Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4gyq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 7.A N THR 3.A O no hydrogen 3.036 N/A GLN 7.A NE2 GLN 6.A OE1 no hydrogen 2.882 N/A MET 8.A N ILE 4.A O no hydrogen 3.010 N/A GLU 9.A N ASP 12.A OD2 no hydrogen 2.855 N/A ASP 12.A N GLU 9.A O no hydrogen 3.027 N/A GLN 13.A N PHE 20.A O no hydrogen 2.833 N/A GLN 13.A NE2 GLU 77.A OE2.B no hydrogen 3.332 N/A ARG 14.A NH2.A GLY 16.A O no hydrogen 3.403 N/A ARG 14.A NH2.B GLY 16.A O no hydrogen 2.913 N/A PHE 15.A N LEU 18.A O no hydrogen 2.827 N/A LEU 18.A N PHE 15.A O no hydrogen 2.936 N/A VAL 19.A N THR 31.A O no hydrogen 2.971 N/A PHE 20.A N GLN 13.A O no hydrogen 2.813 N/A ARG 21.A N GLN 29.A O no hydrogen 3.025 N/A ARG 21.A NE ASP 12.A OD1 no hydrogen 2.839 N/A ARG 21.A NH1 ASP 12.A OD2 no hydrogen 2.936 N/A GLN 22.A NE2 ALA 24.A O no hydrogen 3.159 N/A GLN 22.A NE2 PRO 25.A O no hydrogen 3.133 N/A LEU 23.A N VAL 27.A O no hydrogen 2.789 N/A ALA 24.A N VAL 27.A O no hydrogen 3.242 N/A VAL 27.A N ALA 24.A O no hydrogen 3.157 N/A TRP 28.A N ILE 48.A O no hydrogen 2.852 N/A GLN 29.A N ARG 21.A O no hydrogen 2.796 N/A HIS 30.A N GLY 46.A O no hydrogen 2.931 N/A HIS 30.A NE2 ASP 59.A O no hydrogen 2.921 N/A THR 31.A N VAL 19.A O no hydrogen 2.802 N/A THR 31.A OG1 ASN 45.A OD1 no hydrogen 2.718 N/A SER 32.A N SER 44.A O no hydrogen 3.005 N/A LEU 34.A N VAL 42.A O no hydrogen 3.021 N/A MET 36.A N GLY 40.A O no hydrogen 2.779 N/A PHE 39.A N MET 36.A O no hydrogen 2.883 N/A VAL 42.A N LEU 34.A O no hydrogen 2.784 N/A SER 44.A N SER 32.A O no hydrogen 2.828 N/A ASN 45.A N SER 215.A O no hydrogen 2.741 N/A ASN 45.A ND2 MET 214.A O no hydrogen 2.994 N/A GLY 46.A N HIS 30.A O no hydrogen 2.938 N/A LEU 47.A N VAL 58.A O no hydrogen 2.914 N/A ILE 48.A N TRP 28.A O no hydrogen 2.810 N/A VAL 49.A N LEU 56.A O no hydrogen 2.790 N/A ARG 50.A N ASN 26.A O no hydrogen 2.852 N/A ARG 50.A NE ASN 26.A OD1 no hydrogen 2.883 N/A ARG 50.A NH1 PRO 25.A O no hydrogen 3.086 N/A ARG 50.A NH1 ASN 26.A OD1 no hydrogen 3.286 N/A ASP 51.A N ARG 54.A O no hydrogen 2.823 N/A ARG 54.A N ASP 51.A O no hydrogen 3.238 N/A ARG 54.A NE ASP 51.A OD2 no hydrogen 3.000 N/A ARG 54.A NH1 ASN 142.A O no hydrogen 3.041 N/A ARG 54.A NH2 ASP 51.A OD2 no hydrogen 2.940 N/A ARG 54.A NH2 ASN 142.A O no hydrogen 2.694 N/A VAL 55.A N PRO 81.A O no hydrogen 2.863 N/A LEU 56.A N VAL 49.A O no hydrogen 2.773 N/A VAL 57.A N LEU 84.A O no hydrogen 3.062 N/A VAL 58.A N LEU 47.A O no hydrogen 2.856 N/A ASP 59.A N VAL 86.A O no hydrogen 2.810 N/A THR 60.A OG1 ALA 61.A O no hydrogen 2.758 N/A ALA 61.A N THR 67.A OG1 no hydrogen 3.017 N/A TRP 62.A N SER 32.A OG no hydrogen 3.332 N/A TRP 62.A NE1 VAL 42.A O no hydrogen 3.041 N/A THR 63.A N GLN 66.A OE1 no hydrogen 3.201 N/A