Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jf4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 5.A ND1 GLN 238.A OE1 no hydrogen 2.894 N/A ASN 6.A N VAL 2.A O no hydrogen 2.319 N/A GLN 7.A N GLN 3.A O no hydrogen 2.812 N/A VAL 8.A N GLY 4.A O no hydrogen 3.185 N/A ILE 9.A N HIS 5.A O no hydrogen 2.980 N/A HIS 10.A N ASN 6.A O no hydrogen 2.606 N/A HIS 10.A ND1 ASP 14.A OD2 no hydrogen 2.603 N/A GLN 11.A N GLN 7.A O no hydrogen 3.173 N/A TYR 12.A N VAL 8.A O no hydrogen 3.037 N/A PHE 13.A N ILE 9.A O no hydrogen 3.135 N/A ASP 14.A N HIS 10.A O no hydrogen 2.917 N/A GLU 15.A N GLN 11.A O no hydrogen 2.757 N/A LYS 16.A N PHE 13.A O no hydrogen 3.303 N/A LYS 16.A NZ GLU 230.A OE2.A no hydrogen 2.785 N/A ASN 17.A N ASP 14.A O no hydrogen 2.985 N/A THR 18.A N PHE 13.A O no hydrogen 3.458 N/A THR 18.A OG1 GLU 218.A O no hydrogen 2.556 N/A GLY 20.A N ASN 35.A OD1 no hydrogen 3.053 N/A VAL 21.A N ASN 216.A O no hydrogen 2.856 N/A LEU 22.A N TYR 33.A O no hydrogen 2.622 N/A VAL 23.A N ALA 214.A O no hydrogen 2.943 N/A ILE 24.A N ASN 31.A O no hydrogen 3.007 N/A GLN 25.A N ALA 212.A O no hydrogen 2.891 N/A GLN 25.A NE2 ASP 27.A O no hydrogen 2.798 N/A THR 26.A N LYS 29.A O no hydrogen 3.012 N/A LYS 29.A N THR 26.A O no hydrogen 3.002 N/A ASN 31.A N ILE 24.A O no hydrogen 2.921 N/A TYR 33.A N LEU 22.A O no hydrogen 2.861 N/A GLY 34.A N ASN 6.A OD1 no hydrogen 2.962 N/A ASN 35.A N GLY 20.A O no hydrogen 3.148 N/A ASN 35.A ND2 ASP 14.A OD1 no hydrogen 2.783 N/A ASN 35.A ND2 THR 18.A O no hydrogen 2.917 N/A ALA 36.A N GLY 20.A O no hydrogen 3.004 N/A ARG 39.A N ALA 36.A O no hydrogen 2.995 N/A ARG 39.A NE ASN 216.A OD1 no hydrogen 2.957 N/A ARG 39.A NH2 ASN 216.A OD1 no hydrogen 2.919 N/A ALA 40.A N LEU 37.A O no hydrogen 2.972 N/A THR 42.A N ARG 39.A O no hydrogen 3.013 N/A THR 42.A OG1 SER 38.A O no hydrogen 2.796 N/A TYR 44.A N VAL 141.A O no hydrogen 3.016 N/A THR 49.A N PRO 46.A O no hydrogen 3.191 N/A THR 49.A OG1 PRO 46.A O no hydrogen 2.514 N/A THR 49.A OG1 GLU 146.A OE1 no hydrogen 2.786 N/A PHE 50.A N ALA 47.A O no hydrogen 2.987 N/A LYS 51.A N SER 48.A O no hydrogen 3.139 N/A LYS 51.A NZ SER 48.A OG no hydrogen 3.160 N/A LYS 51.A NZ SER 95.A O no hydrogen 3.393 N/A MET 52.A N THR 49.A O no hydrogen 3.308 N/A ASN 54.A N PHE 50.A O no hydrogen 2.813 N/A ASN 54.A ND2 TYR 100.A O no hydrogen 3.316 N/A ALA 55.A N LYS 51.A O no hydrogen 2.934 N/A LEU 56.A N MET 52.A O no hydrogen 3.190 N/A ILE 57.A N LEU 53.A O no hydrogen 2.931 N/A GLY 58.A N ASN 54.A O no hydrogen 2.870 N/A LEU 59.A N ALA 55.A O no hydrogen 2.863 N/A GLU 60.A N LEU 56.A O no hydrogen 2.858 N/A ASN 61.A N ILE 57.A O no hydrogen 2.960 N/A ASN 