Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4qe3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N LEU 1.A O no hydrogen 2.847 N/A GLU 4.A N PHE 21.A O no hydrogen 2.790 N/A LEU 6.A N VAL 19.A O no hydrogen 2.781 N/A VAL 8.A N ILE 17.A O no hydrogen 2.836 N/A SER 10.A N ARG 15.A O no hydrogen 2.841 N/A SER 10.A OG GLU 97.A OE1 no hydrogen 2.713 N/A SER 12.A N GLU 97.A OE2 no hydrogen 2.911 N/A SER 12.A OG SER 10.A OG no hydrogen 3.173 N/A SER 12.A OG GLU 97.A OE1 no hydrogen 3.263 N/A SER 12.A OG GLU 97.A OE2 no hydrogen 2.919 N/A MET 13.A N SER 10.A OG no hydrogen 3.064 N/A GLY 14.A N SER 10.A O no hydrogen 2.892 N/A ARG 15.A N SER 10.A O no hydrogen 3.361 N/A ARG 15.A NE MET 13.A O no hydrogen 3.013 N/A ARG 15.A NH2 ASN 85.A OD1 no hydrogen 3.441 N/A ILE 17.A N VAL 8.A O no hydrogen 2.785 N/A LYS 18.A NZ ASP 40.A O no hydrogen 2.846 N/A VAL 19.A N LEU 6.A O no hydrogen 2.898 N/A GLN 20.A N MET 63.A O no hydrogen 2.871 N/A GLN 20.A NE2 ASP 45.A OD1 no hydrogen 2.885 N/A PHE 21.A N GLU 4.A O no hydrogen 2.871 N/A GLN 22.A N VAL 61.A O no hydrogen 2.931 N/A GLN 22.A NE2 PHE 51.A O no hydrogen 2.963 N/A ALA 28.A N ASN 113.A OD1 no hydrogen 2.869 N/A VAL 29.A N SER 60.A O no hydrogen 2.851 N/A TYR 30.A N ALA 114.A O no hydrogen 2.761 N/A LEU 31.A N ILE 62.A O no hydrogen 2.800 N/A LEU 32.A N VAL 116.A O no hydrogen 2.845 N/A ASP 33.A N TYR 72.A OH no hydrogen 2.877 N/A GLY 34.A N ASP 33.A OD1 no hydrogen 2.760 N/A ARG 36.A NH1 ASP 163.A O no hydrogen 3.374 N/A ARG 36.A NH1 ASP 163.A OD2 no hydrogen 3.280 N/A ARG 36.A NH2 ASP 163.A OD2 no hydrogen 2.662 N/A ALA 37.A N GLY 34.A O no hydrogen 3.278 N/A GLN 38.A NE2 ASP 40.A OD2 no hydrogen 2.907 N/A TYR 41.A N ASP 40.A OD2 no hydrogen 2.800 N/A ASN 42.A N GLN 20.A OE1 no hydrogen 2.916 N/A ASN 42.A ND2 LEU 31.A O no hydrogen 3.055 N/A ASN 42.A ND2 PRO 64.A O no hydrogen 2.821 N/A GLY 43.A N ASP 33.A OD1 no hydrogen 3.263 N/A GLY 43.A N ASP 33.A OD2 no hydrogen 2.839 N/A TRP 44.A N ASN 42.A OD1 no hydrogen 2.821 N/A TRP 44.A NE1 LEU 32.A O no hydrogen 2.868 N/A ASP 45.A N ASN 42.A O no hydrogen 2.882 N/A ILE 46.A N ASN 42.A O no hydrogen 3.073 N/A ASN 47.A N GLY 43.A O no hydrogen 2.995 N/A ASN 47.A ND2 GLY 43.A O no hydrogen 2.990 N/A THR 48.A N TRP 44.A O no hydrogen 2.997 N/A THR 48.A OG1 TRP 44.A O no hydrogen 2.652 N/A ALA 50.A N THR 48.A OG1 no hydrogen 3.052 N/A GLU 53.A N PRO 49.A O no hydrogen 2.906 N/A TYR 54.A N ALA 50.A O no hydrogen 3.064 N/A TYR 54.A N PHE 51.A O no hydrogen 3.237 N/A TYR 54.A OH LEU 254.A O no hydrogen 2.737 N/A TYR 55.A N GLU 52.A O no hydrogen 3.268 N/A SER 57.A N