Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wui_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A N TRP 171.A O no hydrogen 3.257 N/A TYR 3.A OH ASP 55.A OD2 no hydrogen 2.660 N/A ILE 4.A N ASP 24.A OD2 no hydrogen 2.827 N/A LYS 5.A N VAL 173.A O no hydrogen 2.946 N/A LYS 5.A NZ GLN 81.A OE1 no hydrogen 2.836 N/A LYS 5.A NZ ASP 174.A OD1 no hydrogen 2.701 N/A VAL 6.A N.A ALA 25.A O no hydrogen 3.053 N/A VAL 6.A N.B ALA 25.A O no hydrogen 3.044 N/A CYS 7.A N VAL 175.A O no hydrogen 2.802 N/A LEU 9.A N GLY 27.A O no hydrogen 3.052 N/A THR 10.A OG1 GLY 184.A O no hydrogen 2.666 N/A ALA 14.A N ASP 11.A O no hydrogen 3.143 N/A ALA 14.A N ASP 11.A OD1 no hydrogen 3.175 N/A ILE 15.A N ASP 11.A O no hydrogen 3.140 N/A ASP 16.A N PRO 12.A O no hydrogen 2.803 N/A ALA 17.A N HIS 13.A O no hydrogen 3.433 N/A ALA 18.A N ALA 14.A O no hydrogen 2.955 N/A GLN 19.A N.A ILE 15.A O no hydrogen 2.860 N/A GLN 19.A N.B ILE 15.A O no hydrogen 2.858 N/A GLN 19.A NE2.A ASP 51.A OD1 no hydrogen 3.022 N/A ALA 20.A N ASP 16.A O no hydrogen 2.909 N/A ALA 21.A N ALA 17.A O no hydrogen 3.001 N/A HIS 22.A N GLN 19.A O.A no hydrogen 3.097 N/A HIS 22.A N GLN 19.A O.B no hydrogen 2.904 N/A VAL 23.A N ALA 18.A O no hydrogen 3.171 N/A ASP 24.A N ILE 4.A O no hydrogen 2.882 N/A ALA 25.A N ILE 4.A O no hydrogen 3.167 N/A ILE 26.A N ASP 55.A O no hydrogen 2.968 N/A GLY 27.A N VAL 6.A O.A no hydrogen 2.952 N/A GLY 27.A N VAL 6.A O.B no hydrogen 2.879 N/A PHE 28.A N VAL 57.A O no hydrogen 2.826 N/A HIS 30.A N VAL 59.A O no hydrogen 2.850 N/A HIS 30.A ND1 LEU 38.A O no hydrogen 2.879 N/A ALA 31.A N HIS 37.A ND1 no hydrogen 2.861 N/A SER 34.A N ALA 31.A O no hydrogen 2.853 N/A ARG 36.A N.A SER 34.A OG no hydrogen 2.907 N/A ARG 36.A N.B SER 34.A OG no hydrogen 2.901 N/A ARG 36.A NE.A GLU 180.A OE2 no hydrogen 2.878 N/A ARG 36.A NH2.A GLU 180.A OE1 no hydrogen 2.813 N/A ARG 36.A NH2.A GLU 180.A OE2 no hydrogen 3.528 N/A ARG 36.A NH2.B GLU 180.A OE2 no hydrogen 3.185 N/A HIS 37.A N SER 34.A O no hydrogen 3.136 N/A LEU 38.A N VAL 29.A O no hydrogen 2.848 N/A ILE 43.A N THR 39.A O no hydrogen 2.949 N/A SER 44.A N.A PRO 40.A O no hydrogen 2.957 N/A SER 44.A N.B PRO 40.A O no hydrogen 2.965 N/A SER 44.A OG.B PRO 40.A O no hydrogen 3.150 N/A THR 45.A N PRO 41.A O no hydrogen 3.155 N/A THR 45.A OG1 HIS 42.A O no hydrogen 3.249 N/A LEU 46.A N HIS 42.A O no hydrogen 2.966 N/A THR 47.A N ILE 43.A O no hydrogen 2.906 N/A THR 47.A OG1 ILE 43.A O no