Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nhu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A N ASP 95.A OD2 no hydrogen 2.826 N/A VAL 5.A N THR 35.A O no hydrogen 2.697 N/A LEU 6.A N LEU 96.A O no hydrogen 3.012 N/A ILE 7.A N THR 37.A O no hydrogen 2.855 N/A VAL 8.A N ILE 98.A O no hydrogen 2.795 N/A TYR 9.A N SER 39.A O no hydrogen 2.875 N/A ALA 10.A N GLN 100.A O no hydrogen 3.003 N/A GLN 12.A N GLN 12.A OE1 no hydrogen 2.756 N/A GLN 12.A NE2 TYR 104.A OH no hydrogen 3.036 N/A GLU 13.A N HIS 11.A ND1 no hydrogen 2.988 N/A LYS 15.A N GLU 13.A OE2 no hydrogen 2.951 N/A SER 16.A N GLU 13.A O no hydrogen 3.028 N/A SER 16.A OG GLU 13.A O no hydrogen 2.573 N/A ASN 18.A ND2 THR 147.A OG1 no hydrogen 2.696 N/A GLY 19.A N SER 16.A OG no hydrogen 2.894 N/A SER 20.A N SER 16.A O no hydrogen 2.824 N/A SER 20.A OG SER 16.A O no hydrogen 3.362 N/A LEU 21.A N PHE 17.A O no hydrogen 2.986 N/A LYS 22.A N ASN 18.A O no hydrogen 2.917 N/A LYS 22.A NZ ASN 23.A OD1 no hydrogen 2.698 N/A ASN 23.A N GLY 19.A O no hydrogen 2.919 N/A VAL 24.A N SER 20.A O no hydrogen 2.904 N/A ALA 25.A N LEU 21.A O no hydrogen 3.039 N/A VAL 26.A N LYS 22.A O no hydrogen 2.932 N/A ASP 27.A N ASN 23.A O no hydrogen 2.959 N/A GLU 28.A N VAL 24.A O no hydrogen 2.953 N/A LEU 29.A N ALA 25.A O no hydrogen 2.962 N/A SER 30.A N VAL 26.A O no hydrogen 2.866 N/A ARG 31.A N ASP 27.A O no hydrogen 2.847 N/A ARG 31.A NE GLU 28.A OE1 no hydrogen 3.066 N/A ARG 31.A NH2 GLU 28.A OE2 no hydrogen 2.791 N/A GLN 32.A N GLU 28.A O no hydrogen 3.073 N/A GLN 32.A NE2 GLU 28.A OE2 no hydrogen 3.050 N/A GLN 32.A NE2 LEU 211.A O no hydrogen 2.806 N/A GLY 33.A N SER 30.A O no hydrogen 3.051 N/A CYS 34.A N LEU 29.A O no hydrogen 3.038 N/A CYS 34.A SG GLN 32.A OE1 no hydrogen 3.652 N/A THR 35.A N LYS 3.A O no hydrogen 2.863 N/A THR 37.A N VAL 5.A O no hydrogen 2.930 N/A SER 39.A N ILE 7.A O no hydrogen 2.746 N/A SER 39.A OG GLU 87.A OE1 no hydrogen 2.801 N/A SER 39.A OG GLU 87.A OE2 no hydrogen 3.540 N/A LEU 41.A N TYR 9.A O no hydrogen 3.093 N/A ALA 43.A N ASP 40.A OD1 no hydrogen 3.370 N/A MET 44.A N ASP 40.A O no hydrogen 2.888 N/A ASN 45.A N TYR 42.A O no hydrogen 2.866 N/A PHE 46.A N LEU 41.A O no hydrogen 3.046 N/A ARG 49.A N GLU 47.A OE2 no hydrogen 2.918 N/A ARG 49.A NH1 GLU 47.A OE2 no hydrogen 2.998 N/A LYS 53.A N THR 51.A OG1 no hydrogen 3.155 N/A ASP 54.A N THR 51.A O no hydrogen 3.027 N/A ILE 55.A N ASP 52.A O no hydrogen 3.293 N/A THR 56.A N SER 79.A O no hydrogen 2.897 N/A THR 56.A OG1 