TYR 54.A O no hydrogen 3.154 N/A SER 57.A OG TYR 54.A O no hydrogen 2.718 N/A LEU 59.A N SER 57.A OG no hydrogen 3.139 N/A SER 60.A N HIS 27.A O no hydrogen 2.867 N/A SER 60.A OG GLY 25.A O no hydrogen 2.675 N/A VAL 61.A N GLN 22.A O no hydrogen 2.805 N/A ILE 62.A N VAL 29.A O no hydrogen 2.887 N/A MET 63.A N GLN 20.A O no hydrogen 2.799 N/A VAL 65.A N LYS 18.A O no hydrogen 2.829 N/A GLN 68.A NE2 SER 164.A OG no hydrogen 2.940 N/A SER 69.A N LEU 35.A O no hydrogen 2.973 N/A SER 69.A OG MET 161.A O no hydrogen 3.554 N/A SER 69.A OG SER 164.A O no hydrogen 2.759 N/A SER 70.A N GLY 67.A O no hydrogen 2.977 N/A SER 70.A OG GLY 67.A O no hydrogen 2.812 N/A TYR 72.A N SER 70.A OG no hydrogen 2.992 N/A THR 73.A N SER 70.A O no hydrogen 3.292 N/A TRP 75.A N TYR 88.A O no hydrogen 2.885 N/A TRP 75.A NE1 SER 70.A O no hydrogen 2.927 N/A TYR 76.A N MET 172.A O no hydrogen 3.241 N/A TYR 76.A OH ASP 178.A OD1 no hydrogen 2.601 N/A GLN 77.A N SER 171.A O no hydrogen 3.102 N/A GLN 77.A NE2 SER 171.A OG no hydrogen 3.134 N/A SER 79.A N GLN 84.A OE1 no hydrogen 2.813 N/A SER 79.A OG SER 81.A OG no hydrogen 2.764 N/A GLN 80.A N SER 171.A OG no hydrogen 2.955 N/A SER 81.A OG GLY 166.A O no hydrogen 2.608 N/A ASN 82.A ND2 GLY 165.A O no hydrogen 2.897 N/A GLN 84.A N ASN 82.A OD1 no hydrogen 3.172 N/A TYR 88.A OH GLN 68.A O no hydrogen 2.758 N/A LYS 89.A NZ TRP 75.A O no hydrogen 2.885 N/A TRP 90.A N THR 73.A O no hydrogen 3.057 N/A THR 92.A N ASP 74.A OD1 no hydrogen 2.923 N/A THR 92.A OG1 ASP 74.A OD1 no hydrogen 3.564 N/A THR 92.A OG1 ASP 74.A OD2 no hydrogen 2.688 N/A PHE 93.A N LYS 89.A O no hydrogen 3.023 N/A LEU 94.A N TRP 90.A O no hydrogen 2.917 N/A THR 95.A N GLU 91.A O no hydrogen 2.986 N/A THR 95.A OG1 GLU 91.A O no hydrogen 2.709 N/A ARG 96.A N THR 92.A O no hydrogen 2.933 N/A ARG 96.A NE THR 95.A OG1 no hydrogen 2.998 N/A ARG 96.A NH2 THR 95.A OG1 no hydrogen 3.236 N/A GLU 97.A N THR 92.A O no hydrogen 3.201 N/A MET 98.A N PHE 93.A O no hydrogen 2.755 N/A ALA 100.A N ARG 96.A O no hydrogen 3.005 N/A TRP 101.A N GLU 97.A O no hydrogen 3.144 N/A LEU 102.A N MET 98.A O no hydrogen 2.957 N/A GLN 103.A N PRO 99.A O no hydrogen 2.876 N/A ALA 104.A N ALA 100.A O no hydrogen 2.989 N/A ASN 105.A N TRP 101.A O no hydrogen 2.998 N/A ASN 105.A ND2 TRP 101.A O no hydrogen 3.022 N/A LYS 106.A N LEU 102.A O no hydrogen 3.012 N/A LYS 106.A NZ GLU 4.A OE1 no hydrogen 2.715 N/A LYS 106.A NZ GLU 4.A OE2 no hydrogen 3.503 N/A GLY 107.A N GLN 103.A O no hydrogen 2.930 N/A VAL 108.A N LEU 102.A O no hydrogen 3.226 N/A SER 109.A N PRO 26.A O no hydrogen 2.776 N/A SER 109.A OG THR 