Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4q3a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.A N ASP 8.A OD2 no hydrogen 2.933 N/A THR 5.A OG1 ASP 8.A OD2 no hydrogen 3.226 N/A ASP 8.A N THR 5.A O no hydrogen 3.091 N/A LEU 9.A N PRO 6.A O no hydrogen 3.053 N/A MET 14.A N ASN 11.A O no hydrogen 3.035 N/A GLN 15.A N ASN 11.A O no hydrogen 3.111 N/A GLN 15.A NE2 ASP 8.A O no hydrogen 3.084 N/A GLN 15.A NE2 ILE 10.A O no hydrogen 2.875 N/A LEU 16.A N ILE 12.A O no hydrogen 2.827 N/A GLN 17.A N ASN 13.A O no hydrogen 2.923 N/A LYS 18.A N MET 14.A O no hydrogen 2.863 N/A ALA 19.A N GLN 15.A O no hydrogen 2.942 N/A ASP 20.A N LEU 16.A O no hydrogen 2.806 N/A SER 21.A N GLN 17.A O no hydrogen 3.013 N/A SER 21.A OG GLN 17.A O no hydrogen 3.197 N/A ALA 22.A N LYS 18.A O no hydrogen 3.129 N/A VAL 23.A N ALA 19.A O no hydrogen 2.891 N/A GLN 24.A N ASP 20.A O no hydrogen 2.948 N/A GLU 25.A N SER 21.A O no hydrogen 2.929 N/A VAL 26.A N ALA 22.A O no hydrogen 2.955 N/A THR 27.A N VAL 23.A O no hydrogen 2.877 N/A THR 27.A OG1 VAL 23.A O no hydrogen 2.889 N/A GLY 28.A N GLN 24.A O no hydrogen 2.880 N/A LEU 29.A N THR 27.A OG1 no hydrogen 3.058 N/A ILE 31.A N ASP 20.A OD1 no hydrogen 2.820 N/A GLY 33.A N ASP 30.A OD1 no hydrogen 2.824 N/A ILE 34.A N ASP 30.A O no hydrogen 3.005 N/A CYS 35.A N ILE 31.A O no hydrogen 3.016 N/A CYS 35.A SG ILE 31.A O no hydrogen 3.536 N/A LYS 36.A N LYS 32.A O no hydrogen 2.916 N/A ALA 37.A N GLY 33.A O no hydrogen 2.997 N/A LEU 38.A N ILE 34.A O no hydrogen 2.890 N/A TYR 39.A N CYS 35.A O no hydrogen 2.924 N/A TYR 39.A OH SER 253.A OG no hydrogen 2.664 N/A GLY 40.A N LYS 36.A O no hydrogen 2.675 N/A THR 41.A OG1 TYR 256.A O no hydrogen 2.730 N/A SER 43.A OG PHE 74.A O no hydrogen 2.727 N/A SER 44.A N GLU 46.A OE1 no hydrogen 2.832 N/A GLU 46.A N GLU 46.A OE1 no hydrogen 2.791 N/A LYS 47.A N GLU 98.A OE2 no hydrogen 2.795 N/A LYS 47.A NZ ASN 95.A O no hydrogen 2.744 N/A VAL 48.A N ASP 77.A O no hydrogen 2.937 N/A GLY 49.A N ILE 99.A O no hydrogen 2.847 N/A ILE 50.A N PHE 79.A O no hydrogen 2.728 N/A VAL 51.A N LEU 101.A O no hydrogen 3.025 N/A THR 54.A N ASP 85.A OD1 no hydrogen 2.817 N/A THR 54.A OG1 ASP 85.A OD1 no hydrogen 3.300 N/A THR 54.A OG1 ASP 85.A OD2 no hydrogen 2.597 N/A ASN 57.A N ASP 105.A OD2 no hydrogen 2.736 N/A GLY 58.A N SER 55.A O no hydrogen 2.924 N/A ASN 62.A ND2 PRO 6.A O no hydrogen 2.971 N/A PHE 63.A N ILE 60.A O no hydrogen 3.095 N/A SER 66.A N ASN 62.A O no hydrogen 2.844 N/A SER 66.A OG ASN 62.A O no hydrogen 2.491 N/A LEU 67.A N PHE 63.A O no hydrogen 3.070 N/A HIS 68.A N SER 64.A O no hydrogen 2.882 N/A ALA 69.A N ALA 65.A O no hydrogen 3.070 N/A ILE 70.A N SER 66.A O no hydrogen 2.835 N/A THR 71.A N LEU 67.A O no hydrogen 2.953 N/A THR 71.A OG1 LEU 67.A O no hydrogen 2.655 N/A THR 71.A OG1 HIS 68.A O no hydrogen 3.079 N/A