Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8qka_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N ASP 33.A OD2 no hydrogen 3.458 N/A THR 2.A N VAL 214.A O no hydrogen 2.944 N/A THR 2.A OG1 TYR 105.A OH no hydrogen 2.812 N/A LEU 3.A N ALA 34.A O no hydrogen 3.005 N/A PHE 4.A N VAL 212.A O no hydrogen 2.930 N/A ILE 5.A N TYR 36.A O no hydrogen 2.900 N/A ASP 7.A N GLY 39.A O no hydrogen 3.022 N/A HIS 9.A N ASP 40.A O no hydrogen 2.923 N/A HIS 9.A ND1 GLU 43.A OE1 no hydrogen 2.786 N/A HIS 9.A NE2 HIS 183.A NE2 no hydrogen 3.114 N/A LEU 10.A N LEU 41.A O no hydrogen 2.998 N/A GLU 14.A N GLN 11.A O no hydrogen 3.092 N/A GLU 16.A N GLU 16.A OE1 no hydrogen 2.847 N/A ILE 17.A N GLU 14.A O no hydrogen 3.197 N/A THR 18.A N GLU 14.A O no hydrogen 3.432 N/A ALA 19.A N PRO 15.A O no hydrogen 2.830 N/A GLY 20.A N GLU 16.A O no hydrogen 3.088 N/A PHE 21.A N ILE 17.A O no hydrogen 2.875 N/A LEU 22.A N THR 18.A O no hydrogen 2.877 N/A ARG 23.A N ALA 19.A O no hydrogen 2.930 N/A PHE 24.A N GLY 20.A O no hydrogen 3.062 N/A LEU 25.A N PHE 21.A O no hydrogen 2.912 N/A GLN 26.A N LEU 22.A O no hydrogen 2.998 N/A GLN 26.A N ARG 23.A O no hydrogen 3.174 N/A GLY 27.A N ARG 23.A O no hydrogen 3.007 N/A ALA 29.A N PHE 24.A O no hydrogen 2.982 N/A ARG 30.A N GLY 27.A O no hydrogen 2.964 N/A ARG 30.A NE LEU 25.A O no hydrogen 3.015 N/A GLN 31.A N GLU 28.A O no hydrogen 3.195 N/A GLN 31.A NE2 GLY 27.A O no hydrogen 2.832 N/A ALA 32.A N ALA 29.A O no hydrogen 3.111 N/A ASP 33.A N ALA 1.A O no hydrogen 2.710 N/A LEU 35.A N PRO 71.A O no hydrogen 2.917 N/A TYR 36.A N LEU 3.A O no hydrogen 2.762 N/A ILE 37.A N TYR 73.A O no hydrogen 2.866 N/A LEU 38.A N ILE 5.A O no hydrogen 2.892 N/A ASP 40.A N ASP 80.A OD1 no hydrogen 3.066 N/A PHE 42.A N ASP 80.A OD2 no hydrogen 3.078 N/A GLU 43.A N LEU 10.A O no hydrogen 3.057 N/A TRP 45.A NE1 ASP 48.A OD1 no hydrogen 2.907 N/A ASP 49.A N ASP 49.A OD1 no hydrogen 2.659 N/A ASP 50.A N GLY 47.A O no hydrogen 3.199 N/A ASN 52.A N ASP 50.A OD1 no hydrogen 2.924 N/A LEU 54.A N ASN 52.A OD1 no hydrogen 3.015 N/A HIS 55.A N ASN 52.A O no hydrogen 3.012 N/A GLN 56.A N PRO 53.A O no hydrogen 3.070 N/A GLN 56.A NE2 PRO 51.A O no hydrogen 3.123 N/A GLN 56.A NE2 ASN 52.A O no hydrogen 3.169 N/A GLN 57.A N PRO 53.A O no hydrogen 3.059 N/A ILE 58.A N LEU 54.A O no hydrogen 3.001 N/A ALA 59.A N HIS 55.A O no hydrogen 3.041 N/A SER 60.A N GLN 56.A O no hydrogen 3.008 N/A SER 60.A OG GLN 56.A O no hydrogen 2.962 N/A ALA 61.A N GLN 57.A O no hydrogen 