Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6i5d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N GLY 33.A O no hydrogen 2.862 N/A ASN 7.A N THR 35.A O no hydrogen 2.754 N/A SER 9.A N ASN 7.A OD1 no hydrogen 3.207 N/A SER 9.A OG ASN 7.A OD1 no hydrogen 2.733 N/A TRP 10.A N ASN 7.A O no hydrogen 3.455 N/A TRP 10.A NE1 GLU 239.A OE2 no hydrogen 2.979 N/A ASN 11.A N LYS 8.A O no hydrogen 3.008 N/A ALA 12.A N SER 9.A O no hydrogen 3.396 N/A HIS 13.A N TRP 10.A O no hydrogen 2.980 N/A HIS 13.A ND1 GLU 234.A OE1 no hydrogen 3.109 N/A HIS 13.A NE2 GLN 238.A OE1 no hydrogen 2.770 N/A PHE 14.A N ASN 11.A O no hydrogen 3.018 N/A THR 15.A N ASN 11.A O no hydrogen 2.877 N/A THR 15.A OG1 ASN 11.A O no hydrogen 3.253 N/A THR 15.A OG1 ALA 12.A O no hydrogen 3.323 N/A GLU 16.A N ALA 12.A O no hydrogen 2.880 N/A HIS 17.A N PHE 14.A O no hydrogen 3.188 N/A HIS 17.A NE2 GLU 234.A OE2 no hydrogen 2.873 N/A LYS 18.A N THR 15.A O no hydrogen 3.052 N/A SER 19.A N PHE 14.A O no hydrogen 2.872 N/A SER 19.A OG HIS 17.A O no hydrogen 2.954 N/A VAL 22.A N ASN 216.A O no hydrogen 2.900 N/A VAL 23.A N ASN 36.A OD1 no hydrogen 2.832 N/A VAL 24.A N ALA 214.A O no hydrogen 2.878 N/A LEU 25.A N PHE 34.A O no hydrogen 2.792 N/A TRP 26.A N PHE 212.A O no hydrogen 2.873 N/A TRP 26.A NE1 GLN 31.A OE1.A no hydrogen 3.256 N/A ASN 27.A N GLN 32.A O no hydrogen 2.862 N/A GLU 28.A N VAL 210.A O no hydrogen 3.069 N/A ASN 29.A N ASN 209.A OD1 no hydrogen 3.019 N/A ASN 29.A ND2 ASP 208.A O no hydrogen 2.690 N/A LYS 30.A N ASN 27.A OD1 no hydrogen 3.062 N/A GLN 31.A N GLU 28.A O no hydrogen 3.314 N/A GLN 32.A N ASN 27.A O no hydrogen 3.403 N/A GLY 33.A N GLU 3.A O no hydrogen 2.712 N/A PHE 34.A N LEU 25.A O no hydrogen 2.865 N/A THR 35.A N GLN 5.A O no hydrogen 3.015 N/A THR 35.A OG1 VAL 23.A O no hydrogen 2.867 N/A THR 35.A OG1 ASN 37.A O no hydrogen 3.560 N/A ASN 36.A ND2 ASN 11.A OD1 no hydrogen 2.863 N/A ASN 36.A ND2 GLY 21.A O no hydrogen 3.214 N/A ASN 37.A N THR 35.A OG1 no hydrogen 3.202 N/A LEU 38.A N GLU 6.A OE1 no hydrogen 2.929 N/A ARG 40.A N ASN 37.A OD1 no hydrogen 2.966 N/A ARG 40.A NE ASN 216.A OD1 no hydrogen 2.940 N/A ARG 40.A NH1 ASN 216.A OD1 no hydrogen 2.996 N/A ARG 40.A NH1 ASP 218.A OD1 no hydrogen 2.911 N/A ARG 40.A NH2 ASP 218.A OD1 no hydrogen 2.862 N/A ALA 41.A N ASN 37.A O no hydrogen 2.885 N/A ASN 42.A N LYS 39.A O no hydrogen 3.117 N/A ASN 42.A ND2 LEU 38.A O no hydrogen 3.103 N/A GLN 43.A N ARG 40.A O no hydrogen 3.011 N/A