLU 125.A OE1 no hydrogen 3.393 N/A THR 96.A OG1 ASP 184.A OD1 no hydrogen 3.249 N/A THR 96.A OG1 ASP 184.A OD2 no hydrogen 3.140 N/A ILE 98.A N GLY 94.A O no hydrogen 2.543 N/A CYS 99.A N LYS 95.A O no hydrogen 2.876 N/A CYS 99.A SG LYS 95.A O no hydrogen 3.070 N/A HIS 100.A N THR 96.A O no hydrogen 2.901 N/A HIS 100.A ND1 THR 96.A O no hydrogen 2.731 N/A THR 101.A N GLN 97.A O no hydrogen 2.925 N/A THR 101.A OG1 GLN 97.A O no hydrogen 3.165 N/A LEU 102.A N ILE 98.A O no hydrogen 2.810 N/A ALA 103.A N CYS 99.A O no hydrogen 2.863 N/A VAL 104.A N THR 101.A O no hydrogen 2.949 N/A THR 105.A N THR 101.A O no hydrogen 2.829 N/A THR 105.A OG1 THR 65.A O no hydrogen 2.923 N/A THR 105.A OG1 THR 101.A O no hydrogen 3.471 N/A CYS 106.A N LEU 102.A O no hydrogen 2.826 N/A CYS 106.A SG LEU 102.A O no hydrogen 3.183 N/A CYS 106.A SG ALA 103.A O no hydrogen 3.166 N/A CYS 106.A SG GLY 117.A O no hydrogen 3.460 N/A GLN 107.A N VAL 104.A O no hydrogen 2.860 N/A GLN 107.A NE2 ALA 103.A O no hydrogen 2.813 N/A LEU 108.A N THR 105.A O no hydrogen 2.863 N/A ILE 110.A N GLU 116.A OE2 no hydrogen 2.865 N/A ARG 112.A N PRO 109.A O no hydrogen 2.886 N/A ARG 112.A NH2 TYR 140.A O no hydrogen 2.596 N/A GLY 113.A N ILE 110.A O no hydrogen 2.791 N/A GLY 114.A N PRO 109.A O no hydrogen 2.728 N/A GLY 115.A N CYS 106.A O no hydrogen 3.029 N/A GLU 116.A N LEU 108.A O no hydrogen 3.144 N/A GLY 117.A N CYS 106.A O no hydrogen 3.407 N/A LYS 118.A N ARG 177.A O no hydrogen 2.710 N/A LYS 118.A NZ SER 176.A OG no hydrogen 2.889 N/A ALA 119.A N ASN 150.A O no hydrogen 2.445 N/A MET 120.A N LEU 180.A O no hydrogen 2.634 N/A TYR 121.A OH ASP 184.A OD2 no hydrogen 2.558 N/A ILE 122.A N ILE 182.A O no hydrogen 2.606 N/A ASP 123.A N ALA 154.A O no hydrogen 3.381 N/A THR 124.A N ASP 184.A O no hydrogen 3.332 N/A THR 124.A OG1 ASP 184.A O no hydrogen 2.454 N/A THR 124.A OG1 SER 185.A O no hydrogen 2.839 N/A GLU 125.A N ASP 123.A OD1 no hydrogen 3.497 N/A GLU 125.A N ASP 123.A OD2 no hydrogen 3.251 N/A GLY 126.A N ASP 123.A OD2 no hydrogen 2.570 N/A THR 127.A OG1 ASP 123.A OD1 no hydrogen 3.505 N/A THR 127.A OG1 GLU 125.A OE1 no hydrogen 2.800 N/A THR 127.A OG1 ASP 184.A OD2 no hydrogen 2.556 N/A ARG 129.A N HIS 100.A NE2 no hydrogen 2.890 N/A ARG 129.A NH2 GLY 126.A O no hydrogen 2.613 N/A ARG 129.A NH2 PHE 128.A O no hydrogen 2.856 N/A ARG 132.A NE GLN 97.A OE1 no hydrogen 2.905 N/A ARG 132.A NH1 ASN 274.A O no hydrogen 2.834 N/A ARG 132.A NH2 ASN 274.A O no hydrogen 3.431 N/A LEU 133.A N ARG 129.A O no hydrogen 3.275 N/A LEU 134.A N PRO 130.A O no hydrogen 2.880 N/A ALA 135.A N GLU 131.A O no hydrogen 2.871 N/A VAL 136.A N ARG 132.A O no hydrogen 2.917 N/A ALA 137.A N LEU 133.A O no hydrogen 2.885 N/A GLU 138.A N LEU 134.A O no hydrogen 2.917 N/A ARG 139.A N ALA 135.A O no hydrogen 2.902 N/A ARG 139.A NH2 VAL 278.A O no hydrogen 2.639 N/A TYR 140.A N VAL 136.A