3.084 N/A ILE 62.A N ILE 58.A O no hydrogen 3.021 N/A LYS 63.A N ALA 59.A O no hydrogen 2.926 N/A LYS 63.A NZ ASP 67.A OD1 no hydrogen 3.380 N/A LYS 63.A NZ ASP 67.A OD2 no hydrogen 3.444 N/A ALA 64.A N SER 60.A O no hydrogen 3.069 N/A VAL 65.A N ALA 61.A O no hydrogen 3.414 N/A VAL 66.A N ILE 62.A O no hydrogen 2.924 N/A ASP 67.A N LYS 63.A O no hydrogen 2.740 N/A ALA 68.A N VAL 65.A O no hydrogen 3.101 N/A GLY 69.A N VAL 66.A O no hydrogen 3.130 N/A VAL 70.A N VAL 65.A O no hydrogen 3.300 N/A CYS 72.A SG VAL 70.A O no hydrogen 3.633 N/A TYR 73.A N LEU 35.A O no hydrogen 2.948 N/A PHE 74.A N ILE 94.A O no hydrogen 2.912 N/A ILE 75.A N ILE 37.A O no hydrogen 2.912 N/A HIS 76.A NE2 VAL 83.A O no hydrogen 2.847 N/A GLY 77.A N ASP 80.A OD1 no hydrogen 2.870 N/A ARG 79.A N ASP 40.A OD1 no hydrogen 3.054 N/A ARG 79.A NE GLU 43.A O no hydrogen 2.769 N/A ARG 79.A NH2 GLU 43.A O no hydrogen 3.036 N/A VAL 83.A N ASP 80.A O no hydrogen 3.162 N/A GLY 84.A N ASP 48.A OD1 no hydrogen 2.974 N/A PHE 87.A N ASP 48.A OD2 no hydrogen 2.990 N/A ALA 88.A N GLY 84.A O no hydrogen 3.008 N/A ARG 89.A N GLN 85.A O no hydrogen 2.912 N/A GLN 90.A N ARG 86.A O no hydrogen 2.922 N/A SER 91.A N PHE 87.A O no hydrogen 2.865 N/A SER 91.A N ALA 88.A O no hydrogen 3.193 N/A SER 91.A OG PHE 87.A O no hydrogen 2.909 N/A SER 91.A OG ALA 88.A O no hydrogen 3.225 N/A GLY 92.A N ALA 88.A O no hydrogen 2.738 N/A MET 93.A N SER 91.A OG no hydrogen 3.254 N/A ILE 94.A N CYS 72.A O no hydrogen 3.083 N/A LEU 96.A N PHE 74.A O no hydrogen 2.771 N/A ALA 97.A N GLU 100.A OE2 no hydrogen 2.815 N/A GLU 100.A N ILE 111.A O no hydrogen 3.048 N/A ARG 101.A NE HIS 172.A O no hydrogen 3.262 N/A LEU 102.A N VAL 109.A O no hydrogen 2.771 N/A LEU 104.A N ARG 107.A O no hydrogen 2.780 N/A TYR 105.A OH THR 2.A OG1 no hydrogen 2.812 N/A TYR 105.A OH ASP 33.A OD2 no hydrogen 2.306 N/A ARG 107.A N LEU 104.A O no hydrogen 2.853 N/A ARG 107.A NH1 THR 215.A O no hydrogen 3.273 N/A ARG 107.A NH2 PRO 216.A O no hydrogen 3.327 N/A VAL 109.A N LEU 102.A O no hydrogen 3.098 N/A LEU 110.A N TRP 176.A O no hydrogen 2.838 N/A ILE 111.A N GLU 100.A O no hydrogen 2.879 N/A MET 112.A N ILE 178.A O no hydrogen 3.329 N/A HIS 113.A ND1 LEU 38.A O no hydrogen 2.635 N/A HIS 113.A NE2 HIS 181.A ND1 no hydrogen 3.173 N/A LEU 117.A N GLY 114.A O no hydrogen 3.020 N/A CYS 118.A N ASP 115.A O no hydrogen 3.098 N/A CYS 118.A SG GLY 114.A O no hydrogen 3.728 N/A CYS 118.A SG MET 158.A O no hydrogen 3.269 N/A ASP 121.A N CYS 118.A O