THR 71.A OG1 SER 78.A OG no hydrogen 2.675 N/A GLN 72.A N HIS 68.A O no hydrogen 3.354 N/A GLN 72.A NE2 SER 78.A O no hydrogen 3.507 N/A GLN 72.A NE2 SER 78.A OG no hydrogen 3.231 N/A TYR 73.A N ALA 69.A O no hydrogen 2.904 N/A TYR 73.A OH ASP 20.A OD2 no hydrogen 2.657 N/A PHE 74.A N ILE 70.A O no hydrogen 3.180 N/A PHE 74.A N THR 71.A O no hydrogen 3.265 N/A GLY 75.A N GLN 72.A O no hydrogen 2.985 N/A PHE 76.A N THR 71.A O no hydrogen 2.905 N/A ASP 77.A N GLU 46.A O no hydrogen 2.968 N/A SER 78.A OG HIS 68.A O no hydrogen 3.331 N/A SER 78.A OG THR 71.A OG1 no hydrogen 2.675 N/A PHE 79.A N VAL 48.A O no hydrogen 2.943 N/A THR 81.A N ILE 50.A O no hydrogen 3.021 N/A THR 81.A OG1 ILE 50.A O no hydrogen 3.522 N/A THR 81.A OG1 MET 83.A O no hydrogen 2.762 N/A ASP 82.A N GLU 91.A OE1 no hydrogen 2.787 N/A MET 83.A N GLU 91.A OE2 no hydrogen 3.092 N/A ASP 85.A N PRO 52.A O no hydrogen 2.877 N/A GLY 88.A N PRO 84.A O no hydrogen 2.856 N/A TYR 89.A N ASP 85.A O no hydrogen 3.012 N/A TYR 90.A N VAL 86.A O no hydrogen 2.977 N/A GLU 91.A N SER 87.A O no hydrogen 2.977 N/A ALA 92.A N GLY 88.A O no hydrogen 2.803 N/A VAL 93.A N TYR 89.A O no hydrogen 3.051 N/A GLN 94.A N TYR 90.A O no hydrogen 2.837 N/A ASN 95.A N GLU 91.A O no hydrogen 2.879 N/A ASN 95.A ND2 GLU 91.A O no hydrogen 2.844 N/A GLY 96.A N VAL 93.A O no hydrogen 3.074 N/A ALA 97.A N ALA 92.A O no hydrogen 3.117 N/A GLU 98.A N LYS 47.A O no hydrogen 2.806 N/A ILE 99.A N LYS 47.A O no hydrogen 3.091 N/A ILE 100.A N HIS 111.A O no hydrogen 2.878 N/A LEU 101.A N GLY 49.A O no hydrogen 2.973 N/A MET 102.A N LEU 109.A O no hydrogen 3.211 N/A ASP 104.A N THR 107.A O no hydrogen 2.793 N/A ARG 106.A N ASP 104.A OD1 no hydrogen 3.022 N/A THR 107.A N ASP 104.A OD1 no hydrogen 2.865 N/A LEU 109.A N MET 102.A O no hydrogen 2.931 N/A ALA 110.A N ALA 119.A O no hydrogen 3.084 N/A HIS 111.A N ILE 100.A O no hydrogen 2.889 N/A ASN 112.A N LYS 117.A O no hydrogen 2.866 N/A ASN 112.A ND2 VAL 258.A O no hydrogen 2.870 N/A LEU 113.A N GLU 98.A O no hydrogen 2.675 N/A LYS 114.A N ASN 112.A OD1 no hydrogen 2.854 N/A LYS 114.A NZ GLU 98.A OE1 no hydrogen 3.122 N/A ASN 115.A N ASN 112.A OD1 no hydrogen 3.352 N/A ASN 115.A ND2 VAL 258.A O no hydrogen 2.914 N/A GLY 116.A N ASN 112.A O no hydrogen 2.852 N/A LYS 117.A N ASN 115.A OD1 no hydrogen 2.850 N/A LYS 117.A NZ LEU 259.A O no hydrogen 3.225 N/A ALA 119.A N ALA 110.A O no hydrogen 2.886 N/A ASN 121.A N PHE 108.A O no hydrogen 2.829 N/A GLN 122.A N ASN 120.A OD1 no hydrogen 2.978 N/A GLN 122.A NE2 ASN 120.A OD1 no hydrogen 3.522 N/A CYS 124.A N ASN 120.A O no hydrogen 3.269 N/A CYS 124.A SG ASN 120.A O no hydrogen 3.442 N/A THR 125.A N ASN 121.A O no hydrogen 2.812 N/A THR 125.A OG1 ASN 121.A O no hydrogen 2.653 N/A GLY 126.A N GLN 122.A O no hydrogen 3.079 N/A ILE 127.A N PRO 123.A O no hydrogen 2.873 