Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qgj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N GLN 73.A OE1 no hydrogen 2.747 N/A ILE 3.A N THR 74.A O no hydrogen 2.795 N/A GLY 5.A N ARG 78.A O no hydrogen 2.822 N/A GLY 6.A N VAL 19.A O no hydrogen 2.747 N/A ILE 7.A N VAL 4.A O no hydrogen 3.414 N/A TYR 9.A N CYS 17.A O no hydrogen 2.947 N/A TYR 9.A OH THR 33.A OG1.A no hydrogen 2.833 N/A SER 10.A N ARG 45.A O no hydrogen 2.881 N/A SER 10.A OG.B SER 15.A O.A no hydrogen 3.128 N/A ILE 11.A N SER 15.A O.A no hydrogen 2.896 N/A ILE 11.A N SER 15.A O.B no hydrogen 2.808 N/A ASN 12.A N.A THR 43.A O no hydrogen 2.867 N/A ASN 12.A N.B THR 43.A O no hydrogen 2.863 N/A ASN 12.A ND2.B ASN 12.A O.B no hydrogen 2.717 N/A ALA 14.A N ILE 11.A O no hydrogen 2.916 N/A SER 15.A N.A ILE 11.A O no hydrogen 3.359 N/A SER 15.A N.B ILE 11.A O no hydrogen 3.369 N/A CYS 17.A N TYR 9.A O no hydrogen 2.946 N/A SER 18.A N SER 143.A O no hydrogen 2.871 N/A SER 18.A OG GLY 141.A O no hydrogen 2.864 N/A VAL 19.A N ILE 7.A O no hydrogen 2.869 N/A GLY 20.A N VAL 32.A O no hydrogen 2.845 N/A PHE 21.A N VAL 32.A O no hydrogen 3.373 N/A SER 22.A OG LEU 76.A O no hydrogen 3.046 N/A VAL 23.A N GLY 30.A O no hydrogen 2.900 N/A THR 24.A N SER 194.A O no hydrogen 2.891 N/A ARG 25.A N THR 28.A O no hydrogen 2.847 N/A ARG 25.A NE.B ARG 25.A O no hydrogen 3.405 N/A ARG 25.A NH1.A GLY 192.A O no hydrogen 2.924 N/A THR 28.A N ARG 25.A O no hydrogen 2.910 N/A LYS 29.A NZ.A SER 71.A O no hydrogen 2.606 N/A LYS 29.A NZ.A GLN 73.A O no hydrogen 2.777 N/A LYS 29.A NZ.B SER 71.A O no hydrogen 3.164 N/A LYS 29.A NZ.B GLN 73.A O no hydrogen 2.764 N/A GLY 30.A N VAL 23.A O no hydrogen 2.937 N/A PHE 31.A N VAL 67.A O no hydrogen 3.007 N/A VAL 32.A N PHE 21.A O no hydrogen 2.959 N/A THR 33.A N ALA 65.A O.A no hydrogen 3.035 N/A THR 33.A N ALA 65.A O.B no hydrogen 2.871 N/A THR 33.A OG1.A TYR 9.A OH no hydrogen 2.833 N/A THR 33.A OG1.A SER 18.A O no hydrogen 3.159 N/A THR 33.A OG1.B TYR 9.A OH no hydrogen 3.428 N/A ALA 34.A N THR 33.A OG1.A no hydrogen 2.972 N/A HIS 36.A N ASP 63.A OD2 no hydrogen 2.879 N/A CYS 37.A N ALA 34.A O no hydrogen 3.240 N/A CYS 37.A SG ALA 34.A O no hydrogen 3.430 N/A CYS 37.A SG SER 143.A O no hydrogen 3.925 N/A GLY 38.A N GLY 35.A O no hydrogen 3.398 N/A ASN 41.A N PHE 54.A O no hydrogen 2.835 N/A ALA 42.A N THR 39.A O no hydrogen 2.925 N/A THR 43.A N ASN 12.A OD1.A no hydrogen 2.932 N/A ALA 44.A N GLY 52.A O no hydrogen 2.882 N/A ARG 45.A N SER 10.A O no hydrogen 3.011 N/A ILE 46.A N ALA 49.A O no hydrogen 2.907 N/A ALA 49.A N ILE 46.A O no hydrogen 3.073 N/A VAL 51.A N ALA 44.A O no hydrogen 2.856 N/A THR 53.A N SER 68.A O no hydrogen 