111.A O no hydrogen 2.898 N/A THR 111.A N SER 109.A OG no hydrogen 3.158 N/A THR 111.A OG1 SER 109.A OG no hydrogen 3.308 N/A GLY 112.A N GLN 134.A O no hydrogen 2.967 N/A ASN 113.A N GLN 135.A O no hydrogen 2.920 N/A ASN 113.A ND2 SER 109.A O no hydrogen 2.948 N/A ALA 114.A N ALA 28.A O no hydrogen 2.970 N/A ALA 115.A N TYR 138.A O no hydrogen 3.015 N/A VAL 116.A N TYR 30.A O no hydrogen 2.884 N/A GLY 117.A N ALA 140.A O no hydrogen 2.983 N/A LEU 118.A N SER 121.A OG no hydrogen 2.952 N/A SER 119.A N LEU 142.A O no hydrogen 2.932 N/A SER 121.A N LEU 118.A O no hydrogen 2.895 N/A SER 121.A OG ASP 33.A O no hydrogen 2.686 N/A SER 121.A OG LEU 118.A O no hydrogen 3.073 N/A GLY 122.A N SER 119.A O no hydrogen 2.967 N/A SER 124.A OG PHE 71.A O no hydrogen 2.700 N/A SER 124.A OG MET 120.A O no hydrogen 3.440 N/A ALA 125.A N SER 121.A O no hydrogen 2.990 N/A LEU 126.A N GLY 122.A O no hydrogen 3.414 N/A ILE 127.A N GLY 123.A O no hydrogen 2.895 N/A LEU 128.A N SER 124.A O no hydrogen 2.828 N/A ALA 129.A N ALA 125.A O no hydrogen 3.137 N/A ALA 130.A N LEU 126.A O no hydrogen 2.866 N/A TYR 131.A N ILE 127.A O no hydrogen 3.024 N/A TYR 131.A OH ARG 183.A O no hydrogen 2.718 N/A TYR 132.A N LEU 128.A O no hydrogen 2.800 N/A TYR 132.A OH GLU 91.A OE1 no hydrogen 2.602 N/A GLN 135.A N TYR 132.A O no hydrogen 3.043 N/A GLN 135.A NE2 THR 95.A O no hydrogen 2.836 N/A PHE 136.A N TYR 132.A O no hydrogen 2.977 N/A TYR 138.A OH ASP 260.A OD2 no hydrogen 2.727 N/A ALA 139.A N ARG 199.A O no hydrogen 2.911 N/A ALA 140.A N ALA 115.A O no hydrogen 2.808 N/A SER 141.A N TRP 201.A O no hydrogen 2.841 N/A LEU 142.A N GLY 117.A O no hydrogen 2.858 N/A SER 143.A N TYR 203.A O no hydrogen 2.871 N/A SER 143.A OG GLN 245.A OE1 no hydrogen 2.733 N/A SER 149.A N ASP 185.A OD2 no hydrogen 2.915 N/A SER 149.A OG ASP 185.A OD2 no hydrogen 2.624 N/A GLU 150.A N ASN 147.A O no hydrogen 3.114 N/A TRP 153.A N GLU 150.A O no hydrogen 2.951 N/A TRP 153.A NE1 THR 219.A OG1 no hydrogen 2.889 N/A LEU 156.A N TRP 152.A O no hydrogen 2.986 N/A ILE 157.A N TRP 153.A O no hydrogen 2.780 N/A GLY 158.A N PRO 154.A O no hydrogen 3.025 N/A LEU 159.A N THR 155.A O no hydrogen 2.925 N/A ALA 160.A N LEU 156.A O no hydrogen 2.959 N/A MET 161.A N ILE 157.A O no hydrogen 2.893 N/A ASN 162.A N GLY 158.A O no hydrogen 3.040 N/A ASP 163.A N LEU 159.A O no hydrogen 2.951 N/A SER 164.A N ALA 160.A O no hydrogen 2.948 N/A SER 164.A N MET 161.A O no hydrogen 3.257 N/A SER 164.A OG LEU 35.A O no hydrogen 3.013 N/A SER 164.A OG SER 69.A OG no hydrogen 3.202 N/A GLY 166.A N ASN 162.A O no hydrogen 2.849 N/A TYR 167.A N MET 