Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wbx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A N LEU 102.A O no hydrogen 3.331 N/A HIS 2.A ND1 ASP 28.A OD2 no hydrogen 2.630 N/A SER 3.A N ASP 28.A OD1 no hydrogen 2.905 N/A MET 4.A N CYS 100.A O no hydrogen 2.936 N/A ARG 5.A N TYR 26.A O no hydrogen 2.870 N/A ARG 5.A NH1 MET 4.A O no hydrogen 3.086 N/A ARG 5.A NH1 ASP 101.A OD1 no hydrogen 2.943 N/A ARG 5.A NH2 ASP 101.A OD1 no hydrogen 2.879 N/A ARG 5.A NH2 ASP 101.A OD2 no hydrogen 3.569 N/A TYR 6.A N SER 98.A O no hydrogen 2.817 N/A PHE 7.A N VAL 24.A O no hydrogen 2.865 N/A GLU 8.A N GLN 96.A O no hydrogen 2.806 N/A THR 9.A N ILE 22.A O no hydrogen 2.873 N/A ALA 10.A N LEU 94.A O no hydrogen 2.910 N/A VAL 11.A N ARG 20.A O no hydrogen 2.820 N/A SER 12.A N HIS 92.A O no hydrogen 3.022 N/A SER 12.A OG HIS 92.A O no hydrogen 3.487 N/A ARG 13.A NH1 ASP 38.A OD1 no hydrogen 3.373 N/A ARG 13.A NH2 ASP 38.A OD1 no hydrogen 3.111 N/A LEU 16.A N ARG 13.A O no hydrogen 2.887 N/A ARG 20.A N VAL 11.A O no hydrogen 2.828 N/A ARG 20.A NE ASP 36.A OD1 no hydrogen 3.162 N/A ARG 20.A NH2 ASP 36.A OD2 no hydrogen 2.780 N/A TYR 21.A N SER 37.A OG no hydrogen 2.899 N/A TYR 21.A OH GLU 8.A OE1 no hydrogen 2.557 N/A ILE 22.A N THR 9.A O no hydrogen 2.854 N/A SER 23.A N PHE 35.A O no hydrogen 2.900 N/A SER 23.A OG TYR 44.A OH no hydrogen 2.697 N/A VAL 24.A N PHE 7.A O no hydrogen 3.008 N/A GLY 25.A N VAL 33.A O no hydrogen 2.926 N/A TYR 26.A N ARG 5.A O no hydrogen 2.734 N/A VAL 27.A N LYS 30.A O no hydrogen 2.972 N/A ASP 28.A N SER 3.A O no hydrogen 2.815 N/A LYS 30.A N VAL 27.A O no hydrogen 3.017 N/A LYS 30.A NZ GLU 31.A O no hydrogen 3.247 N/A PHE 32.A N GLY 25.A O no hydrogen 2.886 N/A ARG 34.A N GLU 45.A O no hydrogen 3.042 N/A ARG 34.A NE GLU 31.A OE2 no hydrogen 2.809 N/A ARG 34.A NH2 GLU 31.A OE1 no hydrogen 3.019 N/A ARG 34.A NH2 GLU 31.A OE2 no hydrogen 3.484 N/A PHE 35.A N SER 23.A O no hydrogen 2.788 N/A SER 37.A N TYR 21.A O no hydrogen 2.902 N/A SER 37.A OG TYR 21.A O no hydrogen 3.348 N/A ASP 38.A N ASP 36.A OD1 no hydrogen 2.906 N/A ALA 39.A N ASP 36.A O no hydrogen 3.408 N/A ARG 43.A NH2 GLU 60.A OE1 no hydrogen 2.482 N/A TYR 44.A N THR 63.A OG1 no hydrogen 3.120 N/A GLU 45.A N ARG 34.A O no hydrogen 2.891 N/A ARG 47.A N PHE 32.A O no hydrogen 2.871 N/A MET 51.A N ALA 48.A O no hydrogen 3.080 N/A GLU 52.A N PRO 