GLN 66.A N THR 63.A OG1 no hydrogen 3.087 N/A GLN 66.A NE2 TYR 33.A O no hydrogen 2.817 N/A THR 67.A N THR 63.A O no hydrogen 2.917 N/A THR 67.A OG1 THR 63.A O no hydrogen 2.795 N/A ALA 68.A N ASP 64.A O.A no hydrogen 2.841 N/A ALA 68.A N ASP 64.A O.B no hydrogen 2.904 N/A GLN 69.A N.A ASP 65.A O no hydrogen 3.085 N/A GLN 69.A N.B ASP 65.A O no hydrogen 3.108 N/A GLN 69.A N.B GLN 66.A O no hydrogen 3.086 N/A ILE 70.A N GLN 66.A O no hydrogen 3.014 N/A LEU 71.A N THR 67.A O no hydrogen 3.101 N/A ASN 72.A N ALA 68.A O no hydrogen 2.903 N/A ASN 72.A ND2 GLN 69.A OE1.A no hydrogen 2.967 N/A ASN 72.A ND2 GLN 69.A OE1.B no hydrogen 2.862 N/A TRP 73.A N GLN 69.A O.A no hydrogen 2.868 N/A TRP 73.A N GLN 69.A O.B no hydrogen 2.979 N/A TRP 73.A NE1 GLN 13.A OE1 no hydrogen 3.026 N/A ILE 74.A N ILE 70.A O no hydrogen 2.919 N/A LYS 75.A N.A LEU 71.A O no hydrogen 2.989 N/A LYS 75.A N.B LEU 71.A O no hydrogen 2.998 N/A GLN 76.A N ASN 72.A O no hydrogen 3.060 N/A GLN 76.A NE2 GLU 77.A OE2.A no hydrogen 3.562 N/A GLU 77.A N.A TRP 73.A O no hydrogen 2.833 N/A GLU 77.A N.B TRP 73.A O no hydrogen 2.823 N/A ILE 78.A N ILE 74.A O no hydrogen 2.806 N/A ASN 79.A N ILE 74.A O no hydrogen 2.815 N/A ALA 83.A N VAL 55.A O no hydrogen 2.839 N/A ALA 85.A N ALA 104.A O no hydrogen 2.925 N/A VAL 86.A N VAL 57.A O no hydrogen 2.881 N/A VAL 87.A N.A TYR 106.A O no hydrogen 2.866 N/A VAL 87.A N.B TYR 106.A O no hydrogen 2.887 N/A THR 88.A N ASP 59.A OD1 no hydrogen 2.741 N/A THR 88.A OG1 ASP 59.A OD1 no hydrogen 3.258 N/A THR 88.A OG1 ASP 59.A OD2 no hydrogen 2.718 N/A THR 88.A OG1 HIS 89.A ND1.B no hydrogen 2.934 N/A HIS 89.A ND1.B THR 88.A OG1 no hydrogen 2.934 N/A ALA 90.A N ASP 158.A OD2 no hydrogen 2.876 N/A GLY 93.A N.A TRP 62.A O no hydrogen 3.280 N/A GLY 94.A N THR 60.A OG1 no hydrogen 3.063 N/A MET 95.A N.A MET 92.A O.B no hydrogen 3.151 N/A MET 95.A N.B MET 92.A O.B no hydrogen 3.156 N/A ALA 97.A N ASP 64.A OD1.A no hydrogen 3.018 N/A LEU 98.A N GLY 94.A O no hydrogen 3.340 N/A HIS 99.A N MET 95.A O.A no hydrogen 2.932 N/A HIS 99.A N MET 95.A O.B no hydrogen 2.987 N/A HIS 99.A NE2 THR 105.A OG1 no hydrogen 2.721 N/A ALA 100.A N ASP 96.A O no hydrogen 2.857 N/A ALA 101.A N ALA 97.A O no hydrogen 3.231 N/A ALA 101.A N LEU 98.A O no hydrogen 3.068 N/A GLY 102.A N HIS 99.A O no hydrogen 2.912 N/A ILE 103.A N LEU 98.A O no hydrogen 3.066 N/A THR 105.A OG1 HIS 99.A NE2 no hydrogen 2.721 N/A TYR 106.A N ALA 85.A O no hydrogen 2.862 N/A ALA 107.A N HIS 125.A O no hydrogen 3.095 N/A ASN 108.A ND2 ASP 158.A O no hydrogen 3.013 N/A ALA 109.A N LEU 127.A O no hydrogen 2.922 N/A LEU 110.A N ASN 108.A OD1 no hydrogen 3.124 N/A SER 111.A OG ASP 158.A OD2 no hydrogen 2.651 N/A ASN 112.A N ASN 108.A O no hydrogen 3.031 N/A ASN 112.A ND2 HIS 125.A O no hydrogen 