61.A ND2 ILE 57.A O no hydrogen 2.830 N/A ASN 61.A ND2 GLU 115.A OE2 no hydrogen 2.899 N/A GLN 62.A N LEU 59.A O no hydrogen 2.928 N/A LYS 63.A N GLY 58.A O no hydrogen 2.888 N/A THR 64.A OG1 ASP 65.A O no hydrogen 3.342 N/A THR 64.A OG1 GLU 68.A OE1 no hydrogen 2.711 N/A ASP 65.A N THR 64.A OG1 no hydrogen 2.639 N/A ASN 67.A N ASP 65.A OD1 no hydrogen 2.696 N/A GLU 68.A N ASP 65.A O no hydrogen 3.288 N/A GLU 68.A N ASP 65.A OD1 no hydrogen 2.975 N/A PHE 70.A N MET 86.A O no hydrogen 2.698 N/A TRP 72.A N ASP 85.A OD1 no hydrogen 2.865 N/A TRP 72.A NE1 GLU 75.A O no hydrogen 2.482 N/A GLU 75.A N GLU 75.A OE1 no hydrogen 2.859 N/A ARG 77.A N GLU 83.A OE2 no hydrogen 2.835 N/A ARG 77.A NE GLU 75.A OE2 no hydrogen 2.848 N/A ARG 77.A NH1 TRP 82.A O no hydrogen 2.580 N/A ARG 77.A NH2 GLU 75.A OE2 no hydrogen 3.487 N/A TRP 82.A N PHE 79.A O no hydrogen 3.116 N/A TRP 82.A NE1 LEU 94.A O no hydrogen 2.780 N/A GLU 83.A N THR 80.A O no hydrogen 2.997 N/A LYS 84.A NZ GLU 90.A OE2 no hydrogen 2.750 N/A MET 86.A N PHE 70.A O no hydrogen 2.989 N/A GLU 90.A N THR 87.A OG1 no hydrogen 3.174 N/A ALA 91.A N THR 87.A O no hydrogen 2.970 N/A MET 92.A N LEU 88.A O no hydrogen 3.005 N/A LYS 93.A N GLY 89.A O no hydrogen 3.348 N/A LEU 94.A N GLU 90.A O no hydrogen 3.163 N/A SER 95.A N MET 92.A O no hydrogen 3.087 N/A ALA 96.A N ALA 91.A O no hydrogen 2.840 N/A VAL 99.A N ALA 96.A O no hydrogen 3.267 N/A TYR 100.A OH LEU 88.A O no hydrogen 2.837 N/A GLN 101.A N VAL 97.A O no hydrogen 2.853 N/A GLU 102.A N PRO 98.A O no hydrogen 3.093 N/A LEU 103.A N VAL 99.A O no hydrogen 3.004 N/A ALA 104.A N TYR 100.A O no hydrogen 2.827 N/A ARG 105.A N GLN 101.A O no hydrogen 2.915 N/A ARG 106.A N GLU 102.A O no hydrogen 3.058 N/A ARG 106.A NE GLU 102.A OE2.A no hydrogen 3.527 N/A ARG 106.A NH1 LYS 63.A O no hydrogen 2.874 N/A ARG 106.A NH1 GLU 68.A OE1 no hydrogen 2.997 N/A ARG 106.A NH1 GLU 68.A OE2 no hydrogen 3.143 N/A ARG 106.A NH2 GLU 68.A OE2 no hydrogen 3.016 N/A ARG 106.A NH2 GLU 102.A OE2.B no hydrogen 2.623 N/A ILE 107.A N LEU 103.A O no hydrogen 3.026 N/A GLY 108.A N ALA 104.A O no hydrogen 2.987 N/A MET 112.A N GLY 108.A O no hydrogen 2.995 N/A GLN 113.A N LEU 109.A O no hydrogen 2.843 N/A GLN 113.A NE2 GLN 113.A O no hydrogen 2.922 N/A GLN 113.A NE2 ALA 124.A O no hydrogen 2.972 N/A LYS 114.A N ASP 110.A O no hydrogen 3.027 N/A LYS 114.A NZ LYS 114.A O no hydrogen 2.789 N/A GLU 115.A N LEU 111.A O no hydrogen 2.931 N/A VAL 116.A N MET 112.A O no hydrogen 2.912 N/A LYS 117.A N GLN 113.A O no hydrogen 3.121 N/A ARG 118.A N LYS 114.A O no hydrogen 2.836 N/A ARG 118.A NE GLU 115.A OE1 no hydrogen 3.261 N/A ARG 118.A NH1 PRO 159.A O no hydrogen 