Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jwx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A ND1 THR 71.A OG1 no hydrogen 2.753 N/A LEU 3.A N THR 71.A O no hydrogen 2.920 N/A SER 4.A OG ARG 101.A O no hydrogen 2.746 N/A ILE 5.A N ASP 73.A O no hydrogen 3.091 N/A VAL 6.A N MET 104.A O.A no hydrogen 3.031 N/A VAL 6.A N MET 104.A O.B no hydrogen 3.050 N/A THR 7.A N TYR 75.A O no hydrogen 2.772 N/A THR 7.A OG1.A VAL 106.A O no hydrogen 2.589 N/A THR 7.A OG1.B TYR 75.A O no hydrogen 3.484 N/A LEU 8.A N THR 7.A OG1.A no hydrogen 2.810 N/A GLU 10.A N VAL 14.A O no hydrogen 2.815 N/A PHE 13.A N GLU 10.A O no hydrogen 2.850 N/A VAL 14.A N GLU 10.A O no hydrogen 3.011 N/A ILE 15.A N LYS 54.A O no hydrogen 2.672 N/A VAL 16.A N GLU 9.A OE2 no hydrogen 2.947 N/A GLU 17.A N CYS 52.A O no hydrogen 2.796 N/A LEU 22.A N ASP 20.A OD1 no hydrogen 2.890 N/A THR 23.A N ASP 20.A O no hydrogen 3.188 N/A THR 23.A OG1 ASP 20.A O no hydrogen 3.541 N/A THR 23.A OG1 THR 25.A OG1 no hydrogen 3.059 N/A GLU 24.A N ASP 20.A O no hydrogen 2.628 N/A THR 25.A N THR 23.A OG1 no hydrogen 3.148 N/A THR 25.A OG1 THR 23.A OG1 no hydrogen 3.059 N/A CYS 26.A SG LYS 51.A O.A no hydrogen 3.345 N/A CYS 26.A SG LYS 51.A O.B no hydrogen 3.312 N/A THR 30.A N VAL 27.A O no hydrogen 3.095 N/A THR 30.A OG1 VAL 27.A O no hydrogen 2.706 N/A VAL 31.A N CYS 53.A O no hydrogen 2.859 N/A CYS 33.A N.A LYS 51.A O.A no hydrogen 3.044 N/A CYS 33.A N.A LYS 51.A O.B no hydrogen 3.039 N/A CYS 33.A N.B LYS 51.A O.A no hydrogen 3.055 N/A CYS 33.A N.B LYS 51.A O.B no hydrogen 3.050 N/A CYS 33.A SG.B ARG 34.A O no hydrogen 3.687 N/A CYS 33.A SG.B LEU 74.A O no hydrogen 3.386 N/A ARG 34.A N LEU 74.A O no hydrogen 3.050 N/A ARG 34.A NE ASP 73.A OD1 no hydrogen 3.175 N/A ARG 34.A NE ASP 73.A OD2 no hydrogen 3.141 N/A ARG 34.A NH2 ASP 73.A OD2 no hydrogen 2.877 N/A LYS 35.A N VAL 49.A O no hydrogen 3.007 N/A VAL 37.A N MET 47.A O no hydrogen 2.898 N/A LYS 38.A NZ ASN 44.A OD1 no hydrogen 2.885 N/A ILE 39.A N GLU 45.A O no hydrogen 2.952 N/A SER 42.A N ASN 40.A OD1 no hydrogen 2.864 N/A THR 43.A N ASN 40.A OD1 no hydrogen 3.373 N/A GLU 45.A N THR 43.A OG1 no hydrogen 3.210 N/A MET 47.A N VAL 37.A O no hydrogen 2.993 N/A VAL 49.A N LYS 35.A O no hydrogen 2.789 N/A LYS 50.A NZ GLU 24.A OE1 no hydrogen 3.562 N/A LYS 51.A N.A CYS 33.A O.A no hydrogen 2.780 N/A LYS 51.A N.A CYS 33.A O.B no hydrogen 2.762 N/A LYS 51.A N.B CYS 33.A O.A no hydrogen 2.787 N/A LYS 51.A N.B CYS 33.A O.B no hydrogen 2.768 N/A LYS 51.A NZ.A ASP 18.A OD1 no hydrogen 2.464 N/A CYS 52.A N GLU 17.A O no hydrogen 2.943 N/A CYS 52.A SG.B GLU 17.A OE1 no hydrogen 3.695 N/A CYS 52.A SG.B ASP 18.A O no hydrogen 3.315 N/A CYS 53.A N VAL 31.A O no hydrogen 2.810 N/A