Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mwq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 6.A N THR 3.A OG1 no hydrogen 3.175 N/A LYS 7.A N THR 3.A O no hydrogen 2.941 N/A PHE 8.A N ALA 4.A O no hydrogen 2.925 N/A GLU 9.A N ALA 5.A O no hydrogen 3.122 N/A ARG 10.A N ALA 6.A O no hydrogen 3.002 N/A ARG 10.A NE GLU 2.A OE2 no hydrogen 2.761 N/A ARG 10.A NH1 ARG 33.A O no hydrogen 2.853 N/A ARG 10.A NH2 GLU 2.A OE1 no hydrogen 2.989 N/A GLN 11.A N LYS 7.A O no hydrogen 2.831 N/A HIS 12.A N PHE 8.A O no hydrogen 2.808 N/A HIS 12.A ND1 THR 45.A O no hydrogen 2.822 N/A MET 13.A N GLU 9.A O no hydrogen 3.162 N/A ASP 14.A N VAL 47.A O no hydrogen 2.952 N/A SER 15.A OG GLU 49.A O no hydrogen 2.593 N/A THR 17.A OG1 ASP 14.A OD2 no hydrogen 3.237 N/A THR 17.A OG1 HIS 48.A ND1 no hydrogen 2.850 N/A ALA 20.A N GLN 101.A OE1 no hydrogen 2.622 N/A ASN 24.A N SER 22.A OG no hydrogen 2.932 N/A TYR 25.A N SER 22.A O no hydrogen 3.195 N/A TYR 25.A OH ASP 14.A OD2 no hydrogen 2.412 N/A CYS 26.A N THR 99.A OG1 no hydrogen 3.092 N/A CYS 26.A SG ASP 83.A O no hydrogen 3.682 N/A CYS 26.A SG LYS 98.A O no hydrogen 3.915 N/A CYS 26.A SG THR 99.A OG1 no hydrogen 3.188 N/A ASN 27.A ND2 ASN 24.A OD1 no hydrogen 3.363 N/A GLN 28.A N ASN 24.A O no hydrogen 3.040 N/A MET 29.A N TYR 25.A O no hydrogen 2.779 N/A MET 30.A N CYS 26.A O no hydrogen 2.837 N/A SER 32.A N GLN 28.A O no hydrogen 2.936 N/A SER 32.A OG GLN 28.A O no hydrogen 3.089 N/A SER 32.A OG MET 29.A O no hydrogen 3.279 N/A ARG 33.A N MET 29.A O no hydrogen 3.007 N/A ARG 33.A NH1 ARG 10.A O no hydrogen 2.883 N/A ARG 33.A NH1 MET 13.A O no hydrogen 2.726 N/A ARG 33.A NH2 MET 13.A O no hydrogen 3.031 N/A ASN 34.A N LYS 31.A O no hydrogen 3.076 N/A LEU 35.A N MET 30.A O no hydrogen 2.852 N/A LYS 41.A N LEU 35.A O no hydrogen 3.256 N/A LYS 41.A NZ VAL 43.A O no hydrogen 3.046 N/A LYS 41.A NZ ASN 44.A OD1 no hydrogen 2.864 N/A ASN 44.A N CYS 84.A O no hydrogen 3.034 N/A ASN 44.A ND2 GLN 11.A O no hydrogen 2.790 N/A THR 45.A OG1 ASP 83.A OD1 no hydrogen 2.729 N/A PHE 46.A N THR 82.A O no hydrogen 2.897 N/A VAL 47.A N HIS 12.A O no hydrogen 2.713 N/A HIS 48.A N SER 80.A O no hydrogen 2.789 N/A HIS 48.A ND1 THR 17.A O no hydrogen 2.918 N/A HIS 48.A NE2 THR 82.A OG1 no hydrogen 2.622 N/A ASP 53.A N SER 50.A OG no hydrogen 2.949 N/A VAL 54.A N SER 50.A O no hydrogen 3.076 N/A GLN 55.A N LEU 51.A O no hydrogen 2.813 N/A ALA 56.A N ALA 52.A O no hydrogen 2.951 N/A VAL 57.A N VAL 54.A O no hydrogen 2.975 N/A CYS 58.A N GLN 55.A O no hydrogen 2.953 N/A CYS 58.A SG TYR 115.A O no hydrogen 3.977 N/A SER 59.A N.A ALA 56.A O no hydrogen 2.994 N/A SER 59.A N.B ALA 56.A O no hydrogen 3.000 N/A SER 59.A OG.A ALA 56.A O no hydrogen 2.995 N/A GLN 60.A N VAL 57.A O no hydrogen 2.911 N/A LYS 61.A N GLN 74.A O no hydrogen 3.123 N/A LYS 61.A NZ SER 131.A O no hydrogen 2.954 N/A LYS 61.A NZ LYS 133.A O no hydrogen 3.365 