3.141 N/A ASN 112.A ND2 SER 126.A OG no hydrogen 2.944 N/A GLN 113.A N ALA 109.A O no hydrogen 2.896 N/A LEU 114.A N LEU 110.A O no hydrogen 2.893 N/A ALA 115.A N ASN 112.A O no hydrogen 3.368 N/A GLU 118.A N LEU 114.A O no hydrogen 3.149 N/A GLU 118.A N ALA 115.A O no hydrogen 2.997 N/A GLY 119.A N PRO 116.A O no hydrogen 3.030 N/A MET 120.A N ALA 115.A O no hydrogen 2.924 N/A ALA 123.A N ASN 112.A OD1 no hydrogen 2.887 N/A GLN 124.A N THR 105.A OG1 no hydrogen 2.858 N/A HIS 125.A N THR 105.A O no hydrogen 2.940 N/A LEU 127.A N ALA 107.A O no hydrogen 2.737 N/A THR 128.A N THR 139.A OG1 no hydrogen 3.313 N/A THR 128.A OG1 GLU 136.A OE1.B no hydrogen 2.797 N/A ALA 130.A N TRP 134.A O no hydrogen 2.968 N/A GLY 133.A N ALA 130.A O no hydrogen 2.932 N/A TRP 134.A N ASN 132.A OD1 no hydrogen 2.999 N/A VAL 135.A N VAL 148.A O no hydrogen 3.073 N/A GLU 136.A N.A THR 128.A O no hydrogen 2.820 N/A GLU 136.A N.B THR 128.A O no hydrogen 2.802 N/A THR 139.A N GLU 136.A O.A no hydrogen 2.795 N/A THR 139.A N GLU 136.A O.B no hydrogen 2.897 N/A THR 139.A OG1 GLU 136.A O.A no hydrogen 2.799 N/A THR 139.A OG1 GLU 136.A O.B no hydrogen 2.820 N/A ALA 140.A N PRO 137.A O no hydrogen 3.027 N/A LEU 146.A N PHE 143.A O no hydrogen 2.997 N/A LYS 147.A N GLY 163.A O no hydrogen 2.844 N/A LYS 147.A NZ GLY 144.A O no hydrogen 3.232 N/A PHE 149.A N THR 161.A O no hydrogen 2.926 N/A TYR 150.A N GLY 133.A O no hydrogen 2.732 N/A TYR 150.A OH SER 157.A O no hydrogen 2.703 N/A GLY 154.A N THR 156.A O no hydrogen 2.960 N/A THR 156.A N ASN 159.A OD1 no hydrogen 3.128 N/A THR 156.A OG1 ASP 158.A OD1 no hydrogen 2.716 N/A ASN 159.A ND2 GLY 152.A O no hydrogen 2.986 N/A ASN 159.A ND2 ASN 159.A O no hydrogen 2.725 N/A ILE 160.A N THR 88.A O no hydrogen 3.002 N/A THR 161.A N PHE 149.A O no hydrogen 2.855 N/A THR 161.A OG1 PHE 149.A O no hydrogen 2.846 N/A VAL 162.A N PHE 171.A O no hydrogen 3.003 N/A GLY 163.A N LYS 147.A O no hydrogen 2.846 N/A ILE 164.A N ILE 169.A O no hydrogen 3.027 N/A ASP 165.A N PRO 145.A O no hydrogen 2.785 N/A THR 167.A N ILE 164.A O no hydrogen 3.129 N/A THR 167.A OG1 ILE 164.A O no hydrogen 2.745 N/A ILE 169.A N THR 167.A OG1 no hydrogen 2.994 N/A ALA 170.A N MET 211.A O no hydrogen 3.053 N/A PHE 171.A N VAL 162.A O no hydrogen 2.694 N/A GLY 172.A N VAL 213.A O no hydrogen 2.832 N/A CYS 174.A SG.A HIS 89.A ND1.A no hydrogen 3.774 N/A CYS 174.A SG.A HIS 216.A NE2 no hydrogen 3.624 N/A CYS 174.A SG.B HIS 89.A ND1.A no hydrogen 3.261 N/A LEU 175.A N GLY 172.A O no hydrogen 3.114 N/A LYS 177.A N THR 228.A OG1 no hydrogen 2.882 N/A LYS 177.A NZ HIS 155.A ND1 no hydrogen 3.517 N/A LYS 177.A NZ CYS 174.A O.A no hydrogen 2.755 N/A LYS 177.A NZ CYS 174.A O.B no hydrogen 2.798 N/A LYS 177.A NZ LEU 184.A O no hydrogen 3.316 N/A SER 