49.A O no hydrogen 3.027 N/A GLN 53.A N TRP 50.A O no hydrogen 3.292 N/A GLN 53.A NE2 ASN 173.A O no hydrogen 2.970 N/A GLU 54.A N MET 51.A O no hydrogen 3.218 N/A TYR 58.A N GLY 55.A O no hydrogen 3.024 N/A TYR 58.A OH TYR 170.A OH no hydrogen 2.594 N/A GLU 60.A N PRO 56.A O no hydrogen 3.045 N/A ARG 61.A N GLU 57.A O no hydrogen 3.150 N/A ARG 61.A NH2 GLU 62.A OE2 no hydrogen 3.492 N/A GLU 62.A N TYR 58.A O no hydrogen 3.030 N/A THR 63.A N TRP 59.A O no hydrogen 2.951 N/A THR 63.A OG1 TRP 59.A O no hydrogen 2.632 N/A GLN 64.A N GLU 60.A O no hydrogen 2.986 N/A LYS 65.A N ARG 61.A O no hydrogen 3.146 N/A LYS 65.A NZ GLU 62.A OE1 no hydrogen 2.619 N/A LYS 65.A NZ GLU 62.A OE2 no hydrogen 3.237 N/A ALA 66.A N GLU 62.A O no hydrogen 3.019 N/A LYS 67.A N THR 63.A O no hydrogen 3.292 N/A GLY 68.A N GLN 64.A O no hydrogen 3.100 N/A GLN 69.A N LYS 65.A O no hydrogen 2.901 N/A GLN 69.A NE2 GLU 8.A OE1 no hydrogen 2.777 N/A GLN 69.A NE2 GLU 8.A OE2 no hydrogen 3.423 N/A GLU 70.A N ALA 66.A O no hydrogen 2.862 N/A GLN 71.A N LYS 67.A O no hydrogen 3.294 N/A TRP 72.A N GLY 68.A O no hydrogen 3.046 N/A PHE 73.A N GLN 69.A O no hydrogen 2.826 N/A ARG 74.A N GLU 70.A O no hydrogen 2.941 N/A VAL 75.A N GLN 71.A O no hydrogen 3.038 N/A SER 76.A N TRP 72.A O no hydrogen 3.019 N/A SER 76.A OG TRP 72.A O no hydrogen 2.917 N/A LEU 77.A N PHE 73.A O no hydrogen 2.885 N/A ARG 78.A N ARG 74.A O no hydrogen 3.257 N/A ASN 79.A N VAL 75.A O no hydrogen 3.044 N/A LEU 80.A N SER 76.A O no hydrogen 2.957 N/A LEU 81.A N LEU 77.A O no hydrogen 3.099 N/A GLY 82.A N ASN 79.A O no hydrogen 3.038 N/A TYR 83.A N ASN 79.A O no hydrogen 3.074 N/A TYR 84.A N LEU 80.A O no hydrogen 3.062 N/A TYR 84.A OH ASP 136.A OD2 no hydrogen 2.488 N/A ASN 85.A N GLY 82.A O no hydrogen 3.095 N/A GLN 86.A N LEU 81.A O no hydrogen 2.858 N/A GLN 86.A NE2 TYR 117.A OH no hydrogen 2.605 N/A SER 91.A OG SER 12.A O no hydrogen 2.310 N/A HIS 92.A N SER 12.A OG no hydrogen 3.027 N/A HIS 92.A ND1 GLU 118.A OE2 no hydrogen 2.677 N/A THR 93.A N GLU 118.A OE1 no hydrogen 3.055 N/A LEU 94.A N ALA 10.A O no hydrogen 2.966 N/A GLN 95.A N ALA 116.A O no hydrogen 2.871 N/A GLN 96.A N GLU 8.A O no hydrogen 2.919 N/A MET 97.A N GLN 114.A O no hydrogen 2.941 N/A SER 98.A N TYR 6.A O no hydrogen 3.005 N/A GLY 99.A N TYR 112.A O no hydrogen 3.126 N/A CYS 100.A N MET 4.A O no hydrogen 3.006 N/A ASP 101.A