Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3whu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NE GLU 64.A OE2 no hydrogen 3.066 N/A ARG 3.A NH2 GLU 64.A OE2 no hydrogen 2.825 N/A ARG 4.A N GLN 225.A O no hydrogen 2.612 N/A ARG 4.A NH1 GLU 6.A OE2 no hydrogen 2.698 N/A GLU 6.A N THR 223.A O no hydrogen 2.832 N/A TYR 9.A N GLU 6.A O no hydrogen 3.063 N/A TYR 9.A OH LYS 57.A O no hydrogen 2.545 N/A SER 10.A N TYR 7.A O no hydrogen 3.264 N/A SER 10.A OG GLU 6.A O no hydrogen 3.281 N/A SER 10.A OG PHE 221.A O no hydrogen 3.288 N/A PHE 11.A N PHE 221.A O no hydrogen 2.939 N/A LEU 16.A N SER 36.A O no hydrogen 2.928 N/A GLN 18.A N THR 22.A O no hydrogen 2.745 N/A GLN 18.A NE2 THR 22.A OG1 no hydrogen 2.937 N/A GLY 21.A N GLN 18.A O no hydrogen 2.855 N/A THR 22.A N ASP 20.A OD1 no hydrogen 3.014 N/A THR 22.A OG1 ASP 20.A OD1 no hydrogen 2.396 N/A THR 22.A OG1 ASP 20.A OD2 no hydrogen 3.127 N/A TRP 26.A N VAL 23.A O no hydrogen 2.916 N/A ALA 27.A N TRP 53.A O no hydrogen 2.677 N/A ALA 29.A N SER 51.A O no hydrogen 3.038 N/A ASN 31.A N ARG 49.A O no hydrogen 2.471 N/A ILE 33.A N ARG 40.A O no hydrogen 2.956 N/A SER 35.A N GLN 38.A O no hydrogen 2.930 N/A SER 35.A OG ASP 37.A OD1 no hydrogen 3.477 N/A SER 35.A OG GLN 38.A O no hydrogen 3.212 N/A ILE 39.A N VAL 218.A O no hydrogen 2.893 N/A ARG 40.A N ILE 33.A O no hydrogen 2.835 N/A ARG 40.A NE ASP 217.A OD1 no hydrogen 2.774 N/A ARG 40.A NE ASP 217.A OD2 no hydrogen 3.473 N/A ARG 40.A NH1 ASP 217.A OD2 no hydrogen 3.140 N/A VAL 41.A N HIS 216.A O no hydrogen 2.631 N/A SER 44.A N ASP 215.A OD1 no hydrogen 2.772 N/A SER 44.A OG ASP 215.A OD2 no hydrogen 3.516 N/A LEU 45.A N PRO 43.A O no hydrogen 2.573 N/A SER 47.A N GLY 210.A O no hydrogen 3.117 N/A GLN 48.A N THR 209.A OG1 no hydrogen 2.773 N/A GLN 48.A NE2 LYS 46.A O no hydrogen 3.535 N/A ARG 49.A N ASN 31.A OD1 no hydrogen 3.232 N/A GLY 50.A N ALA 207.A O no hydrogen 3.148 N/A SER 51.A N ALA 29.A O no hydrogen 3.219 N/A SER 51.A OG LEU 92.A O no hydrogen 2.875 N/A VAL 52.A N ILE 205.A O no hydrogen 2.524 N/A TRP 53.A N ALA 27.A O no hydrogen 2.903 N/A TRP 53.A NE1 SER 99.A OG no hydrogen 3.188 N/A THR 54.A N PHE 203.A O no hydrogen 2.929 N/A THR 54.A OG1 THR 56.A O no hydrogen 3.166 N/A THR 54.A OG1 PHE 203.A O no hydrogen 3.403 N/A LYS 55.A N PHE 25.A O no hydrogen 3.271 N/A ALA 58.A N GLY 201.A O no hydrogen 2.773 N/A TRP 63.A N TYR 166.A O no hydrogen 2.992 N/A GLU 64.A N PHE 224.A O no hydrogen 3.071 N/A VAL 65.A N ILE 164.A O no hydrogen 3.017 N/A GLU 66.A N LEU 222.A O no hydrogen 2.824 N/A VAL 67.A N ALA 162.A O no hydrogen 2.980 N/A THR 68.A N SER 220.A O no hydrogen 3.097 N/A THR 68.A OG1 SER 220.A OG no hydrogen 3.241 N/A PHE 69.A N VAL 160.A O no hydrogen 2.819 N/A ARG 70.A N ASP 217.A O no hydrogen 2.809 N/A THR 72.A N ASP 215.A O no hydrogen 2.995 N/A GLY 73.A N ASN 155.A OD1 no hydrogen 