Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2gqu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NE GLU 5.A OE1 no hydrogen 3.309 N/A ARG 3.A NH2 GLU 5.A OE1 no hydrogen 2.889 N/A GLU 5.A N LEU 23.A O no hydrogen 3.103 N/A VAL 7.A N ALA 21.A O no hydrogen 2.868 N/A LEU 9.A N GLY 19.A O no hydrogen 2.889 N/A LYS 10.A N GLY 18.A O no hydrogen 2.993 N/A LYS 10.A NZ ASP 11.A OD1 no hydrogen 3.013 N/A ASP 11.A N LEU 8.A O no hydrogen 3.009 N/A TYR 12.A N LEU 9.A O no hydrogen 2.846 N/A THR 13.A OG1 LEU 9.A O no hydrogen 3.269 N/A THR 13.A OG1 VAL 17.A O no hydrogen 2.987 N/A THR 14.A N GLY 46.A O no hydrogen 2.995 N/A THR 14.A OG1 GLY 46.A O no hydrogen 3.554 N/A THR 14.A OG1 SER 194.A O no hydrogen 2.651 N/A GLY 16.A N THR 13.A O no hydrogen 3.164 N/A GLY 16.A N THR 13.A OG1 no hydrogen 3.312 N/A GLY 19.A N LEU 52.A O no hydrogen 2.967 N/A ALA 21.A N VAL 7.A O no hydrogen 2.949 N/A LEU 23.A N GLU 5.A O no hydrogen 2.813 N/A TRP 24.A N VAL 60.A O no hydrogen 2.729 N/A TRP 24.A NE1 GLU 22.A OE1 no hydrogen 2.677 N/A THR 25.A N ARG 3.A O no hydrogen 2.934 N/A VAL 26.A N ARG 62.A O no hydrogen 2.874 N/A GLU 27.A N GLU 31.A OE2 no hydrogen 2.714 N/A ARG 29.A NH1 GLU 130.A OE1 no hydrogen 3.117 N/A ARG 29.A NH1 GLU 130.A OE2 no hydrogen 3.125 N/A ARG 29.A NH2 GLU 130.A OE1 no hydrogen 2.971 N/A GLU 31.A N THR 28.A OG1 no hydrogen 3.118 N/A LEU 32.A N THR 28.A O no hydrogen 2.975 N/A LYS 33.A N ARG 29.A O no hydrogen 3.050 N/A ARG 34.A N GLU 30.A O no hydrogen 3.153 N/A ALA 35.A N GLU 31.A O no hydrogen 2.940 N/A THR 36.A N LEU 32.A O no hydrogen 3.219 N/A THR 36.A OG1 LEU 32.A O no hydrogen 2.954 N/A THR 36.A OG1 LYS 33.A O no hydrogen 3.148 N/A GLU 37.A N ARG 34.A O no hydrogen 3.178 N/A TYR 40.A OH GLY 157.A O no hydrogen 2.519 N/A ARG 41.A N ARG 59.A O no hydrogen 2.796 N/A ARG 41.A NE GLU 58.A OE1 no hydrogen 2.777 N/A ARG 41.A NH2 GLU 58.A OE1 no hydrogen 3.300 N/A LEU 43.A N ILE 61.A O no hydrogen 2.835 N/A ASN 45.A ND2 PRO 104.A O no hydrogen 2.819 N/A SER 47.A OG PRO 104.A O no hydrogen 3.223 N/A LEU 50.A N GLU 263.A O no hydrogen 2.824 N/A LEU 52.A N TRP 265.A O no hydrogen 2.713 N/A GLU 54.A N GLU 54.A OE2 no hydrogen 2.841 N/A GLY 55.A N LEU 52.A O no hydrogen 3.004 N/A VAL 56.A N PRO 20.A O no hydrogen 3.166 N/A ARG 59.A N PRO 39.A O no hydrogen 3.098 N/A ARG 59.A NH1 ARG 34.A O no hydrogen 3.285 N/A ARG 59.A NH1 ALA 35.A O no hydrogen 2.979 N/A VAL 60.A N GLU 22.A O no hydrogen 2.867 N/A ILE 61.A N ARG 41.A O no hydrogen 2.822 N/A ARG 62.A N TRP 24.A O no hydrogen 2.933 N/A ARG 62.A NH1 THR 25.A OG1 no hydrogen 3.087 N/A ALA 64.A N VAL 26.A O no hydrogen 2.774 N/A GLU 66.A N GLU 27.A O no hydrogen 2.952 N/A PHE 67.A N ALA 64.A O no hydrogen 2.893 N/A GLN 68.A N GLY 65.A O no