SER 79.A O no hydrogen 3.044 N/A THR 56.A OG1 SER 79.A OG no hydrogen 3.104 N/A SER 60.A N GLU 70.A OE1 no hydrogen 2.835 N/A ASN 61.A N GLU 70.A OE2 no hydrogen 2.987 N/A GLU 63.A N ASN 61.A OD1 no hydrogen 3.067 N/A VAL 64.A N ASN 61.A OD1 no hydrogen 3.472 N/A TYR 67.A OH ASP 54.A OD2 no hydrogen 2.587 N/A VAL 69.A N ASN 66.A OD1 no hydrogen 3.025 N/A GLU 70.A N ASN 66.A O no hydrogen 3.020 N/A THR 71.A N TYR 67.A O no hydrogen 2.933 N/A THR 71.A OG1 TYR 67.A O no hydrogen 3.002 N/A THR 71.A OG1 GLY 68.A O no hydrogen 3.342 N/A HIS 72.A N GLY 68.A O no hydrogen 3.087 N/A GLU 73.A N VAL 69.A O no hydrogen 2.981 N/A ALA 74.A N GLU 70.A O no hydrogen 2.847 N/A TYR 75.A N THR 71.A O no hydrogen 2.849 N/A LYS 76.A N HIS 72.A O no hydrogen 3.224 N/A LYS 76.A NZ GLU 73.A OE2 no hydrogen 3.148 N/A GLN 77.A N GLU 73.A O no hydrogen 2.978 N/A ARG 78.A N TYR 75.A O no hydrogen 3.049 N/A SER 79.A N ALA 74.A O no hydrogen 2.752 N/A SER 79.A OG THR 56.A O no hydrogen 2.689 N/A SER 79.A OG THR 56.A OG1 no hydrogen 3.104 N/A ALA 81.A N ASP 54.A O no hydrogen 2.868 N/A THR 85.A N ALA 81.A O no hydrogen 3.159 N/A THR 85.A OG1 SER 82.A O no hydrogen 3.384 N/A ASP 86.A N SER 82.A O no hydrogen 2.846 N/A GLU 87.A N ASP 83.A O no hydrogen 3.234 N/A GLN 88.A N ILE 84.A O no hydrogen 2.893 N/A GLN 88.A NE2 VAL 119.A O no hydrogen 3.047 N/A LYS 89.A N THR 85.A O no hydrogen 2.940 N/A LYS 90.A N ASP 86.A O no hydrogen 3.411 N/A LYS 90.A NZ SER 39.A OG no hydrogen 3.003 N/A LYS 90.A NZ GLU 87.A OE2 no hydrogen 2.599 N/A VAL 91.A N GLU 87.A O no hydrogen 2.980 N/A ARG 92.A N GLN 88.A O no hydrogen 2.738 N/A ARG 92.A NH2 TYR 75.A OH no hydrogen 3.058 N/A GLU 93.A N LYS 89.A O no hydrogen 3.108 N/A ALA 94.A N LYS 90.A O no hydrogen 3.115 N/A ALA 94.A N VAL 91.A O no hydrogen 3.210 N/A ASP 95.A N LYS 4.A O no hydrogen 2.864 N/A LEU 96.A N LYS 4.A O no hydrogen 3.276 N/A VAL 97.A N LEU 141.A O no hydrogen 2.820 N/A ILE 98.A N LEU 6.A O no hydrogen 2.917 N/A PHE 99.A N LEU 143.A O no hydrogen 3.001 N/A GLN 100.A N VAL 8.A O no hydrogen 2.882 N/A GLN 100.A NE2 ASN 18.A OD1 no hydrogen 2.821 N/A PHE 101.A N SER 145.A O no hydrogen 3.130 N/A LEU 103.A N THR 147.A O no hydrogen 2.677 N/A TYR 104.A N SER 107.A O no hydrogen 2.868 N/A SER 107.A N TYR 104.A O no hydrogen 2.974 N/A LYS 113.A N PRO 109.A O no hydrogen 2.905 N/A LYS 113.A NZ ASP 117.A OD1 no hydrogen 2.630 N/A GLY 114.A N ALA 110.A O no hydrogen 2.852 N/A TRP 115.A N ILE 111.A O no hydrogen 3.224 N/A TRP 115.A NE1 GLU 87.A