179.A N ASP 220.A OD2 no hydrogen 2.864 N/A SER 179.A OG ASP 220.A OD2 no hydrogen 2.873 N/A LYS 180.A N ASP 178.A OD1 no hydrogen 2.917 N/A ALA 181.A N ASP 178.A O no hydrogen 3.005 N/A GLY 185.A N SER 183.A OG no hydrogen 3.136 N/A GLY 188.A N ASN 186.A OD1 no hydrogen 2.884 N/A ALA 190.A N LEU 187.A O no hydrogen 3.007 N/A ASP 191.A N GLY 154.A O no hydrogen 2.989 N/A HIS 194.A N ASP 191.A OD1 no hydrogen 3.016 N/A HIS 194.A ND1 ASP 191.A OD2 no hydrogen 2.645 N/A TYR 195.A OH LEU 175.A O no hydrogen 2.778 N/A SER 198.A N HIS 194.A O no hydrogen 2.919 N/A SER 198.A OG PRO 151.A O no hydrogen 3.438 N/A SER 198.A OG PRO 153.A O no hydrogen 2.651 N/A SER 198.A OG HIS 194.A O no hydrogen 3.133 N/A ALA 199.A N TYR 195.A O no hydrogen 2.892 N/A ARG 200.A N ALA 196.A O no hydrogen 3.013 N/A ARG 200.A NH1 ASP 233.A OD1 no hydrogen 2.888 N/A ARG 200.A NH2 ASP 233.A OD2 no hydrogen 2.811 N/A ALA 201.A N ALA 197.A O no hydrogen 2.815 N/A PHE 202.A N SER 198.A O no hydrogen 3.005 N/A GLY 203.A N ALA 199.A O no hydrogen 3.218 N/A ALA 204.A N ARG 200.A O no hydrogen 2.923 N/A ALA 205.A N ALA 201.A O no hydrogen 2.862 N/A PHE 206.A N PHE 202.A O no hydrogen 3.267 N/A ALA 209.A N PHE 206.A O no hydrogen 3.242 N/A SER 210.A N ASP 168.A O.A no hydrogen 3.049 N/A SER 210.A N ASP 168.A O.B no hydrogen 2.889 N/A MET 211.A N ASP 168.A O.A no hydrogen 2.810 N/A MET 211.A N ASP 168.A O.B no hydrogen 2.962 N/A ILE 212.A N ASP 220.A O no hydrogen 2.815 N/A VAL 213.A N ALA 170.A O no hydrogen 2.898 N/A SER 215.A N GLY 173.A O no hydrogen 2.923 N/A HIS 216.A ND1 ALA 43.A O no hydrogen 2.771 N/A SER 217.A OG ASP 178.A OD2 no hydrogen 2.667 N/A ASP 220.A N ILE 212.A O no hydrogen 2.943 N/A SER 221.A N ASP 220.A OD1 no hydrogen 2.735 N/A ARG 222.A NH1 PHE 206.A O no hydrogen 2.765 N/A ARG 222.A NH1 ALA 209.A O no hydrogen 2.798 N/A ARG 222.A NH2 GLY 203.A O no hydrogen 2.859 N/A ALA 223.A N SER 221.A OG no hydrogen 3.087 N/A ALA 224.A N SER 221.A O no hydrogen 3.064 N/A ILE 225.A N ARG 222.A O no hydrogen 2.869 N/A THR 226.A N ARG 222.A O no hydrogen 3.228 N/A HIS 227.A N ALA 223.A O no hydrogen 2.871 N/A HIS 227.A NE2 ALA 181.A O no hydrogen 2.751 N/A THR 228.A N ALA 224.A O no hydrogen 2.932 N/A THR 228.A OG1 LYS 177.A O no hydrogen 3.019 N/A THR 228.A OG1 ALA 224.A O no hydrogen 2.840 N/A ALA 229.A N ILE 225.A O no hydrogen 2.936 N/A ARG 230.A N THR 226.A O no hydrogen 2.987 N/A MET 231.A N HIS 227.A O no hydrogen 2.929 N/A ALA 232.A N THR 228.A O no hydrogen 2.909 N/A ASP 233.A N ALA 229.A O no hydrogen 2.775 N/A LYS 234.A N MET 231.A O no hydrogen 3.155 N/A LEU 235.A N ALA 232.A O no hydrogen 3.021 N/A ARG 236.A N ASP 233.A O no hydrogen 3.347 N/A ARG 236.A NE GLU 193.A O no hydrogen 3.003 N/A ARG 236.A NH2 GLU 193.A OE2 no hydrogen 2.853 N/A