hydrogen 2.940 N/A THR 69.A N GLU 66.A O no hydrogen 3.345 N/A THR 69.A OG1 GLU 66.A O no hydrogen 2.633 N/A TYR 70.A OH GLU 88.A OE2 no hydrogen 2.631 N/A ASP 71.A N TRP 75.A O no hydrogen 2.925 N/A LYS 73.A N ASP 71.A OD1 no hydrogen 2.874 N/A GLY 74.A N ASP 71.A O no hydrogen 2.828 N/A VAL 76.A N VAL 163.A O no hydrogen 2.744 N/A GLY 77.A N THR 69.A O no hydrogen 2.845 N/A ALA 78.A N THR 161.A O no hydrogen 2.860 N/A GLY 79.A N PHE 67.A O no hydrogen 2.787 N/A THR 80.A N GLY 77.A O no hydrogen 3.108 N/A THR 80.A OG1 GLY 77.A O no hydrogen 2.867 N/A LEU 82.A N ALA 105.A O no hydrogen 2.762 N/A LEU 85.A N LEU 81.A O no hydrogen 3.242 N/A VAL 86.A N LEU 82.A O no hydrogen 2.897 N/A GLN 87.A N PRO 83.A O no hydrogen 3.326 N/A GLU 88.A N LEU 84.A O no hydrogen 2.846 N/A ALA 89.A N LEU 85.A O no hydrogen 2.828 N/A ALA 90.A N VAL 86.A O no hydrogen 3.315 N/A ARG 91.A N GLN 87.A O no hydrogen 2.973 N/A ARG 91.A NH1 GLU 88.A OE1 no hydrogen 2.872 N/A ALA 92.A N GLU 88.A O no hydrogen 2.954 N/A ALA 92.A N ALA 89.A O no hydrogen 3.161 N/A GLY 93.A N ALA 90.A O no hydrogen 3.063 N/A LEU 94.A N ALA 89.A O no hydrogen 2.863 N/A SER 95.A N LYS 168.A O no hydrogen 2.712 N/A SER 95.A OG GLU 98.A OE1 no hydrogen 3.410 N/A SER 95.A OG GLU 98.A OE2 no hydrogen 2.655 N/A GLY 96.A N GLU 98.A OE1 no hydrogen 2.818 N/A GLU 98.A N GLU 98.A OE1 no hydrogen 2.744 N/A LEU 100.A N LEU 97.A O no hydrogen 2.900 N/A LEU 101.A N GLU 98.A O no hydrogen 3.211 N/A ILE 103.A N LEU 100.A O no hydrogen 3.323 N/A ALA 105.A N ILE 103.A O no hydrogen 2.902 N/A VAL 107.A N THR 80.A O no hydrogen 2.882 N/A GLY 108.A N ALA 78.A O no hydrogen 2.917 N/A ALA 110.A N GLN 106.A O no hydrogen 2.897 N/A VAL 111.A N VAL 107.A O no hydrogen 2.943 N/A LYS 112.A N GLY 108.A O no hydrogen 2.926 N/A MET 113.A N GLY 109.A O no hydrogen 2.970 N/A ASN 114.A N VAL 111.A O no hydrogen 3.061 N/A ASN 114.A ND2 GLY 148.A O no hydrogen 2.884 N/A ALA 115.A N ALA 110.A O no hydrogen 2.894 N/A THR 117.A N GLY 120.A O no hydrogen 2.912 N/A THR 117.A OG1 GLY 99.A O no hydrogen 2.657 N/A PHE 119.A N THR 117.A OG1 no hydrogen 3.042 N/A GLY 120.A N THR 117.A O no hydrogen 3.371 N/A GLU 121.A N ASP 124.A OD2 no hydrogen 3.004 N/A MET 122.A N ALA 115.A O no hydrogen 2.779 N/A ALA 123.A N ASN 114.A OD1 no hydrogen 2.886 N/A ASP 124.A N GLU 121.A O no hydrogen 2.914 N/A ALA 125.A N MET 122.A O no hydrogen 2.896 N/A LEU 126.A N ALA 123.A O no hydrogen 3.430 N/A GLU 127.A N ARG 164.A O no hydrogen 2.722 N/A ALA 128.A N ARG 164.A O no hydrogen 3.378 N/A VAL 129.A N TYR 140.A O no hydrogen 2.747 N/A GLU 130.A N ARG 162.A O no hydrogen 2.768 N/A VAL 131.A N HIS 138.A O no hydrogen 2.788 N/A PHE 132.A N ILE 159.A O no hydrogen 2.772 N/A HIS 133.A N ALA 136.A O no hydrogen 2.941 