161.A O no hydrogen 3.077 N/A ASN 168.A N SER 79.A OG no hydrogen 2.918 N/A ASN 168.A ND2 GLN 80.A O no hydrogen 3.118 N/A ASN 170.A N ASN 168.A OD1 no hydrogen 2.874 N/A SER 171.A N ASN 168.A O no hydrogen 2.971 N/A SER 171.A OG PRO 78.A O no hydrogen 3.325 N/A MET 172.A N ALA 169.A O no hydrogen 3.060 N/A TRP 173.A N ALA 169.A O no hydrogen 3.076 N/A TRP 173.A NE1 THR 73.A OG1 no hydrogen 3.110 N/A GLY 174.A N ASN 170.A O no hydrogen 2.935 N/A ASP 178.A N PRO 175.A O no hydrogen 2.814 N/A ALA 180.A N ASP 178.A OD1 no hydrogen 2.935 N/A TRP 181.A N ASP 178.A O no hydrogen 3.171 N/A TRP 181.A NE1 GLY 174.A O no hydrogen 2.910 N/A ARG 183.A N PRO 179.A O no hydrogen 2.975 N/A ARG 183.A NH1 GLU 91.A OE1 no hydrogen 3.474 N/A ARG 183.A NH1 GLU 91.A OE2 no hydrogen 2.907 N/A ARG 183.A NH1 ASN 184.A OD1 no hydrogen 2.845 N/A ARG 183.A NH2 GLU 91.A OE1 no hydrogen 2.909 N/A ASN 184.A N ALA 180.A O no hydrogen 3.127 N/A ASN 184.A ND2 ALA 180.A O no hydrogen 2.868 N/A ASP 185.A N LYS 182.A O no hydrogen 3.177 N/A MET 187.A N LEU 146.A O no hydrogen 2.965 N/A VAL 188.A N ASP 185.A OD1 no hydrogen 3.118 N/A GLN 189.A N ASP 185.A O no hydrogen 2.957 N/A GLN 189.A NE2 LYS 182.A O no hydrogen 2.964 N/A ILE 190.A N MET 187.A O no hydrogen 3.260 N/A ARG 192.A N GLN 189.A O no hydrogen 2.915 N/A ARG 192.A NE GLN 189.A OE1 no hydrogen 2.889 N/A LEU 193.A N GLN 189.A O no hydrogen 3.225 N/A VAL 194.A N ILE 190.A O no hydrogen 2.895 N/A ALA 195.A N PRO 191.A O no hydrogen 2.873 N/A ASN 196.A N ARG 192.A O no hydrogen 2.824 N/A ASN 196.A ND2 ALA 129.A O no hydrogen 3.148 N/A ASN 196.A ND2 ALA 130.A O no hydrogen 3.036 N/A ASN 197.A N VAL 194.A O no hydrogen 2.981 N/A THR 198.A N LEU 193.A O no hydrogen 3.066 N/A THR 198.A OG1 LEU 193.A O no hydrogen 3.518 N/A ARG 199.A N PRO 137.A O no hydrogen 2.903 N/A ARG 199.A NE ASP 260.A OD2 no hydrogen 2.955 N/A ARG 199.A NH1 ASN 234.A OD1 no hydrogen 3.186 N/A ARG 199.A NH2 ASP 260.A OD1 no hydrogen 2.851 N/A ARG 199.A NH2 ASP 260.A OD2 no hydrogen 3.493 N/A ILE 200.A N ASN 234.A O no hydrogen 3.060 N/A TRP 201.A N ALA 139.A O no hydrogen 2.938 N/A TRP 201.A NE1 GLN 253.A OE1 no hydrogen 2.841 N/A VAL 202.A N VAL 236.A O no hydrogen 2.804 N/A TYR 203.A N SER 141.A O no hydrogen 2.935 N/A TYR 203.A OH THR 244.A O no hydrogen 2.700 N/A CYS 204.A N ASN 238.A O no hydrogen 3.097 N/A CYS 204.A SG GLY 205.A O no hydrogen 3.403 N/A CYS 204.A SG GLN 245.A OE1 no hydrogen 3.628 N/A GLY 205.A N GLN 245.A OE1 no hydrogen 2.949 N/A ASN 206.A N GLY 243.A O no hydrogen 2.958 N/A LEU 212.A N PRO 208.A O no hydrogen 3.236 N/A GLU 213.A N ALA 209.A