N ARG 110.A O no hydrogen 2.924 N/A LEU 102.A N HIS 2.A O no hydrogen 2.758 N/A GLY 103.A N ARG 107.A O no hydrogen 3.124 N/A TRP 106.A N GLY 103.A O no hydrogen 3.057 N/A ARG 107.A N ASP 105.A OD1 no hydrogen 2.896 N/A LEU 109.A N ASP 101.A O no hydrogen 2.739 N/A ARG 110.A N ASP 101.A O no hydrogen 3.437 N/A TYR 112.A N GLY 99.A O no hydrogen 2.796 N/A TYR 112.A OH ASP 101.A OD2 no hydrogen 2.895 N/A GLN 114.A N MET 97.A O no hydrogen 2.880 N/A PHE 115.A N ILE 123.A O no hydrogen 2.724 N/A ALA 116.A N GLN 95.A O no hydrogen 2.870 N/A TYR 117.A N ARG 120.A O no hydrogen 2.849 N/A GLU 118.A N THR 93.A O no hydrogen 2.920 N/A ARG 120.A N TYR 117.A O no hydrogen 3.080 N/A TYR 122.A N PHE 115.A O no hydrogen 2.870 N/A TYR 122.A OH THR 142.A OG1 no hydrogen 2.759 N/A ALA 124.A N THR 133.A O no hydrogen 3.014 N/A LEU 125.A N LEU 113.A O no hydrogen 2.839 N/A ASN 126.A N THR 131.A O no hydrogen 2.750 N/A ASN 126.A ND2 THR 133.A OG1 no hydrogen 2.520 N/A LEU 129.A N ASN 126.A O no hydrogen 2.800 N/A LYS 130.A N ASP 128.A OD1 no hydrogen 2.795 N/A LYS 130.A NZ ASP 128.A O no hydrogen 2.833 N/A THR 131.A N ASP 128.A OD1 no hydrogen 2.946 N/A THR 131.A OG1 ASN 126.A OD1 no hydrogen 2.950 N/A THR 131.A OG1 ASP 128.A OD1 no hydrogen 3.362 N/A THR 131.A OG1 ASP 128.A OD2 no hydrogen 2.760 N/A THR 133.A N ALA 124.A O no hydrogen 2.748 N/A ALA 135.A N TYR 122.A O no hydrogen 2.929 N/A ALA 139.A N ASP 136.A OD1 no hydrogen 2.873 N/A GLN 140.A N ASP 136.A O no hydrogen 3.212 N/A GLN 140.A N MET 137.A O no hydrogen 2.984 N/A GLN 140.A NE2 ALA 134.A O no hydrogen 3.296 N/A GLN 140.A NE2 ASP 136.A O no hydrogen 3.582 N/A ILE 141.A N ALA 138.A O no hydrogen 3.081 N/A THR 142.A OG1 TYR 122.A OH no hydrogen 2.759 N/A ARG 143.A N ALA 139.A O no hydrogen 2.889 N/A ARG 143.A NE GLN 140.A OE1 no hydrogen 2.798 N/A ARG 143.A NH1 GLU 147.A OE2 no hydrogen 2.903 N/A ARG 143.A NH2 GLN 140.A OE1 no hydrogen 2.948 N/A ARG 144.A N GLN 140.A O no hydrogen 2.938 N/A LYS 145.A N ILE 141.A O no hydrogen 2.933 N/A TRP 146.A N THR 142.A O no hydrogen 2.836 N/A GLU 147.A N ARG 143.A O no hydrogen 2.827 N/A GLN 148.A N ARG 144.A O no hydrogen 2.847 N/A SER 149.A N LYS 145.A O no hydrogen 2.935 N/A SER 149.A OG LYS 145.A O no hydrogen 3.477 N/A SER 149.A OG TRP 146.A O no hydrogen 3.350 N/A GLY 150.A N GLU 147.A O no hydrogen 3.039 N/A ALA 151.A N TRP 146.A O no hydrogen 