2.819 N/A ARG 118.A NH2 GLU 115.A OE1 no hydrogen 2.769 N/A ARG 118.A NH2 PRO 159.A O no hydrogen 3.116 N/A ILE 119.A N GLU 115.A O no hydrogen 2.955 N/A GLY 120.A N VAL 116.A O no hydrogen 2.877 N/A PHE 121.A N VAL 116.A O no hydrogen 3.309 N/A ASN 123.A N LYS 140.A O no hydrogen 2.718 N/A ASN 123.A ND2 PRO 138.A O no hydrogen 2.948 N/A ALA 124.A N PHE 121.A O no hydrogen 2.938 N/A GLU 125.A N ASN 123.A OD1 no hydrogen 3.223 N/A ILE 126.A N GLN 113.A OE1 no hydrogen 3.416 N/A ASP 131.A N GLN 129.A OE1 no hydrogen 3.153 N/A LEU 135.A N ASN 132.A O no hydrogen 3.039 N/A VAL 136.A N ASN 132.A O no hydrogen 3.107 N/A LEU 139.A N PHE 133.A O no hydrogen 3.155 N/A LYS 140.A N ASN 123.A OD1 no hydrogen 2.982 N/A VAL 141.A N TYR 44.A O no hydrogen 2.866 N/A THR 142.A N GLN 145.A OE1 no hydrogen 2.886 N/A THR 142.A OG1 ASN 41.A OD1 no hydrogen 3.405 N/A THR 142.A OG1 GLN 145.A OE1 no hydrogen 3.404 N/A ILE 144.A N ALA 40.A O no hydrogen 3.094 N/A GLN 145.A N THR 142.A OG1 no hydrogen 2.816 N/A GLN 145.A NE2 GLY 122.A O no hydrogen 3.677 N/A GLU 146.A N THR 142.A O no hydrogen 2.956 N/A VAL 147.A N PRO 143.A O no hydrogen 2.940 N/A GLU 148.A N ILE 144.A O no hydrogen 3.159 N/A PHE 149.A N GLN 145.A O no hydrogen 3.001 N/A VAL 150.A N GLU 146.A O no hydrogen 3.079 N/A SER 151.A N VAL 147.A O no hydrogen 2.864 N/A GLN 152.A N GLU 148.A O no hydrogen 3.059 N/A LEU 153.A N PHE 149.A O no hydrogen 3.035 N/A ALA 154.A N VAL 150.A O no hydrogen 2.849 N/A HIS 155.A N SER 151.A O no hydrogen 3.006 N/A THR 156.A N LEU 153.A O no hydrogen 3.038 N/A GLN 157.A N GLN 152.A O no hydrogen 2.634 N/A LEU 158.A N GLN 165.A OE1 no hydrogen 3.010 N/A PHE 160.A N LEU 158.A O no hydrogen 2.832 N/A SER 161.A N GLU 60.A OE1 no hydrogen 2.877 N/A VAL 164.A N SER 161.A OG no hydrogen 2.996 N/A GLN 165.A N SER 161.A O no hydrogen 2.994 N/A GLN 165.A NE2 PHE 160.A O no hydrogen 2.862 N/A GLN 165.A NE2 SER 161.A O no hydrogen 3.580 N/A ALA 166.A N GLU 162.A O no hydrogen 2.872 N/A ASN 167.A N LYS 163.A O no hydrogen 2.914 N/A VAL 168.A N VAL 164.A O no hydrogen 2.991 N/A LYS 169.A N GLN 165.A O no hydrogen 2.962 N/A LYS 169.A NZ ALA 154.A O no hydrogen 3.196 N/A LYS 169.A NZ THR 156.A OG1 no hydrogen 3.167 N/A ASN 170.A N ALA 166.A O no hydrogen 3.045 N/A MET 171.A N VAL 168.A O no hydrogen 3.115 N/A LEU 172.A N LYS 169.A O no hydrogen 3.052 N/A LEU 174.A N ILE 182.A O no hydrogen 2.739 N/A GLU 175.A N ILE 182.A O no hydrogen 3.074 N/A SER 177.A N TYR 180.A O no hydrogen 2.976 N/A TYR 180.A N SER 177.A O no hydrogen 2.867 N/A LYS 181.A N GLU 204.A O no hydrogen 2.899 N/A ILE 182.A N GLU 175.A O no hydrogen 2.597 N/A PHE 183.A N TRP 202.A O no hydrogen 