no hydrogen 3.182 N/A TYR 124.A N ASP 121.A OD1 no hydrogen 3.129 N/A TYR 124.A OH ASP 115.A OD2 no hydrogen 2.480 N/A LEU 125.A N ASP 121.A O no hydrogen 3.031 N/A ALA 126.A N GLN 122.A O no hydrogen 2.735 N/A PHE 127.A N GLY 123.A O no hydrogen 3.296 N/A ARG 128.A N TYR 124.A O no hydrogen 2.768 N/A ARG 128.A NE ASP 115.A OD2 no hydrogen 2.815 N/A ARG 128.A NH1 GLU 98.A OE1 no hydrogen 3.383 N/A ARG 128.A NH2 GLU 98.A OE1 no hydrogen 2.920 N/A ALA 129.A N LEU 125.A O no hydrogen 2.895 N/A LYS 130.A N ALA 126.A O no hydrogen 3.174 N/A VAL 131.A N PHE 127.A O no hydrogen 2.975 N/A HIS 132.A N ARG 128.A O no hydrogen 2.958 N/A HIS 132.A ND1 ARG 128.A O no hydrogen 2.828 N/A THR 133.A N LYS 130.A O no hydrogen 2.805 N/A THR 133.A OG1 ALA 129.A O no hydrogen 2.956 N/A THR 133.A OG1 LYS 130.A O no hydrogen 2.990 N/A GLN 137.A N THR 133.A O no hydrogen 3.081 N/A GLN 137.A NE2 VAL 131.A O no hydrogen 2.734 N/A ARG 138.A N PRO 134.A O no hydrogen 2.927 N/A LEU 139.A N TRP 135.A O no hydrogen 3.035 N/A PHE 140.A N ILE 136.A O no hydrogen 3.157 N/A LEU 141.A N GLN 137.A O no hydrogen 2.897 N/A ALA 142.A N ARG 138.A O no hydrogen 2.858 N/A ALA 142.A N LEU 139.A O no hydrogen 3.190 N/A LEU 143.A N LEU 139.A O no hydrogen 3.376 N/A LEU 143.A N PHE 140.A O no hydrogen 3.196 N/A ILE 147.A N PRO 144.A O no hydrogen 2.981 N/A ARG 148.A N PRO 144.A O no hydrogen 3.143 N/A ARG 148.A NE LEU 143.A O no hydrogen 2.981 N/A ARG 148.A NH1 ILE 46.A O no hydrogen 2.856 N/A ARG 148.A NH1 ASP 49.A OD1 no hydrogen 2.778 N/A ARG 148.A NH1 ASP 49.A OD2 no hydrogen 3.460 N/A ARG 148.A NH2 ASP 49.A OD2 no hydrogen 2.679 N/A ARG 148.A NH2 LEU 143.A O no hydrogen 3.095 N/A HIS 149.A N LEU 145.A O no hydrogen 2.887 N/A ARG 150.A N PHE 146.A O no hydrogen 3.235 N/A ILE 151.A N ILE 147.A O no hydrogen 2.927 N/A ALA 152.A N ARG 148.A O no hydrogen 3.051 N/A ALA 153.A N HIS 149.A O no hydrogen 2.960 N/A ARG 154.A N ARG 150.A O no hydrogen 3.279 N/A MET 155.A N ALA 152.A O no hydrogen 2.816 N/A ARG 156.A N ALA 153.A O no hydrogen 3.408 N/A VAL 160.A N ASP 159.A OD1 no hydrogen 2.742 N/A ASN 161.A N LEU 117.A O no hydrogen 2.883 N/A ASN 161.A ND2 ASP 120.A OD1 no hydrogen 3.218 N/A ASN 161.A ND2 ASP 120.A OD2 no hydrogen 3.032 N/A GLN 163.A NE2 ASP 167.A OD1 no hydrogen 2.809 N/A ALA 164.A N ASN 161.A OD1 no hydrogen 3.087 N/A VAL 165.A N ASN 161.A O no hydrogen 3.176 N/A VAL 166.A N PRO 162.A O no hydrogen 3.132 N/A ASP 167.A N GLN 163.A O no hydrogen 2.687 N/A ALA 168.A N ALA 164.A O no