OE1 no hydrogen 2.875 N/A MET 116.A N LEU 112.A O no hydrogen 3.101 N/A ASP 117.A N LYS 113.A O no hydrogen 2.853 N/A ARG 118.A N GLY 114.A O no hydrogen 2.925 N/A ARG 118.A NE ASP 54.A OD1 no hydrogen 3.246 N/A ARG 118.A NE ASP 54.A OD2 no hydrogen 2.939 N/A ARG 118.A NH1 GLU 47.A O no hydrogen 2.859 N/A ARG 118.A NH1 ASP 83.A OD2 no hydrogen 3.215 N/A ARG 118.A NH2 ASP 54.A OD1 no hydrogen 2.786 N/A ARG 118.A NH2 ASP 83.A OD1 no hydrogen 3.240 N/A ARG 118.A NH2 ASP 83.A OD2 no hydrogen 3.117 N/A VAL 119.A N TRP 115.A O no hydrogen 2.790 N/A LEU 120.A N MET 116.A O no hydrogen 3.185 N/A CYS 121.A SG GLN 122.A O no hydrogen 3.542 N/A GLY 123.A N PHE 126.A O no hydrogen 2.819 N/A PHE 124.A N CYS 121.A O no hydrogen 3.016 N/A ALA 125.A N CYS 121.A O no hydrogen 2.922 N/A ASP 127.A N GLY 130.A O no hydrogen 3.027 N/A TYR 132.A N PHE 178.A O no hydrogen 2.918 N/A TYR 132.A OH HIS 173.A NE2 no hydrogen 3.213 N/A LEU 136.A N ALA 125.A O no hydrogen 3.049 N/A LEU 137.A N CYS 179.A O no hydrogen 2.834 N/A GLN 138.A N GLY 135.A O no hydrogen 3.192 N/A GLN 138.A NE2 GLY 135.A O no hydrogen 3.202 N/A LYS 140.A N LEU 137.A O no hydrogen 3.212 N/A LYS 140.A NZ VAL 91.A O no hydrogen 3.270 N/A LYS 140.A NZ ARG 92.A O no hydrogen 2.774 N/A LYS 140.A NZ ALA 94.A O no hydrogen 2.778 N/A LEU 141.A N ASP 95.A O no hydrogen 2.931 N/A ALA 142.A N LYS 182.A O no hydrogen 2.897 N/A LEU 143.A N VAL 97.A O no hydrogen 3.031 N/A SER 145.A N PHE 99.A O no hydrogen 2.803 N/A SER 145.A OG GLN 100.A OE1 no hydrogen 2.652 N/A VAL 146.A N GLN 187.A O no hydrogen 2.968 N/A THR 147.A N PHE 101.A O no hydrogen 3.092 N/A THR 148.A N SER 189.A O no hydrogen 3.386 N/A THR 148.A OG1 GLY 150.A O no hydrogen 2.643 N/A THR 151.A OG1 GLU 153.A OE1 no hydrogen 2.733 N/A MET 154.A N THR 151.A OG1 no hydrogen 3.397 N/A TYR 155.A N THR 151.A O no hydrogen 3.097 N/A THR 156.A OG1 GLU 153.A O no hydrogen 2.718 N/A GLY 159.A N THR 156.A O no hydrogen 2.777 N/A ASN 161.A N MET 154.A O no hydrogen 2.997 N/A GLY 162.A N GLY 159.A O no hydrogen 3.229 N/A SER 164.A N.B TYR 155.A O no hydrogen 3.421 N/A ARG 165.A NH1 TRP 226.A O no hydrogen 2.846 N/A TYR 166.A N ASP 163.A O no hydrogen 2.948 N/A PHE 167.A N SER 164.A O.A no hydrogen 3.171 N/A LEU 168.A N SER 164.A O.A no hydrogen 3.330 N/A LEU 168.A N SER 164.A O.B no hydrogen 3.382 N/A LEU 171.A N LEU 168.A O no hydrogen 3.023 N/A GLN 172.A N LEU 168.A O no hydrogen 2.769 N/A HIS 173.A N TRP 169.A O no hydrogen 2.729 N/A GLY 174.A N TRP 169.A O no hydrogen 