3.015 N/A THR 53.A OG1.B ALA 42.A O no hydrogen 2.947 N/A PHE 54.A N ALA 42.A O no hydrogen 2.881 N/A ALA 55.A N TRP 66.A O no hydrogen 2.792 N/A ARG 57.A NE.A GLY 35.A O no hydrogen 3.095 N/A ARG 57.A NE.A GLY 38.A O no hydrogen 3.035 N/A ARG 57.A NH2.A GLY 35.A O no hydrogen 2.888 N/A ARG 57.A NH2.A GLY 38.A O no hydrogen 3.515 N/A VAL 58.A N ARG 64.A O no hydrogen 2.827 N/A GLY 61.A N ALA 127.A O no hydrogen 2.766 N/A ASP 63.A N GLU 182.A OE2 no hydrogen 3.017 N/A ARG 64.A N VAL 58.A O no hydrogen 3.057 N/A ARG 64.A NE GLU 182.A OE2 no hydrogen 2.967 N/A ARG 64.A NH1 GLN 190.A OE1 no hydrogen 2.738 N/A ARG 64.A NH2 GLU 182.A OE2 no hydrogen 3.392 N/A ALA 65.A N.A THR 33.A O no hydrogen 2.999 N/A ALA 65.A N.B THR 33.A O no hydrogen 2.998 N/A TRP 66.A N ALA 56.A O no hydrogen 3.076 N/A VAL 67.A N PHE 31.A O no hydrogen 2.867 N/A SER 68.A N THR 53.A O no hydrogen 2.946 N/A SER 68.A OG THR 53.A O no hydrogen 3.499 N/A LEU 69.A N LYS 29.A O no hydrogen 2.848 N/A THR 70.A N VAL 51.A O no hydrogen 2.895 N/A GLN 73.A N THR 70.A O no hydrogen 3.124 N/A GLN 73.A NE2 THR 70.A OG1 no hydrogen 2.978 N/A THR 74.A N ALA 1.A O no hydrogen 2.896 N/A LEU 76.A N ILE 3.A O no hydrogen 3.143 N/A ARG 78.A N LEU 76.A O no hydrogen 2.897 N/A VAL 79.A N VAL 86.A O no hydrogen 2.887 N/A ALA 80.A N.A GLY 5.A O no hydrogen 2.756 N/A ALA 80.A N.B GLY 5.A O no hydrogen 2.796 N/A ASN 81.A N.A SER 84.A O no hydrogen 2.846 N/A ASN 81.A N.B SER 84.A O no hydrogen 3.293 N/A SER 84.A N ASN 81.A O.A no hydrogen 2.845 N/A VAL 86.A N VAL 79.A O no hydrogen 2.774 N/A VAL 88.A N PRO 77.A O no hydrogen 2.807 N/A ARG 89.A N GLY 152.A O no hydrogen 2.785 N/A ARG 89.A NH2.A GLY 198.A O no hydrogen 3.137 N/A GLY 90.A N GLY 152.A O no hydrogen 3.416 N/A SER 91.A OG GLN 185.A OE1.B no hydrogen 2.964 N/A THR 92.A N GLN 153.A OE1 no hydrogen 2.933 N/A THR 92.A OG1 GLN 153.A OE1 no hydrogen 3.372 N/A GLU 93.A OE1.B GLU 93.A OE2.B no hydrogen 2.180 N/A GLU 93.A OE1.B GLN 185.A OE1.A no hydrogen 2.958 N/A GLU 93.A OE1.C GLU 93.A OE2.C no hydrogen 2.137 N/A GLU 93.A OE1.C GLN 185.A OE1.A no hydrogen 2.935 N/A GLU 93.A OE2.B GLU 93.A OE1.B no hydrogen 2.180 N/A GLU 93.A OE2.C GLU 93.A OE1.C no hydrogen 2.137 N/A GLU 93.A OE2.C GLN 185.A OE1.A no hydrogen 1.615 N/A ALA 94.A N GLN 155.A OE1 no hydrogen 2.819 N/A GLY 97.A N ILE 114.A O no hydrogen 2.730 N/A ALA 98.A N ALA 95.A O no hydrogen 2.976 N/A VAL 100.A N GLY 112.A O no hydrogen 2.919 N/A CYS 101.A N ILE 148.A O.A no hydrogen 2.945 N/A CYS 101.A N ILE 148.A O.B no hydrogen 2.716 N/A ARG 102.A N GLN 110.A O no hydrogen 2.804 N/A ARG 102.A NH1 THR 107.A OG1 no hydrogen 2.795 N/A ARG 102.A NH1 CYS 137.A O no hydrogen 