hydrogen 2.928 N/A MET 169.A N VAL 165.A O no hydrogen 3.082 N/A GLU 170.A N VAL 166.A O no hydrogen 2.886 N/A ARG 171.A N ASP 167.A O no hydrogen 2.821 N/A ARG 171.A NH2 GLU 99.A OE1 no hydrogen 3.416 N/A HIS 172.A N ALA 168.A O no hydrogen 3.270 N/A HIS 172.A NE2 GLU 99.A OE1 no hydrogen 2.451 N/A HIS 173.A N GLU 170.A O no hydrogen 3.228 N/A VAL 174.A N MET 169.A O no hydrogen 2.946 N/A GLN 175.A NE2 ALA 192.A O no hydrogen 2.864 N/A GLN 175.A NE2 PRO 196.A O no hydrogen 2.886 N/A LEU 177.A N TRP 198.A O no hydrogen 2.972 N/A ILE 178.A N LEU 110.A O no hydrogen 2.790 N/A HIS 179.A N VAL 200.A O no hydrogen 3.103 N/A HIS 179.A ND1 GLY 180.A O no hydrogen 2.784 N/A GLY 180.A N HIS 113.A O no hydrogen 2.840 N/A HIS 181.A N ASP 7.A OD2 no hydrogen 2.726 N/A HIS 183.A NE2 HIS 9.A NE2 no hydrogen 3.114 N/A ARG 184.A NH1 ILE 157.A O no hydrogen 2.864 N/A ARG 184.A NH1 THR 182.A O no hydrogen 2.952 N/A ARG 184.A NH2 ILE 157.A O no hydrogen 2.978 N/A ALA 186.A N VAL 201.A O no hydrogen 3.174 N/A HIS 188.A N ARG 199.A O no hydrogen 2.832 N/A LEU 190.A N ALA 197.A O no hydrogen 2.748 N/A ALA 192.A N GLN 195.A O no hydrogen 2.912 N/A ASN 193.A N GLU 170.A OE2 no hydrogen 3.273 N/A ASN 193.A ND2 MET 169.A O no hydrogen 3.451 N/A ASN 193.A ND2 GLN 175.A OE1 no hydrogen 2.858 N/A GLN 195.A N ALA 192.A O no hydrogen 3.242 N/A ALA 197.A N LEU 190.A O no hydrogen 2.678 N/A TRP 198.A N GLN 175.A O no hydrogen 2.899 N/A ARG 199.A N HIS 188.A O no hydrogen 3.101 N/A ARG 199.A NH1 HIS 179.A NE2 no hydrogen 3.037 N/A VAL 200.A N LEU 177.A O no hydrogen 2.870 N/A VAL 201.A N ALA 186.A O no hydrogen 2.877 N/A LEU 202.A N HIS 179.A O no hydrogen 2.901 N/A GLY 203.A N SER 210.A OG no hydrogen 2.838 N/A TRP 205.A N ASP 7.A O no hydrogen 2.974 N/A HIS 206.A N GLU 208.A O no hydrogen 3.089 N/A GLY 209.A N PHE 224.A O no hydrogen 2.890 N/A MET 211.A N ILE 222.A O no hydrogen 2.908 N/A VAL 212.A N PHE 4.A O no hydrogen 2.976 N/A LYS 213.A N GLU 220.A O no hydrogen 2.799 N/A LYS 213.A NZ GLU 28.A OE2 no hydrogen 3.379 N/A VAL 214.A N THR 2.A O no hydrogen 2.884 N/A THR 215.A N ASP 218.A O no hydrogen 2.838 N/A THR 215.A OG1 ASP 218.A O no hydrogen 3.283 N/A ASP 218.A N THR 215.A OG1 no hydrogen 3.184 N/A GLU 220.A N LYS 213.A O no hydrogen 2.902 N/A ILE 222.A N MET 211.A O no hydrogen 2.775 N/A HIS 223.A ND1 GLU 208.A OE1 no hydrogen 3.028 N/A HIS 223.A ND1 GLU 208.A OE2 no hydrogen 2.875 N/A PHE 224.A N GLY 209.A O no hydrogen 2.884 N/A PHE 226.A N SER 207.A O no hydrogen 3.419 N/A