2.981 N/A THR 175.A OG1 PRO 170.A O no hydrogen 2.897 N/A LEU 176.A N LEU 171.A O no hydrogen 2.951 N/A HIS 177.A N GLN 172.A O no hydrogen 2.731 N/A HIS 177.A NE2 ASP 133.A OD1 no hydrogen 3.023 N/A PHE 178.A N HIS 173.A O no hydrogen 3.253 N/A CYS 179.A N THR 175.A O no hydrogen 3.162 N/A CYS 179.A N LEU 176.A O no hydrogen 3.135 N/A CYS 179.A SG THR 175.A O no hydrogen 3.442 N/A GLY 180.A N HIS 177.A O no hydrogen 2.688 N/A PHE 181.A N LEU 176.A O no hydrogen 3.112 N/A LYS 182.A N LYS 140.A O no hydrogen 2.974 N/A LEU 184.A N ALA 142.A O no hydrogen 2.820 N/A GLN 187.A N LEU 144.A O no hydrogen 2.768 N/A SER 189.A N VAL 146.A O no hydrogen 2.791 N/A ALA 191.A N THR 148.A OG1 no hydrogen 3.123 N/A ILE 194.A N ALA 191.A O no hydrogen 3.394 N/A ALA 195.A N PRO 192.A O no hydrogen 2.959 N/A SER 196.A N GLU 199.A OE1 no hydrogen 2.407 N/A SER 196.A OG GLU 199.A OE1 no hydrogen 2.797 N/A GLU 198.A N SER 196.A O no hydrogen 2.522 N/A ARG 200.A N SER 196.A O no hydrogen 2.775 N/A GLY 202.A N GLU 198.A O no hydrogen 2.931 N/A MET 203.A N GLU 199.A O no hydrogen 2.854 N/A MET 203.A N ARG 200.A O no hydrogen 2.873 N/A VAL 204.A N ARG 200.A O no hydrogen 2.985 N/A ALA 205.A N LYS 201.A O no hydrogen 2.853 N/A ALA 206.A N GLY 202.A O no hydrogen 3.017 N/A TRP 207.A N MET 203.A O no hydrogen 3.181 N/A TRP 207.A NE1 LEU 21.A O no hydrogen 3.181 N/A SER 208.A N VAL 204.A O no hydrogen 2.953 N/A GLN 209.A N ALA 205.A O no hydrogen 2.719 N/A ARG 210.A N ALA 206.A O no hydrogen 2.858 N/A ARG 210.A NE GLU 217.A OE2 no hydrogen 2.919 N/A ARG 210.A NH1 ALA 185.A O no hydrogen 3.225 N/A ARG 210.A NH2 ALA 185.A O no hydrogen 2.802 N/A ARG 210.A NH2 GLU 217.A OE1 no hydrogen 3.082 N/A ARG 210.A NH2 GLU 217.A OE2 no hydrogen 3.458 N/A LEU 211.A N TRP 207.A O no hydrogen 2.931 N/A GLN 212.A N SER 208.A O no hydrogen 3.383 N/A GLN 212.A N GLN 209.A O no hydrogen 3.198 N/A THR 213.A N ARG 210.A O no hydrogen 3.222 N/A ILE 214.A N LEU 211.A O no hydrogen 3.440 N/A LYS 216.A N THR 213.A O no hydrogen 2.888 N/A GLU 217.A N ILE 214.A O no hydrogen 3.209 N/A ILE 220.A N VAL 183.A O no hydrogen 2.726 N/A CYS 222.A SG HIS 173.A ND1 no hydrogen 3.806 N/A CYS 222.A SG HIS 177.A ND1 no hydrogen 3.629 N/A TRP 226.A N THR 223.A OG1 no hydrogen 2.973 N/A HIS 227.A N THR 223.A O no hydrogen 3.170 N/A HIS 227.A ND1 THR 223.A O no hydrogen 2.899 N/A HIS 227.A NE2 GLN 172.A OE1 no hydrogen 3.119 N/A PHE 228.A N ALA 224.A O no hydrogen 2.642 N/A GLY 229.A N HIS 225.A O no hydrogen 2.747 N/A