2.808 N/A ARG 102.A NH2 GLY 108.A O no hydrogen 3.206 N/A SER 103.A N SER 146.A O no hydrogen 2.863 N/A SER 103.A OG ALA 80.A O.A no hydrogen 2.831 N/A SER 103.A OG ALA 80.A O.B no hydrogen 2.740 N/A GLY 104.A N GLY 108.A O no hydrogen 3.151 N/A ARG 105.A N SER 18.A OG no hydrogen 2.928 N/A ARG 105.A NE GLU 8.A OE2 no hydrogen 2.792 N/A ARG 105.A NH1 GLU 8.A OE2 no hydrogen 3.131 N/A ARG 105.A NH2 THR 106.A OG1 no hydrogen 2.812 N/A THR 106.A N ASP 142.A OD2 no hydrogen 2.881 N/A THR 106.A OG1 ARG 140.A O no hydrogen 2.681 N/A THR 107.A N ASP 142.A OD2 no hydrogen 3.047 N/A THR 107.A OG1 ASP 142.A OD1 no hydrogen 2.681 N/A THR 107.A OG1 ASP 142.A OD2 no hydrogen 3.567 N/A GLY 108.A N GLY 104.A O no hydrogen 2.915 N/A GLN 110.A N ARG 102.A O no hydrogen 2.881 N/A GLN 110.A NE2 THR 107.A O no hydrogen 2.883 N/A GLY 112.A N VAL 100.A O no hydrogen 2.885 N/A THR 113.A N ASN 135.A OD1.A no hydrogen 2.753 N/A THR 113.A N ASN 135.A OD1.B no hydrogen 2.982 N/A THR 113.A OG1.A ALA 98.A O no hydrogen 3.042 N/A THR 113.A OG1.A ILE 114.A O no hydrogen 3.431 N/A ILE 114.A N ALA 98.A O no hydrogen 2.887 N/A THR 115.A N GLN 133.A O no hydrogen 2.791 N/A THR 115.A OG1 GLN 133.A O no hydrogen 3.410 N/A ALA 116.A N GLN 133.A O no hydrogen 3.326 N/A LYS 117.A NZ GLU 93.A OE2.B no hydrogen 2.947 N/A LYS 117.A NZ ALA 94.A O no hydrogen 2.843 N/A VAL 119.A N LEU 131.A O no hydrogen 2.852 N/A ALA 121.A N VAL 128.A O no hydrogen 2.801 N/A TYR 123.A OH SER 159.A OG no hydrogen 2.750 N/A GLU 125.A N GLU 125.A OE1 no hydrogen 2.787 N/A GLY 126.A N TYR 123.A O no hydrogen 2.927 N/A VAL 128.A N ALA 121.A O no hydrogen 2.944 N/A ARG 129.A N GLY 61.A O no hydrogen 2.881 N/A LEU 131.A N VAL 119.A O no hydrogen 2.893 N/A THR 132.A N PHE 181.A O no hydrogen 2.908 N/A GLN 133.A N ALA 116.A O no hydrogen 2.795 N/A GLN 133.A NE2 THR 115.A OG1 no hydrogen 2.947 N/A GLY 134.A N SER 179.A O no hydrogen 2.821 N/A ASN 135.A N.A THR 113.A O no hydrogen 3.070 N/A ASN 135.A N.B THR 113.A O no hydrogen 3.053 N/A GLY 139.A N ASP 142.A OD1 no hydrogen 2.760 N/A ARG 140.A N GLY 167.A O no hydrogen 2.839 N/A ASP 142.A N GLY 139.A O no hydrogen 2.912 N/A SER 143.A OG SER 159.A O no hydrogen 3.372 N/A GLY 144.A N MET 158.A O no hydrogen 2.770 N/A GLY 145.A N ASP 142.A O no hydrogen 2.978 N/A SER 146.A OG GLY 20.A O no hydrogen 2.626 N/A TRP 147.A N GLY 156.A O no hydrogen 2.900 N/A ILE 148.A N.A CYS 101.A O no hydrogen 2.857 N/A ILE 148.A N.B CYS 101.A O no hydrogen 2.829 N/A THR 149.A N GLN 153.A O no hydrogen 3.043 N/A GLY 152.A N THR 149.A O no hydrogen 2.821 N/A GLN 153.A N THR 149.A OG1 no hydrogen 3.070 N/A ALA 154.A N GLY 90.A O no hydrogen 2.779 N/A GLN 155.A N TRP 