3.025 N/A HIS 154.A N ALA 151.A O no hydrogen 3.244 N/A LYS 156.A N ALA 152.A O no hydrogen 2.857 N/A LYS 156.A NZ GLU 160.A OE1 no hydrogen 3.064 N/A LYS 156.A NZ GLU 160.A OE2 no hydrogen 2.895 N/A ALA 157.A N GLU 153.A O no hydrogen 3.007 N/A TYR 158.A N HIS 154.A O no hydrogen 3.293 N/A LEU 159.A N TYR 155.A O no hydrogen 3.004 N/A GLU 160.A N LYS 156.A O no hydrogen 2.993 N/A GLY 161.A N TYR 158.A O no hydrogen 3.138 N/A GLU 162.A N GLU 162.A OE1 no hydrogen 2.727 N/A CYS 163.A N TYR 158.A O no hydrogen 2.929 N/A GLU 165.A N GLY 161.A O no hydrogen 2.923 N/A TRP 166.A N GLU 162.A O no hydrogen 2.969 N/A LEU 167.A N CYS 163.A O no hydrogen 3.053 N/A HIS 168.A N VAL 164.A O no hydrogen 3.106 N/A HIS 168.A ND1 VAL 164.A O no hydrogen 3.057 N/A ARG 169.A N GLU 165.A O no hydrogen 3.198 N/A ARG 169.A NE GLU 54.A OE1 no hydrogen 2.709 N/A ARG 169.A NH2 GLU 54.A OE1 no hydrogen 3.175 N/A ARG 169.A NH2 GLU 54.A OE2 no hydrogen 3.164 N/A TYR 170.A N TRP 166.A O no hydrogen 2.909 N/A TYR 170.A OH TYR 58.A OH no hydrogen 2.594 N/A LEU 171.A N LEU 167.A O no hydrogen 2.995 N/A LYS 172.A N HIS 168.A O no hydrogen 3.048 N/A ASN 173.A N ARG 169.A O no hydrogen 2.817 N/A GLY 174.A N TYR 170.A O no hydrogen 2.644 N/A ASN 175.A N LYS 172.A O no hydrogen 3.511 N/A THR 177.A N GLY 174.A O no hydrogen 2.950 N/A THR 177.A OG1 GLY 174.A O no hydrogen 3.420 N/A LEU 178.A N GLY 174.A O no hydrogen 2.953 N/A LEU 179.A N ASN 175.A O no hydrogen 3.080 N/A ARG 180.A N THR 177.A O no hydrogen 3.332 N/A ARG 180.A NH1 ASP 182.A OD1 no hydrogen 3.310 N/A ARG 180.A NH1 ASP 182.A OD2 no hydrogen 2.948 N/A ARG 180.A NH2 ASP 182.A OD1 no hydrogen 3.068 N/A ASP 182.A N TYR 208.A O no hydrogen 2.853 N/A LYS 185.A N LEU 205.A O no hydrogen 2.906 N/A HIS 187.A N TRP 203.A O no hydrogen 3.205 N/A THR 189.A N ARG 201.A O no hydrogen 2.832 N/A THR 189.A OG1 ARG 201.A O no hydrogen 3.465 N/A HIS 190.A NE2 GLU 253.A OE1 no hydrogen 2.756 N/A HIS 191.A N THR 199.A O no hydrogen 2.901 N/A ARG 193.A NH1 SER 194.A OG no hydrogen 2.984 N/A SER 194.A N GLU 197.A O no hydrogen 3.123 N/A GLU 197.A N SER 194.A O no hydrogen 2.814 N/A VAL 198.A N VAL 248.A O no hydrogen 2.810 N/A THR 199.A N HIS 191.A O no hydrogen 2.915 N/A LEU 200.A N VAL 246.A O no hydrogen 2.828 N/A ARG 201.A N THR 189.A O no hydrogen 3.020 N/A ARG 201.A NH1 SER 245.A OG no hydrogen 3.139 N/A CYS 202.A