hydrogen 2.851 N/A ALA 48.A N SER 44.A O.A no hydrogen 3.376 N/A ALA 48.A N SER 44.A O.B no hydrogen 3.189 N/A THR 49.A N LEU 46.A O no hydrogen 3.042 N/A THR 49.A OG1 LEU 46.A O no hydrogen 2.787 N/A VAL 50.A N THR 47.A O no hydrogen 3.184 N/A ASP 51.A N GLN 19.A OE1.A no hydrogen 2.948 N/A THR 53.A N ASP 51.A OD1 no hydrogen 2.906 N/A THR 53.A OG1 ASP 51.A OD1 no hydrogen 2.756 N/A ILE 54.A N ASP 51.A O no hydrogen 3.349 N/A ASP 55.A N ASP 24.A O no hydrogen 2.899 N/A THR 56.A N SER 78.A OG no hydrogen 3.029 N/A THR 56.A OG1 SER 78.A OG no hydrogen 3.216 N/A VAL 57.A N ILE 26.A O no hydrogen 2.903 N/A LEU 58.A N VAL 79.A O no hydrogen 2.887 N/A VAL 59.A N PHE 28.A O no hydrogen 2.909 N/A VAL 60.A N GLN 81.A O no hydrogen 3.040 N/A ALA 68.A N PRO 64.A O no hydrogen 2.927 N/A LEU 69.A N ILE 65.A O no hydrogen 2.974 N/A ALA 70.A N ALA 66.A O no hydrogen 3.048 N/A LEU 71.A N ASP 67.A O no hydrogen 2.895 N/A ALA 72.A N ALA 68.A O no hydrogen 2.877 N/A GLU 73.A N.A LEU 69.A O no hydrogen 2.996 N/A GLU 73.A N.B LEU 69.A O no hydrogen 3.006 N/A SER 74.A N ALA 70.A O no hydrogen 2.921 N/A SER 74.A OG ALA 70.A O no hydrogen 3.365 N/A SER 74.A OG LEU 71.A O no hydrogen 3.381 N/A THR 75.A N LEU 71.A O no hydrogen 2.976 N/A THR 75.A OG1 LEU 71.A O no hydrogen 2.793 N/A THR 75.A OG1 ALA 72.A O no hydrogen 3.373 N/A GLY 76.A N ALA 72.A O no hydrogen 3.259 N/A GLY 76.A N GLU 73.A O.B no hydrogen 3.167 N/A SER 78.A N THR 56.A O no hydrogen 2.956 N/A SER 78.A N THR 56.A OG1 no hydrogen 3.029 N/A SER 78.A OG THR 56.A OG1 no hydrogen 3.216 N/A VAL 79.A N THR 56.A O no hydrogen 2.976 N/A LEU 80.A N ARG 100.A O no hydrogen 2.976 N/A GLN 81.A N LEU 58.A O no hydrogen 2.809 N/A LEU 82.A N TRP 102.A O no hydrogen 2.933 N/A HIS 83.A N VAL 60.A O no hydrogen 2.966 N/A HIS 83.A ND1 GLN 85.A OE1 no hydrogen 2.614 N/A GLN 85.A N GLN 85.A OE1 no hydrogen 2.829 N/A TYR 86.A N HIS 83.A O no hydrogen 3.208 N/A TYR 86.A OH THR 63.A O no hydrogen 2.612 N/A ASP 90.A N SER 87.A OG no hydrogen 2.965 N/A VAL 91.A N SER 87.A O no hydrogen 3.101 N/A ALA 92.A N ASP 88.A O no hydrogen 3.190 N/A TYR 93.A N ASP 89.A O no hydrogen 2.900 N/A ALA 94.A N ASP 90.A O no hydrogen 2.971 N/A ALA 95.A N VAL 91.A O no hydrogen 2.857 N/A ALA 96.A N ALA 92.A O no hydrogen 3.038 N/A ARG 97.A N ALA 94.A O no hydrogen 2.915 N/A ARG 97.A NH1 TYR 93.A O no hydrogen 3.003 N/A ARG 100.A NE GLU 121.A OE1 no hydrogen 2.955 N/A ARG 100.A NE GLU 121.A OE2 no hydrogen 3.152 N/A