147.A O no hydrogen 2.783 N/A GLN 155.A NE2 THR 92.A O no hydrogen 2.860 N/A GLN 155.A NE2 GLN 153.A O no hydrogen 2.941 N/A GLY 156.A N TRP 147.A O no hydrogen 3.424 N/A VAL 157.A N GLU 182.A O no hydrogen 2.934 N/A MET 158.A N GLY 145.A O no hydrogen 2.769 N/A SER 159.A N LEU 180.A O no hydrogen 2.854 N/A SER 159.A OG ASP 63.A OD1 no hydrogen 2.670 N/A SER 159.A OG TYR 123.A OH no hydrogen 2.750 N/A GLY 160.A N LEU 180.A O no hydrogen 3.301 N/A ASN 162.A N SER 178.A O no hydrogen 3.066 N/A ASN 162.A ND2 GLN 176.A O no hydrogen 2.844 N/A VAL 163.A N GLY 161.A O no hydrogen 2.870 N/A GLN 164.A N ASN 168.A O no hydrogen 2.862 N/A GLN 164.A NE2 ASN 162.A O no hydrogen 2.922 N/A ASN 166.A ND2 ASN 168.A OD1 no hydrogen 3.627 N/A GLY 167.A N GLN 164.A O no hydrogen 2.912 N/A ASN 168.A N ASN 166.A OD1 no hydrogen 3.004 N/A ASN 169.A N MET 138.A O no hydrogen 2.980 N/A CYS 170.A N ASN 168.A OD1 no hydrogen 2.877 N/A GLN 176.A N PRO 173.A O no hydrogen 2.882 N/A ARG 177.A N.A ALA 174.A O no hydrogen 3.014 N/A ARG 177.A N.B ALA 174.A O no hydrogen 3.055 N/A ARG 177.A NE.A ASN 169.A O no hydrogen 2.980 N/A ARG 177.A NE.A ILE 172.A O no hydrogen 3.038 N/A ARG 177.A NH1.A ASN 135.A O.A no hydrogen 3.084 N/A ARG 177.A NH1.A ASN 135.A O.B no hydrogen 3.357 N/A ARG 177.A NH1.B ASN 135.A O.A no hydrogen 1.694 N/A ARG 177.A NH1.B ASN 135.A O.B no hydrogen 1.772 N/A ARG 177.A NH2.A ILE 172.A O no hydrogen 2.928 N/A SER 178.A N ASN 162.A OD1 no hydrogen 2.793 N/A SER 178.A OG.A GLN 133.A OE1 no hydrogen 2.917 N/A SER 178.A OG.B GLN 133.A OE1 no hydrogen 2.527 N/A SER 179.A N GLY 134.A O no hydrogen 3.157 N/A SER 179.A OG ALA 136.A O no hydrogen 2.656 N/A SER 179.A OG ASN 169.A OD1 no hydrogen 3.071 N/A LEU 180.A N GLY 160.A O no hydrogen 2.804 N/A PHE 181.A N THR 132.A O no hydrogen 2.776 N/A GLU 182.A N VAL 157.A O no hydrogen 2.853 N/A ARG 183.A NE.B GLU 93.A OE1.B no hydrogen 3.011 N/A ARG 183.A NE.B GLU 93.A OE2.C no hydrogen 2.928 N/A ARG 183.A NH1.B GLU 93.A OE2.C no hydrogen 2.893 N/A ARG 183.A NH1.B GLN 185.A OE1.A no hydrogen 3.339 N/A ARG 183.A NH2.A GLU 93.A OE1.B no hydrogen 3.158 N/A ARG 183.A NH2.A GLU 93.A OE2.C no hydrogen 2.471 N/A LEU 184.A N GLN 155.A O no hydrogen 2.977 N/A ILE 187.A N LEU 184.A O no hydrogen 2.930 N/A LEU 188.A N LEU 184.A O no hydrogen 3.133 N/A SER 189.A N GLN 185.A O no hydrogen 2.894 N/A SER 189.A OG.A GLN 185.A O no hydrogen 3.158 N/A GLN 190.A N PRO 186.A O no hydrogen 2.958 N/A TYR 191.A N ILE 187.A O no hydrogen 3.168 N/A LEU 193.A N LEU 188.A O no hydrogen 3.019 N/A SER 194.A N THR 24.A O no hydrogen 2.833 N/A VAL 196.A N SER 22.A O no hydrogen 3.061 N/A GLY 198.A N VAL 88.A O no hydrogen 2.870 N/A