N ALA 244.A O no hydrogen 2.853 N/A TRP 203.A N HIS 187.A O no hydrogen 2.848 N/A TRP 203.A NE1 THR 189.A OG1 no hydrogen 2.714 N/A ALA 204.A N LYS 242.A O no hydrogen 2.836 N/A LEU 205.A N LYS 185.A O no hydrogen 2.840 N/A PHE 207.A N PHE 240.A O no hydrogen 3.217 N/A TYR 208.A N ASP 182.A O no hydrogen 2.941 N/A THR 213.A N TYR 261.A O no hydrogen 3.023 N/A THR 215.A N ARG 259.A O no hydrogen 2.934 N/A THR 215.A OG1 GLU 222.A OE1 no hydrogen 3.506 N/A TRP 216.A NE1 ALA 244.A O no hydrogen 3.017 N/A GLN 217.A N THR 257.A O no hydrogen 2.834 N/A LEU 218.A N GLU 221.A O no hydrogen 3.012 N/A GLU 221.A N LEU 218.A O no hydrogen 2.949 N/A LEU 223.A N TRP 216.A O no hydrogen 2.723 N/A THR 224.A OG1 GLU 222.A O no hydrogen 3.527 N/A ASP 226.A N LEU 223.A O no hydrogen 3.230 N/A GLU 228.A N SER 245.A O no hydrogen 2.797 N/A VAL 230.A N TRP 243.A O no hydrogen 3.048 N/A ARG 233.A N GLN 241.A O no hydrogen 3.095 N/A ALA 235.A N THR 239.A O no hydrogen 2.825 N/A THR 239.A N ASP 237.A OD1 no hydrogen 2.991 N/A THR 239.A OG1 ASP 237.A OD1 no hydrogen 2.763 N/A PHE 240.A N PHE 207.A O no hydrogen 2.777 N/A GLN 241.A N ARG 233.A O no hydrogen 2.845 N/A LYS 242.A N ALA 204.A O no hydrogen 2.945 N/A LYS 242.A NZ VAL 230.A O no hydrogen 2.808 N/A LYS 242.A NZ THR 232.A OG1 no hydrogen 2.848 N/A ALA 244.A N CYS 202.A O no hydrogen 3.027 N/A SER 245.A N GLU 228.A O no hydrogen 2.881 N/A VAL 246.A N LEU 200.A O no hydrogen 2.948 N/A VAL 248.A N VAL 198.A O no hydrogen 2.712 N/A LEU 250.A N GLY 196.A O no hydrogen 2.928 N/A GLY 251.A N GLU 253.A OE2 no hydrogen 2.907 N/A LYS 252.A N PRO 249.A O no hydrogen 2.971 N/A GLU 253.A N GLU 253.A OE2 no hydrogen 2.863 N/A GLN 254.A NE2 TRP 273.A O no hydrogen 2.871 N/A ASN 255.A N LYS 252.A O no hydrogen 2.937 N/A TYR 256.A N GLU 253.A O no hydrogen 3.172 N/A THR 257.A N GLN 217.A O no hydrogen 3.139 N/A CYS 258.A N LEU 271.A O no hydrogen 2.753 N/A CYS 258.A SG THR 215.A O no hydrogen 3.685 N/A CYS 258.A SG ARG 259.A O no hydrogen 3.936 N/A ARG 259.A N THR 215.A O no hydrogen 2.816 N/A ARG 259.A NH2 PRO 268.A O no hydrogen 3.008 N/A VAL 260.A N LEU 269.A O no hydrogen 3.025 N/A TYR 261.A N THR 213.A O no hydrogen 2.872 N/A HIS 262.A NE2 TYR 208.A O no hydrogen 3.148 N/A LEU 265.A N HIS 262.A O no hydrogen 2.867 N/A LEU 269.A N VAL 260.A O no hydrogen 3.000 N/A LEU 271.A N CYS 258.A O no hydrogen 2.708 N/A