LYS 54.A N ILE 15.A O no hydrogen 2.941 N/A LYS 54.A NZ GLU 17.A OE2 no hydrogen 2.914 N/A PHE 56.A N PRO 12.A O no hydrogen 2.970 N/A CYS 57.A N PHE 13.A O no hydrogen 2.897 N/A ASP 59.A N GLY 55.A O no hydrogen 2.863 N/A ILE 60.A N PHE 56.A O no hydrogen 3.027 N/A LEU 61.A N CYS 57.A O no hydrogen 2.937 N/A LYS 62.A N ILE 58.A O no hydrogen 2.802 N/A LYS 62.A NZ ASN 29.A O no hydrogen 3.280 N/A LYS 62.A NZ ASP 59.A OD1 no hydrogen 2.896 N/A LYS 63.A N ASP 59.A O no hydrogen 3.001 N/A LYS 63.A NZ GLU 265.A OE1 no hydrogen 2.808 N/A LEU 64.A N ILE 60.A O no hydrogen 2.839 N/A SER 65.A N LEU 61.A O no hydrogen 2.850 N/A SER 65.A OG PHE 70.A O no hydrogen 2.633 N/A ARG 66.A N LYS 62.A O no hydrogen 3.016 N/A ARG 66.A NE THR 67.A OG1 no hydrogen 3.160 N/A ARG 66.A NH1 GLU 265.A OE1 no hydrogen 3.373 N/A ARG 66.A NH2 THR 67.A OG1 no hydrogen 3.088 N/A ARG 66.A NH2 GLU 265.A OE1 no hydrogen 2.913 N/A THR 67.A N LYS 63.A O no hydrogen 2.860 N/A THR 67.A OG1 LYS 63.A O no hydrogen 2.992 N/A VAL 68.A N LEU 64.A O no hydrogen 2.828 N/A LYS 69.A N SER 65.A O no hydrogen 2.917 N/A PHE 70.A N SER 65.A O no hydrogen 3.234 N/A THR 71.A OG1 HIS 2.A ND1 no hydrogen 2.753 N/A ASP 73.A N LEU 3.A O no hydrogen 2.813 N/A TYR 75.A N ILE 5.A O no hydrogen 2.885 N/A TYR 75.A OH GLU 96.A OE1 no hydrogen 2.629 N/A LEU 76.A N ARG 34.A O no hydrogen 2.865 N/A VAL 77.A N THR 7.A O no hydrogen 2.980 N/A HIS 82.A NE2 SER 108.A OG no hydrogen 2.993 N/A LYS 84.A N ASN 91.A OD1 no hydrogen 2.993 N/A LYS 84.A NZ ASN 165.A OD1 no hydrogen 2.982 N/A VAL 86.A N VAL 89.A O no hydrogen 2.843 N/A VAL 89.A N VAL 86.A O no hydrogen 3.009 N/A TRP 90.A N TYR 99.A OH no hydrogen 3.278 N/A ASN 91.A N LYS 84.A O no hydrogen 2.882 N/A GLY 92.A N ASN 79.A O no hydrogen 2.781 N/A MET 93.A N LYS 81.A O no hydrogen 2.849 N/A ILE 94.A N HIS 82.A O no hydrogen 3.082 N/A GLY 95.A N ASN 91.A O no hydrogen 2.914 N/A GLU 96.A N GLY 92.A O no hydrogen 3.100 N/A VAL 97.A N MET 93.A O no hydrogen 3.235 N/A VAL 98.A N ILE 94.A O no hydrogen 2.890 N/A TYR 99.A N GLY 95.A O no hydrogen 2.945 N/A GLN 100.A N VAL 97.A O no hydrogen 2.919 N/A ARG 101.A N GLU 96.A O no hydrogen 2.841 N/A ARG 101.A NE GLU 96.A OE1 no hydrogen 3.090 N/A ARG 101.A NE GLU 96.A OE2 no hydrogen 3.069 N/A ARG 101.A NH2 GLU 96.A OE2 no hydrogen 3.077 N/A ALA 102.A N GLU 96.A O no hydrogen 3.041 N/A VAL 103.A N SER 4.A O no hydrogen 2.743 N/A ALA 105.A N ALA 242.A O no hydrogen 2.902 N/A VAL 106.A N VAL 6.A O no hydrogen 2.965 N/A SER 108.A OG GLU 10.A OE1 no hydrogen 2.718 N/A SER 108.A OG HIS 82.A NE2 no hydrogen 2.993 N/A ILE 111.A N GLY 238.A O no hydrogen 2.960 N/A ARG 115.A N ASN 112.A OD1 no hydrogen 2.850 N/A ARG 115.A NH1 THR 110.A O no hydrogen 2.878 N/A