N/A ASN 62.A ND2 THR 70.A O no hydrogen 2.915 N/A ASN 62.A ND2 CYS 72.A O no hydrogen 2.870 N/A VAL 63.A N CYS 72.A O no hydrogen 2.841 N/A CYS 65.A N GLN 69.A O no hydrogen 2.844 N/A LYS 66.A N ASP 121.A OD1 no hydrogen 2.836 N/A LYS 66.A NZ ASP 121.A O no hydrogen 3.002 N/A GLY 68.A N CYS 65.A O no hydrogen 2.871 N/A GLN 69.A N ASN 67.A OD1 no hydrogen 2.832 N/A TYR 73.A N VAL 108.A O no hydrogen 2.836 N/A TYR 73.A OH TYR 115.A OH no hydrogen 2.784 N/A GLN 74.A N LYS 61.A O no hydrogen 2.692 N/A SER 75.A N ILE 106.A O no hydrogen 2.893 N/A SER 75.A OG SER 77.A O.A no hydrogen 2.781 N/A SER 75.A OG SER 77.A O.B no hydrogen 2.657 N/A TYR 76.A N GLN 60.A OE1 no hydrogen 2.823 N/A MET 79.A N LYS 104.A O no hydrogen 2.753 N/A SER 80.A N GLU 49.A OE2 no hydrogen 2.881 N/A SER 80.A OG SER 18.A O no hydrogen 2.800 N/A ILE 81.A N ALA 102.A O no hydrogen 2.953 N/A THR 82.A N PHE 46.A O no hydrogen 2.900 N/A THR 82.A OG1 HIS 48.A NE2 no hydrogen 2.622 N/A THR 82.A OG1 GLN 101.A OE1 no hydrogen 2.631 N/A ASP 83.A N THR 100.A O no hydrogen 2.837 N/A CYS 84.A N ASN 44.A O no hydrogen 2.771 N/A ARG 85.A N LYS 98.A O no hydrogen 3.157 N/A GLU 86.A N PRO 42.A O no hydrogen 2.820 N/A THR 87.A N ALA 96.A O no hydrogen 2.899 N/A THR 87.A OG1 SER 89.A OG no hydrogen 3.320 N/A THR 87.A OG1 ALA 96.A O no hydrogen 3.554 N/A SER 89.A OG THR 87.A OG1 no hydrogen 3.320 N/A SER 90.A N THR 87.A O no hydrogen 3.175 N/A SER 90.A OG GLU 86.A OE2 no hydrogen 2.792 N/A TYR 92.A OH LYS 37.A O no hydrogen 2.637 N/A CYS 95.A N PRO 93.A O no hydrogen 2.814 N/A CYS 95.A SG PRO 93.A O no hydrogen 3.614 N/A ALA 96.A N SER 90.A OG no hydrogen 2.798 N/A TYR 97.A N ASN 27.A OD1 no hydrogen 2.567 N/A TYR 97.A OH LYS 41.A O no hydrogen 2.568 N/A LYS 98.A N ARG 85.A O no hydrogen 2.774 N/A THR 99.A OG1 SER 23.A O no hydrogen 3.325 N/A THR 100.A N ASP 83.A O no hydrogen 3.020 N/A ALA 102.A N ILE 81.A O no hydrogen 3.039 N/A LYS 104.A N MET 79.A O no hydrogen 3.072 N/A LYS 104.A NZ SER 123.A O no hydrogen 3.399 N/A LYS 104.A NZ SER 123.A OG no hydrogen 2.973 N/A HIS 105.A N VAL 124.A O no hydrogen 2.790 N/A HIS 105.A ND1 SER 75.A O no hydrogen 2.906 N/A ILE 106.A N SER 75.A OG no hydrogen 2.954 N/A ILE 107.A N ALA 122.A O no hydrogen 2.810 N/A VAL 108.A N TYR 73.A O no hydrogen 2.966 N/A ALA 109.A N HIS 119.A O.A no hydrogen 3.115 N/A ALA 109.A N HIS 119.A O.B no hydrogen 2.801 N/A CYS 110.A N ASN 71.A O no hydrogen 2.964 N/A GLU 111.A N VAL 116.A O no hydrogen 3.021 N/A TYR 115.A OH TYR 73.A OH no hydrogen 2.784 N/A VAL 116.A N GLU 111.A O no hydrogen 3.004 N/A VAL 118.A N ALA 109.A O no hydrogen 2.790 N/A HIS 119.A N.A ALA 109.A O no hydrogen 3.355 N/A ASP 121.A N ILE 107.A O no hydrogen 2.772 N/A ALA 122.A N ILE 107.A O no hydrogen 3.283 N/A VAL 124.A N HIS 105.A O no hydrogen 2.889 N/A SER 128.A N SER 125.A O no hydrogen 3.295 N/A SER 128.A OG SER 125.A O no hydrogen 2.817 N/A GLY 