N/A HIS 133.A ND1 ASP 134.A OD2 no hydrogen 3.078 N/A HIS 133.A NE2 TYR 140.A OH no hydrogen 2.710 N/A ALA 136.A N HIS 133.A O no hydrogen 3.060 N/A HIS 138.A N VAL 131.A O no hydrogen 2.935 N/A TYR 140.A N VAL 129.A O no hydrogen 2.782 N/A TYR 140.A OH HIS 133.A NE2 no hydrogen 2.710 N/A CYS 141.A N GLU 144.A OE2 no hydrogen 2.862 N/A GLU 143.A N GLU 143.A OE1 no hydrogen 2.803 N/A GLU 144.A N CYS 141.A O no hydrogen 2.964 N/A LEU 145.A N PRO 142.A O no hydrogen 2.976 N/A GLY 148.A N LYS 151.A O no hydrogen 2.934 N/A ARG 150.A NE GLU 261.A OE1 no hydrogen 3.372 N/A ARG 150.A NE GLU 261.A OE2 no hydrogen 2.988 N/A ARG 150.A NH1 GLY 116.A O no hydrogen 3.274 N/A ARG 150.A NH2 GLY 116.A O no hydrogen 3.166 N/A LYS 151.A N GLY 148.A O no hydrogen 3.256 N/A SER 152.A OG LYS 112.A O no hydrogen 2.650 N/A HIS 153.A N LEU 145.A O no hydrogen 2.770 N/A GLY 158.A N PRO 155.A O no hydrogen 2.804 N/A ILE 159.A N PHE 132.A O no hydrogen 2.834 N/A THR 161.A N GLU 130.A O no hydrogen 2.942 N/A THR 161.A OG1 GLU 130.A O no hydrogen 3.219 N/A THR 161.A OG1 GLU 130.A OE2 no hydrogen 2.625 N/A VAL 163.A N VAL 76.A O no hydrogen 2.776 N/A ARG 164.A N ALA 128.A O no hydrogen 2.899 N/A LYS 166.A N ALA 125.A O no hydrogen 2.727 N/A LYS 166.A NZ ASP 124.A O no hydrogen 2.778 N/A LYS 168.A N SER 95.A O no hydrogen 2.985 N/A ARG 170.A N GLY 93.A O no hydrogen 2.963 N/A ARG 170.A NE GLU 174.A OE2 no hydrogen 2.840 N/A ARG 170.A NH2 GLU 174.A OE2 no hydrogen 2.817 N/A GLU 174.A N PRO 171.A O no hydrogen 3.069 N/A ILE 175.A N PRO 171.A O no hydrogen 3.208 N/A LEU 176.A N LYS 172.A O no hydrogen 3.024 N/A ARG 177.A N GLU 173.A O no hydrogen 3.018 N/A ARG 177.A NE GLU 173.A OE1 no hydrogen 2.875 N/A ARG 177.A NH2 GLU 173.A OE1 no hydrogen 3.318 N/A ARG 177.A NH2 GLU 173.A OE2 no hydrogen 2.822 N/A ARG 178.A N GLU 174.A O no hydrogen 3.068 N/A MET 179.A N ILE 175.A O no hydrogen 2.943 N/A ALA 180.A N LEU 176.A O no hydrogen 2.885 N/A GLU 181.A N ARG 177.A O no hydrogen 3.211 N/A VAL 182.A N ARG 178.A O no hydrogen 3.223 N/A ASP 183.A N MET 179.A O no hydrogen 2.986 N/A ARG 184.A N ALA 180.A O no hydrogen 2.954 N/A ARG 184.A NE GLU 181.A OE1 no hydrogen 3.372 N/A ARG 184.A NE GLU 181.A OE2 no hydrogen 2.949 N/A ARG 184.A NH2 GLU 181.A OE2 no hydrogen 2.876 N/A ALA 185.A N GLU 181.A O no hydrogen 2.953 N/A ARG 186.A N VAL 182.A O no hydrogen 3.062 N/A ARG 186.A N ASP 183.A O no hydrogen 3.091 N/A ARG 186.A NH1 LEU 101.A O no hydrogen 3.053 N/A ARG 186.A NH2 GLN 189.A OE1 no hydrogen 2.896 N/A LYS 187.A N ARG 184.A O no hydrogen 3.205 N/A GLN 189.A N ARG 186.A O no hydrogen 2.993 N/A GLY 196.A N SER 194.A OG no hydrogen 3.086 N/A ALA 198.A N ASN 232.A O no hydrogen 2.828 N/A PHE 199.A N ASN 232.A OD1 no hydrogen 2.889 N/A LYS 