ARG 100.A NH1 ASP 55.A OD1 no hydrogen 3.023 N/A ARG 100.A NH2 ASP 55.A OD2 no hydrogen 3.301 N/A ARG 100.A NH2 GLU 121.A OE2 no hydrogen 2.946 N/A TRP 102.A N LEU 80.A O no hydrogen 2.869 N/A TRP 102.A NE1 GLU 121.A OE2 no hydrogen 2.791 N/A ARG 103.A N LEU 122.A O no hydrogen 3.056 N/A ARG 103.A NE GLU 120.A OE2 no hydrogen 2.966 N/A ARG 103.A NH1 ASN 112.A O no hydrogen 2.892 N/A ARG 103.A NH2 ASN 112.A O no hydrogen 3.010 N/A ARG 103.A NH2 GLU 120.A OE2 no hydrogen 2.945 N/A ALA 104.A N LEU 82.A O no hydrogen 2.918 N/A THR 105.A N LEU 124.A O.A no hydrogen 2.826 N/A THR 105.A N LEU 124.A O.B no hydrogen 2.978 N/A LEU 107.A N ASP 126.A O.A no hydrogen 3.059 N/A LEU 107.A N ASP 126.A O.B no hydrogen 2.933 N/A ALA 109.A N SER 106.A O no hydrogen 3.074 N/A SER 110.A N LEU 107.A O no hydrogen 3.112 N/A ASN 112.A ND2 TYR 118.A OH no hydrogen 3.069 N/A THR 114.A N ASN 112.A OD1 no hydrogen 2.933 N/A GLY 116.A N GLU 120.A OE2 no hydrogen 2.780 N/A ALA 117.A N THR 114.A O no hydrogen 3.277 N/A TYR 118.A N GLU 120.A OE1 no hydrogen 2.950 N/A GLY 119.A N GLY 116.A O no hydrogen 3.176 N/A GLU 120.A N GLU 120.A OE1 no hydrogen 2.785 N/A GLU 121.A N VAL 101.A O no hydrogen 2.832 N/A LEU 123.A N ARG 149.A O no hydrogen 3.175 N/A LEU 124.A N.A ARG 103.A O no hydrogen 2.819 N/A LEU 124.A N.B ARG 103.A O no hydrogen 2.833 N/A LEU 125.A N.A LEU 151.A O no hydrogen 2.872 N/A LEU 125.A N.B LEU 151.A O no hydrogen 2.919 N/A ASP 126.A N.A THR 105.A O no hydrogen 2.874 N/A ASP 126.A N.B THR 105.A O no hydrogen 2.765 N/A ALA 127.A N ALA 153.A O no hydrogen 2.825 N/A ALA 130.A N ALA 127.A O no hydrogen 3.134 N/A SER 132.A N GLN 129.A O no hydrogen 2.930 N/A SER 132.A OG GLN 129.A O no hydrogen 3.006 N/A TRP 136.A N ASP 163.A OD2.A no hydrogen 2.841 N/A TRP 136.A N ASP 163.A OD2.B no hydrogen 2.792 N/A TRP 136.A NE1 THR 168.A OG1 no hydrogen 3.110 N/A ASP 137.A N ALA 130.A O no hydrogen 2.830 N/A ALA 139.A N ASP 137.A OD1 no hydrogen 3.244 N/A ALA 140.A N ASP 137.A O no hydrogen 3.003 N/A LEU 141.A N PHE 138.A O no hydrogen 3.163 N/A ARG 144.A N LEU 141.A O no hydrogen 2.969 N/A ARG 144.A NH1 ALA 139.A O no hydrogen 3.064 N/A ARG 144.A NH1 LEU 141.A O no hydrogen 3.015 N/A ARG 145.A N ALA 142.A O no hydrogen 3.043 N/A ARG 145.A NE ALA 142.A O no hydrogen 2.947 N/A ARG 145.A NH1 THR 168.A O no hydrogen 2.884 N/A ARG 149.A NE GLU 121.A O no hydrogen 3.053 N/A ARG 149.A NH2 GLU 121.A O no hydrogen 3.295 N/A LEU 151.A N LEU 123.A O no