129.A N GLY 126.A O no hydrogen 3.341 N/A ARG 130.A N SER 128.A OG no hydrogen 3.123 N/A ALA 138.A N THR 135.A OG1 no hydrogen 3.016 N/A LYS 139.A N THR 135.A O no hydrogen 2.891 N/A PHE 140.A N ALA 136.A O no hydrogen 2.930 N/A GLU 141.A N ALA 137.A O no hydrogen 3.096 N/A ARG 142.A N ALA 138.A O no hydrogen 2.927 N/A ARG 142.A NE GLU 134.A OE2 no hydrogen 2.715 N/A ARG 142.A NH1 ARG 165.A O no hydrogen 3.017 N/A ARG 142.A NH2 GLU 134.A OE1 no hydrogen 2.956 N/A GLN 143.A N LYS 139.A O no hydrogen 2.893 N/A HIS 144.A N PHE 140.A O no hydrogen 2.833 N/A MET 145.A N GLU 141.A O no hydrogen 3.039 N/A ASP 146.A N VAL 179.A O no hydrogen 2.878 N/A SER 147.A OG GLU 181.A O no hydrogen 2.669 N/A SER 148.A N ASP 146.A OD1 no hydrogen 3.319 N/A SER 148.A OG ASP 146.A OD1 no hydrogen 2.680 N/A THR 149.A OG1 ALA 151.A O no hydrogen 3.046 N/A ALA 152.A N GLN 233.A OE1 no hydrogen 2.957 N/A ASN 156.A N SER 154.A OG no hydrogen 3.380 N/A TYR 157.A N SER 154.A O no hydrogen 3.314 N/A TYR 157.A OH ASP 146.A OD2 no hydrogen 2.491 N/A CYS 158.A N THR 231.A OG1 no hydrogen 3.012 N/A CYS 158.A SG ASP 215.A O no hydrogen 3.784 N/A CYS 158.A SG LYS 230.A O no hydrogen 3.917 N/A CYS 158.A SG THR 231.A OG1 no hydrogen 3.093 N/A ASN 159.A ND2 TYR 229.A O no hydrogen 3.548 N/A GLN 160.A N ASN 156.A O no hydrogen 3.064 N/A MET 161.A N TYR 157.A O no hydrogen 2.830 N/A MET 162.A N CYS 158.A O no hydrogen 2.806 N/A SER 164.A N GLN 160.A O no hydrogen 2.913 N/A SER 164.A OG GLN 160.A O no hydrogen 3.237 N/A SER 164.A OG MET 161.A O no hydrogen 3.299 N/A ARG 165.A N MET 161.A O no hydrogen 2.876 N/A ARG 165.A NH1 ARG 142.A O no hydrogen 2.763 N/A ARG 165.A NH1 MET 145.A O no hydrogen 2.842 N/A ARG 165.A NH2 MET 145.A O no hydrogen 3.055 N/A ASN 166.A N LYS 163.A O no hydrogen 2.861 N/A ASN 166.A ND2 LYS 163.A O no hydrogen 3.565 N/A LEU 167.A N MET 162.A O no hydrogen 2.800 N/A LYS 173.A N LEU 167.A O no hydrogen 3.172 N/A LYS 173.A NZ GLN 143.A OE1 no hydrogen 3.447 N/A LYS 173.A NZ ASN 176.A OD1 no hydrogen 2.958 N/A ASN 176.A N CYS 216.A O no hydrogen 2.916 N/A ASN 176.A ND2 GLN 143.A O no hydrogen 2.788 N/A THR 177.A OG1 ASP 215.A OD1 no hydrogen 2.789 N/A PHE 178.A N THR 214.A O no hydrogen 2.956 N/A VAL 179.A N HIS 144.A O no hydrogen 2.683 N/A HIS 180.A N SER 212.A O no hydrogen 2.669 N/A HIS 180.A ND1 ASP 146.A O no hydrogen 3.237 N/A HIS 180.A NE2 THR 214.A OG1 no hydrogen 2.526 N/A ASP 185.A N SER 182.A OG no hydrogen 3.014 N/A VAL 186.A N SER 182.A O no hydrogen 3.128 N/A GLN 187.A N LEU 183.A O no hydrogen 2.799 N/A ALA 188.A N ALA 184.A O no hydrogen 2.999 N/A VAL 189.A N VAL 186.A O no hydrogen 3.054 N/A CYS 190.A N GLN 187.A O no hydrogen 3.175 N/A CYS 190.A SG TYR 247.A O no hydrogen 3.747 N/A SER 191.A N.A ALA 188.A O no hydrogen 2.939 N/A SER 191.A N.B ALA 188.A O no hydrogen 2.974 N/A SER 191.A OG.B ALA 188.A O no hydrogen 2.868 N/A GLN 192.A N VAL 