O no hydrogen 3.044 N/A TYR 140.A OH VAL 278.A O no hydrogen 3.022 N/A GLY 141.A N GLU 138.A O no hydrogen 3.309 N/A LEU 142.A N ALA 137.A O no hydrogen 2.356 N/A SER 145.A OG SER 143.A OG no hydrogen 2.919 N/A ASP 146.A N SER 143.A OG no hydrogen 3.210 N/A VAL 147.A N SER 143.A O no hydrogen 2.758 N/A LEU 148.A N GLY 144.A O no hydrogen 3.050 N/A ASP 149.A N SER 145.A O no hydrogen 2.679 N/A ASN 150.A N VAL 147.A O no hydrogen 2.872 N/A ASN 150.A ND2 GLN 107.A OE1 no hydrogen 2.484 N/A VAL 151.A N LEU 148.A O no hydrogen 3.419 N/A ARG 155.A NH1 THR 124.A O no hydrogen 3.546 N/A ALA 156.A N ASP 123.A O no hydrogen 2.483 N/A PHE 157.A N HIS 161.A ND1 no hydrogen 2.975 N/A THR 159.A N ASP 193.A OD2 no hydrogen 2.429 N/A THR 159.A OG1 TYR 194.A OH no hydrogen 3.382 N/A HIS 161.A N ASN 158.A OD1 no hydrogen 2.437 N/A GLN 162.A N ASN 158.A O no hydrogen 2.669 N/A GLN 162.A NE2 ALA 186.A O no hydrogen 3.112 N/A THR 163.A N THR 159.A O no hydrogen 2.870 N/A THR 163.A OG1 THR 159.A O no hydrogen 3.198 N/A THR 163.A OG1 HIS 206.A NE2 no hydrogen 2.631 N/A GLN 164.A N ASP 160.A O no hydrogen 2.771 N/A GLN 164.A NE2 GLN 168.A OE1 no hydrogen 2.977 N/A LEU 165.A N HIS 161.A O no hydrogen 2.892 N/A LEU 166.A N THR 163.A O no hydrogen 3.043 N/A TYR 167.A N GLN 164.A O no hydrogen 3.028 N/A GLN 168.A N GLN 164.A O no hydrogen 3.242 N/A ALA 169.A N LEU 165.A O no hydrogen 2.546 N/A SER 170.A N LEU 166.A O no hydrogen 2.462 N/A SER 170.A OG LEU 166.A O no hydrogen 3.178 N/A SER 170.A OG TYR 167.A O no hydrogen 2.441 N/A ALA 171.A N TYR 167.A O no hydrogen 2.986 N/A MET 172.A N GLN 168.A O no hydrogen 2.799 N/A MET 173.A N ALA 169.A O no hydrogen 2.531 N/A GLU 175.A N MET 172.A O no hydrogen 3.109 N/A ARG 177.A NE GLU 116.A O no hydrogen 3.063 N/A ARG 177.A NH1 GLY 115.A O no hydrogen 3.037 N/A ALA 179.A N LYS 118.A O no hydrogen 2.619 N/A LEU 180.A N LYS 118.A O no hydrogen 3.250 N/A LEU 181.A N ALA 224.A O no hydrogen 2.800 N/A ILE 182.A N MET 120.A O no hydrogen 2.293 N/A VAL 183.A N VAL 226.A O no hydrogen 3.006 N/A ASP 184.A N ILE 122.A O no hydrogen 3.076 N/A SER 185.A N THR 228.A OG1 no hydrogen 2.374 N/A SER 185.A OG GLU 125.A OE2 no hydrogen 2.460 N/A ALA 186.A N THR 228.A O no hydrogen 3.018 N/A THR 187.A OG1 ASN 229.A OD1 no hydrogen 2.249 N/A ALA 188.A N SER 185.A O no hydrogen 2.900 N/A ARG 191.A N ALA 188.A O no hydrogen 3.096 N/A ARG 191.A NH2 GLN 230.A O no hydrogen 2.354 N/A THR 192.A N ALA 188.A O no hydrogen 2.862 N/A THR 192.A OG1 ALA 188.A O no hydrogen 3.057 N/A THR 192.A OG1 LEU 189.A O no hydrogen 3.486 N/A THR 192.A OG1 ASP 193.A OD1 no hydrogen 3.383 N/A ASP 193.A N LEU 189.A O no hydrogen 2.766 N/A TYR 194.A OH THR 159.A OG1 no hydrogen 3.382 N/A SER 195.A OG ARG 191.A O no hydrogen 2.752 N/A SER 195.A OG THR 192.A O no hydrogen 2.599 N/A LEU 200.A N ARG 197.A O no hydrogen 3.421 N/A ARG 203.A N GLU 199.A