ARG 115.A NH2 GLY 83.A O no hydrogen 2.931 N/A SER 116.A N ASN 112.A O no hydrogen 2.951 N/A SER 116.A OG ASN 112.A O no hydrogen 2.917 N/A GLU 117.A N GLU 113.A O no hydrogen 3.168 N/A GLU 117.A N GLU 114.A O no hydrogen 3.307 N/A VAL 118.A N ARG 115.A O no hydrogen 2.980 N/A VAL 119.A N ARG 115.A O no hydrogen 2.964 N/A ASP 120.A N LEU 243.A O no hydrogen 2.877 N/A SER 122.A N ILE 241.A O no hydrogen 2.833 N/A SER 122.A OG VAL 123.A O no hydrogen 2.850 N/A VAL 123.A N ASP 254.A OD1 no hydrogen 2.878 N/A PHE 125.A N TYR 239.A O no hydrogen 2.993 N/A THR 128.A N THR 237.A O no hydrogen 3.112 N/A THR 128.A OG1 ASP 209.A OD1 no hydrogen 2.540 N/A SER 131.A N TYR 208.A O no hydrogen 2.992 N/A SER 131.A OG.B VAL 132.A O no hydrogen 3.508 N/A SER 131.A OG.B ILE 228.A O no hydrogen 2.927 N/A VAL 132.A N ILE 228.A O no hydrogen 2.868 N/A MET 133.A N PHE 206.A O no hydrogen 2.778 N/A VAL 134.A N VAL 226.A O no hydrogen 2.851 N/A SER 135.A OG.B LEU 198.A O no hydrogen 2.666 N/A ARG 136.A N LYS 224.A O no hydrogen 2.905 N/A ARG 136.A NE CYS 223.A O.A no hydrogen 2.710 N/A ARG 136.A NE CYS 223.A O.B no hydrogen 2.729 N/A ARG 136.A NH2 CYS 223.A O.A no hydrogen 3.281 N/A ARG 136.A NH2 CYS 223.A O.B no hydrogen 3.428 N/A ARG 136.A NH2 HIS 279.A O no hydrogen 2.949 N/A THR 138.A N SER 135.A O no hydrogen 2.918 N/A THR 138.A OG1 SER 135.A O no hydrogen 3.423 N/A THR 141.A N ASP 145.A OD2 no hydrogen 2.866 N/A THR 141.A OG1 ASP 145.A OD2 no hydrogen 3.431 N/A LEU 143.A N SER 230.A O no hydrogen 2.871 N/A ASP 145.A N GLY 142.A O no hydrogen 3.075 N/A LYS 147.A N ASP 145.A OD1 no hydrogen 2.956 N/A LYS 147.A NZ GLN 139.A O no hydrogen 2.870 N/A PHE 148.A N ASP 145.A O no hydrogen 2.939 N/A GLN 149.A N ASP 145.A O no hydrogen 3.053 N/A GLN 149.A NE2 SER 144.A O no hydrogen 2.569 N/A ARG 150.A N LYS 146.A O no hydrogen 2.814 N/A ARG 150.A NE ASP 153.A OD2 no hydrogen 2.830 N/A ARG 150.A NH2 ASP 153.A OD1 no hydrogen 3.170 N/A ASP 153.A N ARG 150.A O no hydrogen 2.964 N/A TYR 154.A N PRO 151.A O no hydrogen 3.372 N/A PHE 158.A N PRO 151.A O no hydrogen 2.938 N/A ARG 159.A N ASP 204.A OD2 no hydrogen 2.856 N/A ARG 159.A NE ASP 204.A OD2 no hydrogen 2.957 N/A ARG 159.A NH1 GLY 201.A O no hydrogen 2.963 N/A ARG 159.A NH2 GLY 201.A O no hydrogen 3.112 N/A ARG 159.A NH2 ASP 204.A OD1 no hydrogen 2.836 N/A GLY 161.A N ALA 205.A O no hydrogen 3.289 N/A THR 162.A OG1 ILE 207.A O no hydrogen 2.605 N/A ASN 165.A N GLU 169.A OE1 no hydrogen 2.693 N/A ARG 170.A N GLY 166.A O no hydrogen 3.336 N/A ARG 170.A NE GLU 114.A OE1.B no hydrogen 2.710 N/A ARG 170.A NE GLU 114.A OE2.A no hydrogen 3.470 N/A ARG 170.A NH2 GLU 114.A OE1.B no hydrogen 3.487 N/A ARG 170.A NH2 GLU 114.A OE2.B no hydrogen 2.896 N/A ASN 