189.A O no hydrogen 2.932 N/A LYS 193.A N GLN 206.A O no hydrogen 3.184 N/A ASN 194.A ND2 THR 202.A O no hydrogen 2.934 N/A ASN 194.A ND2 CYS 204.A O no hydrogen 2.922 N/A VAL 195.A N CYS 204.A O no hydrogen 2.905 N/A CYS 197.A N GLN 201.A O no hydrogen 2.700 N/A CYS 197.A SG GLN 201.A O no hydrogen 3.590 N/A LYS 198.A N ASP 253.A OD2 no hydrogen 3.002 N/A ASN 199.A ND2 GLN 201.A OE1 no hydrogen 2.946 N/A GLY 200.A N CYS 197.A O no hydrogen 2.906 N/A GLN 201.A N ASN 199.A OD1 no hydrogen 2.838 N/A CYS 204.A SG VAL 240.A O no hydrogen 3.751 N/A TYR 205.A N VAL 240.A O no hydrogen 2.861 N/A TYR 205.A OH TYR 247.A OH no hydrogen 2.829 N/A GLN 206.A N LYS 193.A O no hydrogen 2.715 N/A GLN 206.A NE2 SER 207.A O no hydrogen 2.968 N/A SER 207.A N ILE 238.A O no hydrogen 2.847 N/A SER 207.A OG SER 209.A O.A no hydrogen 2.726 N/A SER 207.A OG SER 209.A O.B no hydrogen 2.688 N/A TYR 208.A N GLN 192.A OE1 no hydrogen 2.822 N/A SER 209.A OG.A THR 210.A O no hydrogen 2.913 N/A MET 211.A N LYS 236.A O no hydrogen 2.710 N/A SER 212.A N GLU 181.A OE2 no hydrogen 2.829 N/A SER 212.A OG SER 150.A O no hydrogen 2.644 N/A ILE 213.A N ALA 234.A O no hydrogen 2.862 N/A THR 214.A N PHE 178.A O no hydrogen 2.874 N/A THR 214.A OG1 HIS 180.A NE2 no hydrogen 2.526 N/A THR 214.A OG1 GLN 233.A OE1 no hydrogen 2.785 N/A ASP 215.A N THR 232.A O no hydrogen 2.799 N/A CYS 216.A N ASN 176.A O no hydrogen 2.811 N/A ARG 217.A N LYS 230.A O no hydrogen 3.223 N/A GLU 218.A N PRO 174.A O no hydrogen 2.777 N/A THR 219.A N ALA 228.A O no hydrogen 3.021 N/A SER 222.A N THR 219.A O no hydrogen 3.414 N/A SER 222.A OG GLU 218.A OE2 no hydrogen 2.606 N/A SER 222.A OG ALA 228.A O no hydrogen 3.517 N/A TYR 224.A OH LYS 169.A O no hydrogen 2.773 N/A CYS 227.A N PRO 225.A O no hydrogen 3.030 N/A CYS 227.A SG PRO 225.A O no hydrogen 3.804 N/A ALA 228.A N SER 222.A OG no hydrogen 3.005 N/A TYR 229.A OH LYS 173.A O no hydrogen 2.627 N/A LYS 230.A N ARG 217.A O no hydrogen 2.842 N/A THR 231.A OG1 SER 155.A O no hydrogen 3.300 N/A THR 232.A N ASP 215.A O no hydrogen 2.967 N/A GLN 233.A NE2 SER 212.A OG no hydrogen 2.762 N/A ALA 234.A N ILE 213.A O no hydrogen 2.902 N/A LYS 236.A N MET 211.A O no hydrogen 3.037 N/A LYS 236.A NZ ASP 215.A OD2 no hydrogen 2.715 N/A HIS 237.A N VAL 256.A O no hydrogen 2.825 N/A ILE 238.A N SER 207.A OG no hydrogen 3.009 N/A ILE 239.A N ALA 254.A O no hydrogen 2.776 N/A VAL 240.A N TYR 205.A O no hydrogen 3.003 N/A ALA 241.A N HIS 251.A O no hydrogen 2.892 N/A CYS 242.A N ASN 203.A O no hydrogen 2.864 N/A GLU 243.A N VAL 248.A O no hydrogen 2.995 N/A TYR 247.A OH TYR 205.A OH no hydrogen 2.829 N/A VAL 248.A N GLU 243.A O no hydrogen 3.358 N/A VAL 250.A N ALA 241.A O no hydrogen 2.739 N/A HIS 251.A N ALA 241.A O no hydrogen 3.392 N/A ASP 253.A N ILE 239.A O no hydrogen 2.736 N/A ALA 254.A N ILE 239.A O no hydrogen 3.283 N/A VAL 256.A N HIS 237.A O no hydrogen 2.736 N/A