O no hydrogen 3.152 N/A GLN 204.A N LEU 200.A O no hydrogen 2.903 N/A MET 205.A N SER 201.A O no hydrogen 2.892 N/A HIS 206.A N ALA 202.A O no hydrogen 2.938 N/A HIS 206.A NE2 THR 159.A O no hydrogen 2.525 N/A LEU 207.A N ARG 203.A O no hydrogen 2.808 N/A ALA 208.A N GLN 204.A O no hydrogen 2.819 N/A ARG 209.A N MET 205.A O no hydrogen 2.977 N/A PHE 210.A N HIS 206.A O no hydrogen 2.909 N/A LEU 211.A N LEU 207.A O no hydrogen 2.798 N/A ARG 212.A N ALA 208.A O no hydrogen 2.902 N/A MET 213.A N ARG 209.A O no hydrogen 2.932 N/A LEU 214.A N PHE 210.A O no hydrogen 2.911 N/A LEU 215.A N LEU 211.A O no hydrogen 2.923 N/A ARG 216.A N ARG 212.A O no hydrogen 2.869 N/A LEU 217.A N MET 213.A O no hydrogen 2.855 N/A ALA 218.A N LEU 214.A O no hydrogen 2.927 N/A ASP 219.A N LEU 215.A O no hydrogen 2.930 N/A GLU 220.A N ARG 216.A O no hydrogen 2.857 N/A PHE 221.A N LEU 217.A O no hydrogen 2.884 N/A ALA 224.A N ALA 179.A O no hydrogen 2.639 N/A VAL 226.A N LEU 181.A O no hydrogen 3.078 N/A THR 228.A N VAL 183.A O no hydrogen 3.206 N/A THR 228.A OG1 ASP 184.A OD1 no hydrogen 2.858 N/A ILE 236.A N GLY 233.A O no hydrogen 3.187 N/A ALA 237.A N ASN 234.A O no hydrogen 3.171 N/A SER 240.A N ILE 236.A O no hydrogen 2.314 N/A SER 240.A OG GLU 86.A OE1 no hydrogen 3.449 N/A SER 240.A OG ILE 236.A O no hydrogen 2.728 N/A SER 240.A OG ALA 237.A O no hydrogen 3.405 N/A THR 241.A N ILE 84.A O no hydrogen 2.684 N/A THR 241.A OG1 ILE 84.A O no hydrogen 2.969 N/A ARG 243.A N ASP 260.A O no hydrogen 2.697 N/A ARG 243.A NH1 GLY 233.A O no hydrogen 2.589 N/A ARG 243.A NH1 ASN 234.A OD1 no hydrogen 3.364 N/A LEU 244.A N GLU 86.A O no hydrogen 3.050 N/A TYR 245.A N LYS 257.A O no hydrogen 2.273 N/A LEU 246.A N PHE 88.A O no hydrogen 3.394 N/A ARG 247.A N ILE 255.A O no hydrogen 2.757 N/A ARG 247.A NH1 GLU 268.A OE1 no hydrogen 3.119 N/A ARG 247.A NH1 GLU 268.A OE2 no hydrogen 2.703 N/A ARG 247.A NH2 GLU 268.A OE2 no hydrogen 3.159 N/A ARG 254.A N PHE 271.A O no hydrogen 2.477 N/A ARG 254.A NE ARG 92.A O no hydrogen 3.044 N/A ARG 254.A NH1 ARG 92.A O no hydrogen 2.903 N/A ARG 254.A NH2 GLU 252.A OE1 no hydrogen 3.408 N/A ILE 255.A N ARG 247.A O no hydrogen 2.674 N/A CYS 256.A N ALA 269.A O no hydrogen 2.896 N/A LYS 257.A N TYR 245.A O no hydrogen 2.424 N/A ILE 258.A N ALA 267.A O no hydrogen 2.544 N/A TYR 259.A N ARG 243.A O no hydrogen 3.320 N/A SER 261.A OG THR 241.A O no hydrogen 3.460 N/A LEU 264.A N SER 261.A OG no hydrogen 2.945 N/A GLU 266.A N GLU 266.A OE1 no hydrogen 2.736 N/A ALA 269.A N CYS 256.A O no hydrogen 2.838 N/A PHE 271.A N ARG 254.A O no hydrogen 2.880 N/A ALA 272.A N GLY 279.A O no hydrogen 2.433 N/A ILE 273.A N GLU 252.A O no hydrogen 2.529 N/A ASN 274.A N GLY 277.A O no hydrogen 2.426 N/A GLY 277.A N ASN 274.A O no hydrogen 2.703 N/A VAL 278.A N THR 101.A OG1 no hydrogen 2.706 N/A GLY 279.A N ALA 272.A O no hydrogen 2.687 N/A