N/A ILE 128.A N CYS 124.A O no hydrogen 3.146 N/A TYR 129.A N THR 125.A O no hydrogen 3.199 N/A ALA 130.A N GLY 126.A O no hydrogen 2.978 N/A GLU 131.A N ILE 127.A O no hydrogen 2.789 N/A ILE 132.A N ILE 128.A O no hydrogen 2.941 N/A ALA 133.A N TYR 129.A O no hydrogen 3.202 N/A SER 134.A N ALA 130.A O no hydrogen 2.910 N/A SER 134.A OG GLU 131.A O no hydrogen 2.642 N/A ARG 135.A N ILE 132.A O no hydrogen 3.058 N/A ARG 135.A NH2 GLU 131.A OE1 no hydrogen 3.341 N/A TYR 136.A N ALA 133.A O no hydrogen 3.230 N/A LEU 137.A N VAL 26.A O no hydrogen 3.006 N/A ALA 139.A N TYR 136.A O no hydrogen 3.254 N/A ASP 143.A N SER 141.A OG no hydrogen 3.064 N/A VAL 144.A N ARG 166.A O no hydrogen 2.985 N/A LEU 145.A N ILE 199.A O no hydrogen 3.103 N/A VAL 146.A N TYR 168.A O no hydrogen 2.789 N/A VAL 147.A N PHE 201.A O no hydrogen 2.945 N/A GLY 148.A N TYR 170.A O no hydrogen 2.842 N/A LEU 149.A N ASP 171.A OD2 no hydrogen 2.836 N/A PHE 154.A N GLY 150.A O no hydrogen 2.778 N/A GLY 156.A N VAL 152.A O no hydrogen 3.301 N/A ALA 157.A N GLY 153.A O no hydrogen 2.953 N/A GLU 158.A N PHE 154.A O no hydrogen 2.958 N/A HIS 159.A N PRO 155.A O no hydrogen 2.890 N/A HIS 159.A NE2 GLU 131.A OE2 no hydrogen 2.619 N/A LEU 160.A N GLY 156.A O no hydrogen 3.033 N/A VAL 161.A N ALA 157.A O no hydrogen 2.946 N/A GLN 162.A N GLU 158.A O no hydrogen 2.899 N/A LYS 163.A N HIS 159.A O no hydrogen 2.927 N/A LYS 163.A NZ GLU 131.A OE1 no hydrogen 3.091 N/A LYS 163.A NZ GLU 131.A OE2 no hydrogen 3.171 N/A LYS 163.A NZ SER 134.A OG no hydrogen 3.093 N/A ASP 164.A N VAL 161.A O no hydrogen 3.052 N/A PHE 165.A N LEU 160.A O no hydrogen 3.039 N/A ARG 166.A N LYS 142.A O no hydrogen 2.758 N/A ARG 166.A NE TYR 168.A OH no hydrogen 3.182 N/A TYR 168.A N VAL 144.A O no hydrogen 2.838 N/A GLY 169.A N ILE 187.A O no hydrogen 2.858 N/A TYR 170.A N VAL 146.A O no hydrogen 2.908 N/A ASP 173.A N ASP 171.A OD1 no hydrogen 2.854 N/A THR 175.A N ASP 173.A OD1 no hydrogen 2.749 N/A LEU 176.A N ASP 173.A OD1 no hydrogen 3.349 N/A LEU 177.A N ASP 173.A O no hydrogen 3.087 N/A GLU 178.A N GLU 174.A O no hydrogen 2.880 N/A ARG 179.A N THR 175.A O no hydrogen 2.927 N/A ALA 180.A N LEU 176.A O no hydrogen 3.021 N/A THR 181.A N LEU 177.A O no hydrogen 3.019 N/A THR 181.A OG1 LEU 177.A O no hydrogen 3.344 N/A THR 181.A OG1 GLU 178.A O no hydrogen 2.859 N/A SER 182.A N GLU 178.A O no hydrogen 3.024 N/A SER 182.A OG GLU 178.A O no hydrogen 2.939 N/A SER 182.A OG GLU 178.A OE1 no hydrogen 3.451 N/A ASN 183.A N ARG 179.A O no hydrogen 3.080 N/A ASN 183.A ND2 ARG 179.A O no hydrogen 3.062 N/A LEU 184.A N ALA 180.A O no hydrogen 2.823 N/A GLY 185.A N THR 181.A O no hydrogen 2.967 N/A ILE 187.A N VAL 167.A O no hydrogen 2.950 N/A PHE 189.A N GLY 169.A O no hydrogen 2.722 N/A ALA 192.A N ASP 190.A OD1 no hydrogen 3.184 N/A ASN 193.A N ASP 190.A O no