200.A N GLU 259.A O no hydrogen 2.944 N/A LYS 200.A NZ LEU 260.A O no hydrogen 2.977 N/A ASN 201.A N TYR 149.A OH no hydrogen 2.943 N/A GLN 205.A N PRO 202.A O no hydrogen 2.883 N/A ALA 207.A N ASN 201.A OD1 no hydrogen 2.795 N/A ARG 209.A N SER 206.A OG no hydrogen 3.282 N/A LEU 210.A N SER 206.A O no hydrogen 3.055 N/A ILE 211.A N ALA 207.A O no hydrogen 2.879 N/A ASP 212.A N GLY 208.A O no hydrogen 2.893 N/A GLU 213.A N ARG 209.A O no hydrogen 2.910 N/A ARG 214.A N LEU 210.A O no hydrogen 3.173 N/A ARG 214.A N ILE 211.A O no hydrogen 3.225 N/A ARG 214.A NH1 GLU 255.A O no hydrogen 2.828 N/A GLY 215.A N ASP 212.A O no hydrogen 2.948 N/A LEU 216.A N ILE 211.A O no hydrogen 3.219 N/A LYS 217.A NZ ASP 212.A OD1 no hydrogen 3.301 N/A LYS 217.A NZ LEU 228.A O no hydrogen 3.202 N/A GLY 218.A N ILE 226.A O no hydrogen 2.806 N/A LEU 219.A N LEU 216.A O no hydrogen 3.188 N/A ARG 220.A NE GLY 222.A O no hydrogen 2.733 N/A ARG 220.A NH2 ASP 223.A OD1 no hydrogen 3.214 N/A VAL 221.A N ALA 224.A O no hydrogen 2.871 N/A ALA 224.A N VAL 221.A O no hydrogen 3.022 N/A MET 225.A N VAL 235.A O no hydrogen 3.010 N/A ILE 226.A N LEU 219.A O no hydrogen 2.994 N/A SER 227.A N PHE 233.A O no hydrogen 2.806 N/A GLU 229.A N SER 227.A OG no hydrogen 2.787 N/A HIS 230.A N SER 227.A OG no hydrogen 3.221 N/A ASN 232.A N HIS 230.A ND1 no hydrogen 3.137 N/A ASN 232.A ND2 PHE 199.A O no hydrogen 2.796 N/A PHE 233.A N HIS 230.A O no hydrogen 3.085 N/A VAL 235.A N MET 225.A O no hydrogen 2.775 N/A ASN 236.A N LYS 193.A O no hydrogen 2.994 N/A LEU 237.A N ASP 223.A O no hydrogen 2.825 N/A GLN 239.A N ASP 223.A OD2 no hydrogen 2.877 N/A ARG 241.A N ASP 244.A OD2 no hydrogen 2.890 N/A ALA 242.A N ASP 53.A OD1 no hydrogen 2.879 N/A LYS 243.A N ASP 53.A OD2 no hydrogen 2.943 N/A ASP 244.A N ARG 241.A O no hydrogen 2.979 N/A VAL 245.A N ARG 241.A O no hydrogen 3.199 N/A LEU 246.A N ALA 242.A O no hydrogen 2.847 N/A GLU 247.A N LYS 243.A O no hydrogen 3.078 N/A LEU 248.A N ASP 244.A O no hydrogen 3.100 N/A VAL 249.A N VAL 245.A O no hydrogen 2.966 N/A ARG 250.A N LEU 246.A O no hydrogen 2.964 N/A ARG 251.A N GLU 247.A O no hydrogen 2.889 N/A VAL 252.A N LEU 248.A O no hydrogen 3.131 N/A GLN 253.A N VAL 249.A O no hydrogen 2.962 N/A GLN 253.A NE2 LEU 258.A O no hydrogen 2.908 N/A GLU 254.A N ARG 250.A O no hydrogen 2.852 N/A GLU 255.A N VAL 252.A O no hydrogen 2.886 N/A LEU 256.A N VAL 252.A O no hydrogen 2.969 N/A LEU 258.A N LEU 256.A O no hydrogen 2.804 N/A GLU 261.A N ALA 198.A O no hydrogen 2.642 N/A TRP 262.A N ALA 198.A O no hydrogen 3.460 N/A TRP 262.A NE1 ALA 195.A O no hydrogen 2.941 N/A GLU 263.A N ASN 48.A O no hydrogen 2.915 N/A TRP 265.A N LEU 50.A O no hydrogen 2.897 N/A TRP 265.A NE1 GLU 263.A OE1 no hydrogen 3.282 N/A