171.A N SER 167.A O no hydrogen 2.899 N/A ILE 172.A N THR 168.A O no hydrogen 3.086 N/A ARG 173.A N GLU 169.A O no hydrogen 2.770 N/A ASN 174.A N ARG 170.A O no hydrogen 2.886 N/A ASN 174.A ND2 GLU 114.A OE1.B no hydrogen 3.551 N/A ASN 175.A N ILE 172.A O no hydrogen 3.168 N/A ASN 175.A ND2 ASN 171.A O no hydrogen 2.848 N/A TYR 176.A N ILE 172.A O no hydrogen 2.825 N/A HIS 180.A N TYR 176.A O no hydrogen 3.069 N/A GLN 181.A N PRO 177.A O no hydrogen 2.913 N/A TYR 182.A N TYR 178.A O no hydrogen 2.817 N/A TYR 182.A OH PHE 158.A O no hydrogen 2.612 N/A MET 183.A N MET 179.A O no hydrogen 2.971 N/A THR 184.A N HIS 180.A O no hydrogen 3.218 N/A THR 184.A OG1 GLN 181.A O no hydrogen 3.426 N/A PHE 186.A N MET 183.A O no hydrogen 2.824 N/A ASN 187.A N THR 184.A O no hydrogen 3.071 N/A GLN 188.A N THR 162.A O no hydrogen 2.885 N/A GLN 188.A NE2 PHE 186.A O no hydrogen 2.887 N/A ALA 194.A N GLY 190.A O no hydrogen 3.236 N/A LEU 195.A N VAL 191.A O no hydrogen 2.946 N/A VAL 196.A N GLU 192.A O no hydrogen 3.169 N/A SER 197.A N ASP 193.A O no hydrogen 3.069 N/A SER 197.A OG.A ASP 193.A O no hydrogen 3.151 N/A LEU 198.A N ALA 194.A O no hydrogen 2.903 N/A LYS 199.A N LEU 195.A O no hydrogen 3.013 N/A LYS 199.A NZ ASP 220.A OD1 no hydrogen 2.779 N/A THR 200.A N VAL 196.A O no hydrogen 3.059 N/A THR 200.A OG1 VAL 196.A O no hydrogen 2.799 N/A THR 200.A OG1 SER 197.A O no hydrogen 3.505 N/A GLY 201.A N LEU 198.A O no hydrogen 3.210 N/A LYS 202.A N SER 197.A O no hydrogen 2.780 N/A LEU 203.A N SER 197.A O no hydrogen 3.261 N/A ASP 204.A N ARG 159.A O no hydrogen 2.849 N/A ALA 205.A N ARG 159.A O no hydrogen 3.053 N/A PHE 206.A N MET 133.A O no hydrogen 2.927 N/A ILE 207.A N GLY 161.A O no hydrogen 2.891 N/A TYR 208.A N SER 131.A O no hydrogen 3.064 N/A TYR 208.A OH GLU 10.A OE2 no hydrogen 2.583 N/A ALA 210.A N GLY 129.A O no hydrogen 2.864 N/A ALA 211.A N THR 128.A OG1 no hydrogen 3.054 N/A VAL 212.A N ASP 209.A OD2 no hydrogen 3.083 N/A LEU 213.A N ASP 209.A O no hydrogen 3.081 N/A ASN 214.A N ALA 210.A O no hydrogen 2.812 N/A TYR 215.A N ALA 211.A O no hydrogen 3.162 N/A LYS 216.A N VAL 212.A O no hydrogen 2.920 N/A LYS 216.A NZ.A GLU 192.A OE2 no hydrogen 2.756 N/A LYS 216.A NZ.B GLU 192.A OE2 no hydrogen 2.793 N/A ALA 217.A N LEU 213.A O no hydrogen 2.947 N/A GLY 218.A N ASN 214.A O no hydrogen 3.023 N/A ARG 219.A N LYS 216.A O no hydrogen 3.402 N/A ARG 219.A NH2 THR 275.A O.A no hydrogen 2.905 N/A ARG 219.A NH2 THR 275.A O.B no hydrogen 2.885 N/A CYS 223.A N.A ASP 220.A O no hydrogen 2.949 N/A CYS 223.A N.B ASP 220.A O no hydrogen 2.983 N/A CYS 223.A SG.A ASP 220.A O no hydrogen 3.695 N/A CYS 223.A SG.B HIS 279.A O no hydrogen 3.583 N/A LYS 224.A N ASP 220.A OD2 no hydrogen 2.833 N/A