2.977 N/A GLY 184.A N LEU 172.A O no hydrogen 2.749 N/A LYS 185.A N THR 200.A O no hydrogen 2.838 N/A LYS 185.A NZ MET 92.A O no hydrogen 3.472 N/A LYS 185.A NZ SER 95.A OG no hydrogen 2.515 N/A LYS 185.A NZ THR 186.A O no hydrogen 2.928 N/A GLY 187.A N TRP 198.A O no hydrogen 3.081 N/A TRP 188.A NE1 GLN 195.A OE1 no hydrogen 3.077 N/A ALA 189.A N VAL 196.A O no hydrogen 2.825 N/A GLN 195.A NE2 SER 221.A OG no hydrogen 3.250 N/A VAL 196.A N ALA 189.A O no hydrogen 3.344 N/A GLY 197.A N MET 217.A O no hydrogen 2.665 N/A TRP 198.A N GLY 187.A O no hydrogen 2.649 N/A TRP 198.A NE1 VAL 45.A O no hydrogen 2.900 N/A LEU 199.A N LEU 215.A O no hydrogen 3.013 N/A THR 200.A N LYS 185.A O no hydrogen 3.052 N/A THR 200.A OG1 GLU 146.A OE2 no hydrogen 2.827 N/A GLY 201.A N PHE 213.A O no hydrogen 2.955 N/A TRP 202.A N PHE 183.A O no hydrogen 3.030 N/A VAL 203.A N VAL 211.A O no hydrogen 2.799 N/A GLU 204.A N LYS 181.A O no hydrogen 2.847 N/A GLN 205.A N LYS 209.A O no hydrogen 2.750 N/A GLN 205.A NE2 ILE 241.A O no hydrogen 2.905 N/A GLY 208.A N GLN 205.A O no hydrogen 2.952 N/A LYS 209.A N ASP 207.A OD1 no hydrogen 2.963 N/A VAL 211.A N VAL 203.A O no hydrogen 2.984 N/A ALA 212.A N GLN 25.A O no hydrogen 3.119 N/A PHE 213.A N GLY 201.A O no hydrogen 2.729 N/A ALA 214.A N VAL 23.A O no hydrogen 2.896 N/A LEU 215.A N LEU 199.A O no hydrogen 2.808 N/A ASN 216.A N VAL 21.A O no hydrogen 3.027 N/A MET 217.A N GLY 197.A O no hydrogen 2.956 N/A GLU 218.A N SER 19.A O no hydrogen 2.993 N/A MET 219.A N GLN 195.A O no hydrogen 3.289 N/A ARG 220.A NE GLU 222.A OE2 no hydrogen 2.933 N/A ARG 220.A NH1 ASN 17.A O no hydrogen 2.650 N/A ARG 220.A NH2 ASN 17.A O no hydrogen 2.906 N/A GLU 222.A N GLU 222.A OE1 no hydrogen 2.971 N/A MET 223.A N ARG 220.A O no hydrogen 2.911 N/A ILE 227.A N PRO 224.A O no hydrogen 3.110 N/A ARG 228.A N ALA 225.A O no hydrogen 3.377 N/A ARG 228.A NE ALA 225.A O no hydrogen 2.883 N/A ARG 228.A NH1 ALA 225.A O no hydrogen 3.450 N/A ARG 228.A NH2 GLY 187.A O no hydrogen 2.864 N/A GLU 230.A N SER 226.A O no hydrogen 2.932 N/A LEU 231.A N ILE 227.A O no hydrogen 3.027 N/A LEU 232.A N ARG 228.A O no hydrogen 3.008 N/A MET 233.A N ASN 229.A O no hydrogen 2.889 N/A LYS 234.A N GLU 230.A O no hydrogen 3.085 N/A SER 235.A N LEU 231.A O no hydrogen 3.163 N/A SER 235.A OG LEU 231.A O no hydrogen 2.804 N/A LEU 236.A N LEU 232.A O no hydrogen 2.864 N/A LYS 237.A N MET 233.A O no hydrogen 2.885 N/A GLN 238.A N LYS 234.A O no hydrogen 2.996 N/A LEU 239.A N SER 235.A O no hydrogen 2.862 N/A ASN 240.A N LYS 237.A O no hydrogen 2.813 N/A ILE 241.A N LEU 236.A O no hydrogen 2.888 N/A ILE 242.A N LEU 236.A O no hydrogen 3.433 N/A