2.993 N/A ASP 80.A N ALA 208.A O no hydrogen 2.715 N/A GLY 81.A N ALA 208.A O no hydrogen 3.319 N/A LEU 82.A N PHE 110.A O no hydrogen 2.767 N/A ALA 83.A N SER 206.A O no hydrogen 2.928 N/A ILE 84.A N ILE 108.A O no hydrogen 2.970 N/A TRP 85.A N GLY 204.A O no hydrogen 2.792 N/A TRP 85.A NE1 SER 206.A OG no hydrogen 2.866 N/A TYR 86.A N VAL 106.A O no hydrogen 3.210 N/A TYR 86.A OH ALA 58.A O no hydrogen 3.381 N/A TYR 86.A OH PRO 198.A O no hydrogen 3.224 N/A ALA 87.A N HIS 202.A O no hydrogen 3.078 N/A GLU 88.A N ASN 104.A O no hydrogen 2.778 N/A GLN 90.A NE2 THR 54.A O no hydrogen 2.758 N/A VAL 96.A N SER 99.A O no hydrogen 2.671 N/A SER 99.A N VAL 96.A O no hydrogen 2.383 N/A SER 99.A OG GLY 91.A O no hydrogen 2.771 N/A ALA 100.A N GLY 91.A O no hydrogen 3.155 N/A LEU 102.A N ASP 101.A OD1 no hydrogen 2.769 N/A ASN 104.A ND2 GLU 88.A OE1 no hydrogen 2.568 N/A GLY 105.A N ASN 129.A O no hydrogen 2.843 N/A VAL 106.A N TYR 86.A O no hydrogen 2.926 N/A GLY 107.A N ILE 127.A O no hydrogen 3.155 N/A ILE 108.A N ILE 84.A O no hydrogen 2.851 N/A PHE 109.A N VAL 125.A O no hydrogen 2.662 N/A PHE 110.A N LEU 82.A O no hydrogen 2.573 N/A ASP 111.A N ALA 123.A O no hydrogen 2.801 N/A SER 112.A N ASP 80.A O no hydrogen 3.248 N/A PHE 113.A N ASP 111.A OD1 no hydrogen 3.014 N/A ASN 115.A N ASP 140.A OD2 no hydrogen 3.043 N/A LYS 119.A N ASP 114.A OD2 no hydrogen 2.779 N/A ASN 120.A N ASP 114.A OD1 no hydrogen 3.513 N/A ALA 123.A N ASP 111.A O no hydrogen 3.003 N/A ILE 124.A N CYS 149.A O no hydrogen 3.076 N/A VAL 125.A N PHE 109.A O no hydrogen 2.866 N/A ILE 126.A N ALA 147.A O no hydrogen 2.965 N/A ASN 129.A N GLY 105.A O no hydrogen 3.054 N/A ASN 129.A ND2 ILE 133.A O no hydrogen 3.481 N/A GLY 131.A N ASN 129.A OD1 no hydrogen 2.728 N/A TYR 135.A N ASP 101.A OD2 no hydrogen 2.980 N/A HIS 137.A N TYR 135.A O no hydrogen 2.806 N/A ASN 139.A N ASP 136.A O no hydrogen 2.753 N/A ASN 139.A N ASP 136.A OD1 no hydrogen 3.321 N/A ASN 139.A ND2 ASP 136.A OD1 no hydrogen 3.160 N/A ASP 140.A N HIS 137.A O no hydrogen 2.907 N/A GLY 141.A N ASP 136.A O no hydrogen 3.174 N/A ALA 142.A N ASN 139.A O no hydrogen 2.854 N/A SER 143.A OG GLN 144.A OE1 no hydrogen 3.429 N/A GLN 144.A NE2 HIS 134.A O no hydrogen 2.993 N/A ALA 145.A N ALA 142.A O no hydrogen 3.401 N/A CYS 149.A N ILE 124.A O no hydrogen 2.931 N/A ARG 151.A NE GLN 150.A O no hydrogen 3.390 N/A ARG 151.A NH1 PHE 188.A O no hydrogen 3.233 N/A ARG 154.A NE ASP 214.A OD2 no hydrogen 2.857 N/A ARG 154.A NH1 GLY 75.A O no hydrogen 2.735 N/A ARG 154.A NH2 GLY 75.A O no hydrogen 3.011 N/A ARG 154.A NH2 ASP 214.A OD1 no hydrogen 3.001 N/A ARG 154.A NH2 ASP 214.A OD2 no hydrogen 3.386 N/A ASN 155.A N VAL 71.A O no hydrogen 3.002 N/A ASN 155.A ND2 GLY 73.A O no hydrogen 3.115 N/A ASN 155.A ND2 GLY 75.A O no hydrogen 3.673 N/A LYS 156.A NZ ASP 152.A O no hydrogen 2.511 N/A LYS 