VAL 226.A N VAL 134.A O no hydrogen 2.906 N/A THR 227.A OG1.A LEU 213.A O no hydrogen 3.314 N/A THR 227.A OG1.B ASN 214.A OD1 no hydrogen 3.133 N/A ILE 228.A N VAL 132.A O no hydrogen 2.840 N/A SER 230.A N ILE 130.A O no hydrogen 3.073 N/A SER 230.A OG ILE 130.A O no hydrogen 2.663 N/A TYR 232.A N SER 230.A OG no hydrogen 2.895 N/A ILE 233.A N GLY 231.A O no hydrogen 2.868 N/A ALA 235.A N TYR 232.A O no hydrogen 2.899 N/A THR 236.A N ILE 233.A O no hydrogen 3.000 N/A THR 237.A N THR 128.A O no hydrogen 2.969 N/A THR 237.A OG1 ILE 111.A O no hydrogen 2.808 N/A GLY 238.A N THR 237.A OG1 no hydrogen 2.662 N/A TYR 239.A N VAL 126.A O no hydrogen 2.850 N/A TYR 239.A OH ASP 209.A OD2 no hydrogen 2.563 N/A GLY 240.A N LEU 109.A O no hydrogen 3.017 N/A ILE 241.A N SER 122.A OG no hydrogen 2.885 N/A ALA 242.A N ALA 105.A O no hydrogen 3.107 N/A LEU 243.A N ASP 120.A O no hydrogen 2.739 N/A LYS 245.A NZ SER 116.A O no hydrogen 2.540 N/A LYS 245.A NZ VAL 119.A O no hydrogen 3.119 N/A LYS 245.A NZ ASP 120.A OD1 no hydrogen 2.869 N/A GLY 246.A N ASP 120.A OD2 no hydrogen 2.766 N/A SER 247.A N GLN 244.A O no hydrogen 2.890 N/A TRP 249.A N SER 247.A OG no hydrogen 3.019 N/A LYS 250.A NZ PHE 121.A O no hydrogen 2.745 N/A LYS 250.A NZ ASP 254.A OD2 no hydrogen 2.754 N/A ILE 253.A N TRP 249.A O no hydrogen 2.969 N/A ASP 254.A N LYS 250.A O no hydrogen 2.860 N/A LEU 255.A N ARG 251.A O no hydrogen 3.024 N/A ALA 256.A N GLN 252.A O no hydrogen 3.013 N/A LEU 257.A N ILE 253.A O no hydrogen 2.937 N/A LEU 258.A N ASP 254.A O no hydrogen 2.876 N/A GLN 259.A N LEU 255.A O no hydrogen 2.907 N/A PHE 260.A N ALA 256.A O no hydrogen 2.923 N/A VAL 261.A N LEU 257.A O no hydrogen 2.967 N/A GLY 262.A N LEU 258.A O no hydrogen 2.965 N/A ASP 263.A N GLN 259.A O no hydrogen 2.997 N/A GLU 265.A N ASP 263.A OD1 no hydrogen 2.973 N/A MET 266.A N PHE 260.A O no hydrogen 3.010 N/A GLU 268.A N GLY 264.A O no hydrogen 3.018 N/A LEU 269.A N GLU 265.A O no hydrogen 3.058 N/A GLU 270.A N MET 266.A O no hydrogen 2.928 N/A THR 271.A N GLU 267.A O no hydrogen 2.982 N/A THR 271.A OG1 GLU 267.A O no hydrogen 3.163 N/A LEU 272.A N GLU 268.A O no hydrogen 2.886 N/A TRP 273.A N LEU 269.A O no hydrogen 2.960 N/A TRP 273.A NE1 ASP 59.A OD2 no hydrogen 2.847 N/A LEU 274.A N GLU 270.A O no hydrogen 2.831 N/A THR 275.A N.A GLU 270.A O no hydrogen 3.171 N/A THR 275.A N.B GLU 270.A O no hydrogen 3.164 N/A THR 275.A OG1.A THR 271.A O no hydrogen 3.252 N/A THR 275.A OG1.B GLU 270.A O no hydrogen 3.219 N/A ILE 277.A N GLY 218.A O no hydrogen 2.762 N/A CYS 278.A N GLY 218.A O no hydrogen 2.805 N/A CYS 278.A SG ALA 217.A O no hydrogen 3.454 N/A CYS 278.A SG GLY 218.A O no hydrogen 3.495 N/A CYS 278.A SG ASP 220.A O no hydrogen 3.408 N/A