O no hydrogen 2.865 N/A GLY 214.A N LYS 210.A O no hydrogen 3.060 N/A LEU 215.A N PHE 211.A O no hydrogen 3.060 N/A THR 216.A N LEU 212.A O no hydrogen 2.986 N/A THR 216.A OG1 LEU 212.A O no hydrogen 2.867 N/A LEU 217.A N GLU 213.A O no hydrogen 2.919 N/A ARG 218.A N GLY 214.A O no hydrogen 3.068 N/A THR 219.A N LEU 215.A O no hydrogen 2.987 N/A THR 219.A OG1 LEU 215.A O no hydrogen 3.243 N/A ASN 220.A N THR 216.A O no hydrogen 2.950 N/A GLN 221.A N LEU 217.A O no hydrogen 2.991 N/A THR 222.A N ARG 218.A O no hydrogen 2.944 N/A THR 222.A OG1 ARG 218.A O no hydrogen 2.902 N/A PHE 223.A N THR 219.A O no hydrogen 2.914 N/A ARG 224.A N ASN 220.A O no hydrogen 3.123 N/A ASP 225.A N GLN 221.A O no hydrogen 2.952 N/A THR 226.A N THR 222.A O no hydrogen 2.866 N/A THR 226.A OG1 THR 222.A O no hydrogen 2.673 N/A TYR 227.A N PHE 223.A O no hydrogen 2.884 N/A ALA 228.A N ARG 224.A O no hydrogen 3.213 N/A ALA 229.A N ASP 225.A O no hydrogen 2.871 N/A ASP 230.A N THR 226.A O no hydrogen 2.915 N/A GLY 231.A N ALA 228.A O no hydrogen 3.082 N/A GLY 232.A N TYR 227.A O no hydrogen 2.826 N/A ASN 234.A N TYR 227.A OH no hydrogen 2.955 N/A ASN 234.A ND2 ASN 197.A O no hydrogen 3.028 N/A VAL 236.A N ILE 200.A O no hydrogen 2.816 N/A ASN 238.A N VAL 202.A O no hydrogen 2.830 N/A ASN 238.A ND2 GLN 253.A OE1 no hydrogen 2.993 N/A GLY 243.A N PRO 240.A O no hydrogen 3.005 N/A THR 244.A OG1 SER 246.A OG no hydrogen 2.774 N/A GLN 245.A NE2 ASN 206.A O no hydrogen 3.698 N/A SER 246.A OG THR 244.A OG1 no hydrogen 2.774 N/A TYR 249.A OH ASN 242.A OD1 no hydrogen 2.915 N/A TRP 250.A N SER 246.A O no hydrogen 2.915 N/A TRP 250.A NE1 SER 143.A OG no hydrogen 2.917 N/A ASN 251.A N TRP 247.A O no hydrogen 2.817 N/A ASN 251.A ND2 GLU 53.A OE1 no hydrogen 3.393 N/A ASN 251.A ND2 GLU 53.A OE2 no hydrogen 2.578 N/A GLU 252.A N PRO 248.A O no hydrogen 3.060 N/A GLN 253.A N TYR 249.A O no hydrogen 2.992 N/A GLN 253.A NE2 GLU 252.A OE1.A no hydrogen 2.852 N/A LEU 254.A N TRP 250.A O no hydrogen 2.946 N/A VAL 255.A N ASN 251.A O no hydrogen 2.889 N/A ALA 256.A N GLU 252.A O no hydrogen 2.920 N/A MET 257.A N GLN 253.A O no hydrogen 2.927 N/A LYS 258.A N VAL 255.A O no hydrogen 3.141 N/A ILE 261.A N MET 257.A O no hydrogen 2.838 N/A GLN 262.A N LYS 258.A O no hydrogen 2.866 N/A GLN 262.A NE2 SER 57.A O no hydrogen 2.884 N/A HIS 263.A N ALA 259.A O no hydrogen 3.023 N/A HIS 263.A ND1 ALA 259.A O no hydrogen 2.920 N/A VAL 264.A N ASP 260.A O no hydrogen 3.061 N/A LEU 265.A N ILE 261.A O no hydrogen 2.841 N/A ASN 266.A N GLN 262.A O no hydrogen 2.872 N/A ASN 266.A ND2 GLY 58.A O no hydrogen 3.267 N/A