156.A NZ ARG 154.A O no hydrogen 3.331 N/A TYR 158.A N GLY 178.A O no hydrogen 2.971 N/A VAL 160.A N PHE 69.A O no hydrogen 2.994 N/A ARG 161.A N ASN 176.A O no hydrogen 3.177 N/A ARG 161.A NE THR 68.A OG1 no hydrogen 3.281 N/A ARG 161.A NH2 LYS 183.A O no hydrogen 2.846 N/A ALA 162.A N VAL 67.A O no hydrogen 2.716 N/A LYS 163.A N MET 174.A O no hydrogen 2.921 N/A ILE 164.A N VAL 65.A O no hydrogen 2.874 N/A THR 165.A N THR 172.A O no hydrogen 2.689 N/A THR 165.A OG1 GLU 64.A OE1 no hydrogen 2.836 N/A TYR 166.A N TRP 63.A O no hydrogen 2.655 N/A TYR 166.A OH MET 195.A O no hydrogen 2.661 N/A TYR 167.A N THR 170.A O no hydrogen 3.208 N/A GLN 168.A N ASN 62.A OD1 no hydrogen 3.229 N/A THR 170.A OG1 TYR 167.A O no hydrogen 2.378 N/A THR 172.A N THR 165.A O no hydrogen 2.481 N/A THR 172.A OG1 THR 170.A O no hydrogen 3.250 N/A VAL 173.A N ALA 190.A O no hydrogen 3.039 N/A MET 174.A N LYS 163.A O no hydrogen 2.887 N/A ILE 175.A N GLU 187.A O no hydrogen 2.932 N/A ASN 176.A N ARG 161.A O no hydrogen 2.820 N/A ASN 176.A ND2 ASP 182.A O no hydrogen 2.865 N/A ASN 177.A ND2 ASP 152.A O no hydrogen 3.475 N/A THR 180.A OG1 ASP 185.A OD2 no hydrogen 3.211 N/A ASP 182.A N THR 180.A OG1 no hydrogen 3.388 N/A ASN 184.A N ASP 182.A OD1 no hydrogen 2.917 N/A ASP 185.A N ASP 182.A O no hydrogen 2.739 N/A TYR 186.A N ASN 184.A O no hydrogen 2.790 N/A TYR 186.A OH GLU 66.A OE1 no hydrogen 3.180 N/A GLU 187.A N ILE 175.A O no hydrogen 2.924 N/A CYS 189.A N VAL 173.A O no hydrogen 3.178 N/A ALA 190.A N VAL 173.A O no hydrogen 3.216 N/A VAL 192.A N LEU 171.A O no hydrogen 2.863 N/A MET 195.A N ASN 169.A O no hydrogen 2.618 N/A HIS 202.A N ALA 87.A O no hydrogen 2.774 N/A PHE 203.A N THR 54.A OG1 no hydrogen 3.169 N/A GLY 204.A N TRP 85.A O no hydrogen 2.957 N/A ILE 205.A N VAL 52.A O no hydrogen 2.574 N/A SER 206.A N ALA 83.A O no hydrogen 3.111 N/A SER 206.A OG PHE 97.A O no hydrogen 2.606 N/A SER 206.A OG SER 99.A OG no hydrogen 3.329 N/A ALA 207.A N GLY 50.A O no hydrogen 3.052 N/A ALA 208.A N GLY 81.A O no hydrogen 3.293 N/A THR 209.A N GLN 48.A O no hydrogen 3.016 N/A THR 209.A OG1 LEU 45.A O no hydrogen 2.496 N/A GLY 210.A N LEU 212.A O no hydrogen 2.971 N/A ASP 214.A N ALA 79.A O no hydrogen 2.827 N/A ASP 215.A N THR 72.A O no hydrogen 2.990 N/A HIS 216.A N ALA 42.A O no hydrogen 2.920 N/A HIS 216.A ND1 ALA 42.A O no hydrogen 3.152 N/A ASP 217.A N ARG 70.A O no hydrogen 2.843 N/A VAL 218.A N ILE 39.A O no hydrogen 2.849 N/A LEU 219.A N THR 68.A O no hydrogen 2.802 N/A SER 220.A OG THR 68.A OG1 no hydrogen 3.241 N/A PHE 221.A N PHE 11.A O no hydrogen 2.999 N/A LEU 222.A N GLU 66.A O no hydrogen 2.994 N/A THR 223.A N SER 10.A OG no hydrogen 2.767 N/A THR 223.A OG1 TYR 9.A O no hydrogen 2.898 N/A PHE 224.A N GLU 64.A O no hydrogen 2.627 N/A GLN 225.A N ARG 4.A O no hydrogen 2.881 N/A LEU 226.A N ASN 62.A O no hydrogen 3.285 N/A