hydrogen 2.902 N/A LEU 152.A N GLY 172.A O no hydrogen 2.899 N/A ALA 153.A N LEU 125.A O.A no hydrogen 2.964 N/A ALA 153.A N LEU 125.A O.B no hydrogen 3.092 N/A THR 157.A N ASN 160.A OD1 no hydrogen 2.849 N/A ASN 160.A N THR 157.A O no hydrogen 3.210 N/A ASN 160.A N THR 157.A OG1 no hydrogen 3.118 N/A ASN 160.A ND2 GLY 155.A O no hydrogen 3.117 N/A VAL 161.A N THR 157.A O no hydrogen 3.025 N/A ALA 164.A N ASN 160.A O no hydrogen 2.937 N/A ILE 165.A N VAL 161.A O no hydrogen 2.864 N/A THR 166.A N ALA 162.A O no hydrogen 2.869 N/A THR 166.A OG1 ALA 162.A O no hydrogen 2.770 N/A THR 167.A N ASP 163.A O.A no hydrogen 2.972 N/A THR 167.A N ASP 163.A O.B no hydrogen 3.068 N/A THR 167.A OG1 ASP 163.A O.A no hydrogen 2.942 N/A THR 167.A OG1 ASP 163.A O.B no hydrogen 2.715 N/A THR 168.A N ALA 164.A O no hydrogen 2.906 N/A SER 169.A N ILE 165.A O no hydrogen 2.883 N/A VAL 173.A N TYR 3.A O no hydrogen 2.775 N/A ASP 174.A N LEU 152.A O no hydrogen 2.908 N/A VAL 175.A N LYS 5.A O no hydrogen 3.019 N/A SER 176.A OG CYS 7.A O no hydrogen 3.174 N/A VAL 179.A N SER 176.A O no hydrogen 3.091 N/A GLU 180.A N SER 177.A O no hydrogen 3.184 N/A SER 181.A N VAL 185.A O no hydrogen 2.952 N/A SER 181.A OG VAL 185.A O no hydrogen 3.444 N/A GLY 184.A N GLU 180.A OE2 no hydrogen 3.024 N/A VAL 185.A N ALA 182.A O no hydrogen 2.782 N/A LYS 186.A NZ CYS 7.A O no hydrogen 2.881 N/A LYS 186.A NZ GLY 8.A O no hydrogen 2.878 N/A LYS 186.A NZ SER 176.A OG no hydrogen 2.882 N/A LYS 186.A NZ GLU 180.A OE2 no hydrogen 2.778 N/A ASP 187.A N.A VAL 179.A O no hydrogen 2.893 N/A ASP 187.A N.B VAL 179.A O no hydrogen 2.885 N/A ALA 189.A N ASP 187.A OD1.A no hydrogen 2.993 N/A LYS 190.A N ASP 187.A OD2.B no hydrogen 2.941 N/A LYS 190.A NZ GLU 180.A O no hydrogen 2.942 N/A ILE 191.A N ASP 187.A O.A no hydrogen 3.006 N/A ILE 191.A N ASP 187.A O.B no hydrogen 3.020 N/A ALA 192.A N PRO 188.A O no hydrogen 2.985 N/A ALA 193.A N ALA 189.A O no hydrogen 2.953 N/A PHE 194.A N LYS 190.A O no hydrogen 2.840 N/A VAL 195.A N ILE 191.A O no hydrogen 3.093 N/A GLN 196.A N ALA 192.A O no hydrogen 2.972 N/A ALA 197.A N ALA 193.A O no hydrogen 2.922 N/A ALA 198.A N PHE 194.A O no hydrogen 2.915 N/A ARG 199.A N VAL 195.A O no hydrogen 2.873 N/A ARG 199.A NH1 ALA 21.A O no hydrogen 2.875 N/A ARG 199.A NH2 HIS 22.A O no hydrogen 2.702 N/A GLY 200.A N GLN 196.A O no hydrogen 2.979 N/A VAL 201.A N ALA 198.A O no hydrogen 3.418 N/A CYS 203.A N ARG 199.A O no hydrogen 2.771 N/A