hydrogen 2.815 N/A LYS 195.A NZ ASP 143.A OD2 no hydrogen 2.609 N/A LYS 195.A NZ TYR 168.A OH no hydrogen 3.489 N/A PHE 197.A N VAL 214.A O no hydrogen 2.845 N/A SER 198.A OG ALA 139.A O no hydrogen 2.928 N/A ILE 200.A N VAL 220.A O no hydrogen 2.890 N/A PHE 201.A N LEU 145.A O no hydrogen 2.796 N/A GLU 202.A N SER 222.A O no hydrogen 3.114 N/A ALA 203.A N VAL 147.A O no hydrogen 2.871 N/A THR 204.A N GLU 202.A OE2 no hydrogen 3.126 N/A THR 204.A OG1 GLU 202.A OE1 no hydrogen 2.624 N/A CYS 206.A N THR 204.A OG1 no hydrogen 3.028 N/A THR 209.A N ALA 229.A O no hydrogen 2.907 N/A THR 209.A OG1 GLU 202.A OE1 no hydrogen 2.578 N/A ILE 210.A N ALA 229.A O no hydrogen 3.398 N/A VAL 214.A N PRO 211.A O no hydrogen 3.096 N/A LEU 215.A N GLU 212.A O no hydrogen 3.017 N/A SER 216.A OG PHE 197.A O no hydrogen 2.969 N/A ASN 218.A N TYR 238.A O no hydrogen 2.751 N/A CYS 219.A N SER 216.A O no hydrogen 3.175 N/A CYS 219.A SG SER 216.A O no hydrogen 3.145 N/A VAL 220.A N SER 198.A O no hydrogen 2.953 N/A LEU 221.A N GLN 241.A O no hydrogen 2.962 N/A SER 222.A N ILE 200.A O no hydrogen 2.838 N/A SER 222.A OG TYR 129.A O no hydrogen 2.732 N/A THR 223.A N ILE 243.A O no hydrogen 2.797 N/A THR 223.A OG1 GLU 202.A O no hydrogen 2.692 N/A THR 223.A OG1 GLU 202.A OE2 no hydrogen 2.944 N/A GLY 225.A N THR 223.A OG1 no hydrogen 3.123 N/A CYS 228.A SG ILE 230.A O no hydrogen 3.722 N/A LEU 234.A N SER 231.A OG no hydrogen 3.189 N/A ARG 235.A N SER 231.A O no hydrogen 3.095 N/A ARG 235.A NH2 GLU 232.A OE1 no hydrogen 3.292 N/A ASP 236.A N GLU 232.A O no hydrogen 2.880 N/A LYS 237.A N GLU 233.A O no hydrogen 2.876 N/A LYS 237.A NZ GLU 212.A OE1 no hydrogen 2.862 N/A TYR 238.A N LEU 234.A O no hydrogen 3.107 N/A TYR 238.A OH GLU 212.A OE1 no hydrogen 2.611 N/A GLU 239.A N ASP 236.A O no hydrogen 3.247 N/A VAL 240.A N ARG 235.A O no hydrogen 2.932 N/A GLN 241.A N CYS 219.A O no hydrogen 2.892 N/A GLN 241.A NE2 ASN 218.A O no hydrogen 2.762 N/A ILE 243.A N LEU 221.A O no hydrogen 2.977 N/A LEU 247.A N GLU 245.A OE1 no hydrogen 3.134 N/A LEU 247.A N GLU 245.A OE2 no hydrogen 3.210 N/A GLY 248.A N GLU 245.A OE1 no hydrogen 2.713 N/A ILE 249.A N GLU 245.A OE2 no hydrogen 2.997 N/A THR 251.A N LEU 247.A O no hydrogen 3.006 N/A THR 251.A OG1 LEU 247.A O no hydrogen 2.679 N/A ALA 252.A N GLY 248.A O no hydrogen 2.921 N/A SER 253.A N ILE 249.A O no hydrogen 2.971 N/A SER 253.A OG TYR 39.A OH no hydrogen 2.664 N/A SER 253.A OG CYS 124.A O no hydrogen 2.817 N/A MET 254.A N GLY 250.A O no hydrogen 3.058 N/A LEU 255.A N THR 251.A O no hydrogen 3.006 N/A TYR 256.A N ALA 252.A O no hydrogen 2.960 N/A SER 257.A N SER 253.A O no hydrogen 3.023 N/A SER 257.A OG SER 253.A O no hydrogen 3.222 N/A SER 257.A OG MET 254.A O no hydrogen 2.739 N/A VAL 258.A N MET 254.A O no hydrogen 3.285 N/A VAL 258.A N LEU 255.A O no hydrogen 3.220 N/A