PHE 45.A N ILE 143.A O no hydrogen 2.949 N/A ALA 48.A N TRP 136.A O no hydrogen 2.962 N/A SER 49.A OG THR 188.A O no hydrogen 2.630 N/A THR 50.A N PRO 47.A O no hydrogen 3.033 N/A THR 50.A OG1 PRO 47.A O no hydrogen 2.689 N/A PHE 51.A N ALA 48.A O no hydrogen 2.951 N/A LYS 52.A N SER 49.A O no hydrogen 3.311 N/A LYS 52.A NZ.A MET 94.A O no hydrogen 2.789 N/A LYS 52.A NZ.A SER 97.A OG no hydrogen 2.791 N/A LYS 52.A NZ.A LYS 187.A O no hydrogen 3.037 N/A LYS 52.A NZ.B SER 49.A O no hydrogen 2.816 N/A ILE 53.A N THR 50.A O no hydrogen 3.384 N/A ASN 55.A N PHE 51.A O no hydrogen 2.964 N/A ASN 55.A ND2 TYR 102.A O no hydrogen 3.222 N/A SER 56.A N LYS 52.A O no hydrogen 2.966 N/A SER 56.A OG.A LYS 52.A O no hydrogen 2.831 N/A SER 56.A OG.B LYS 52.A O no hydrogen 2.712 N/A SER 56.A OG.B ILE 53.A O no hydrogen 3.125 N/A LEU 57.A N ILE 53.A O no hydrogen 3.061 N/A ILE 58.A N PRO 54.A O no hydrogen 3.009 N/A ALA 59.A N ASN 55.A O no hydrogen 2.982 N/A LEU 60.A N SER 56.A O no hydrogen 2.941 N/A ASP 61.A N LEU 57.A O no hydrogen 2.974 N/A LEU 62.A N ILE 58.A O no hydrogen 2.972 N/A GLY 63.A N LEU 60.A O no hydrogen 3.091 N/A VAL 64.A N ALA 59.A O no hydrogen 2.861 N/A VAL 65.A N ALA 59.A O no hydrogen 3.166 N/A LYS 66.A N GLN 70.A OE1 no hydrogen 2.755 N/A LYS 66.A NZ GLY 63.A O no hydrogen 2.800 N/A GLU 68.A N GLU 68.A OE2 no hydrogen 2.702 N/A HIS 69.A N ASP 67.A OD1 no hydrogen 2.803 N/A GLN 70.A N ASP 67.A O no hydrogen 3.372 N/A GLN 70.A N ASP 67.A OD1 no hydrogen 3.026 N/A PHE 72.A N HIS 88.A O no hydrogen 2.736 N/A LYS 73.A NZ ASP 87.A OD2 no hydrogen 3.285 N/A TRP 74.A N ASP 87.A OD1 no hydrogen 2.957 N/A TRP 74.A NE1 GLN 77.A O no hydrogen 2.873 N/A GLN 77.A N ASP 75.A OD1 no hydrogen 3.024 N/A ARG 79.A N ASN 85.A OD1 no hydrogen 2.868 N/A ARG 79.A NH1 ASP 75.A OD2 no hydrogen 2.776 N/A ARG 79.A NH2 ASP 75.A OD1 no hydrogen 2.938 N/A ARG 79.A NH2 ASP 75.A OD2 no hydrogen 3.379 N/A TRP 84.A N ILE 81.A O no hydrogen 2.993 N/A TRP 84.A NE1 TYR 96.A O no hydrogen 2.970 N/A ASN 85.A N ALA 82.A O no hydrogen 3.119 N/A ASN 85.A ND2 ARG 79.A O no hydrogen 3.029 N/A HIS 88.A N PHE 72.A O no hydrogen 3.071 N/A HIS 88.A ND1 THR 92.A OG1 no hydrogen 2.863 N/A HIS 88.A NE2 THR 83.A O no hydrogen 2.747 N/A ASN 89.A N THR 92.A OG1 no hydrogen 3.131 N/A THR 92.A N ASN 89.A OD1 no hydrogen 2.945 N/A THR 92.A OG1 HIS 88.A ND1 no hydrogen 2.863 N/A THR 92.A OG1 ASN 89.A O no hydrogen 3.520 N/A THR 92.A OG1 ASN 89.A OD1 no hydrogen 3.484 N/A ALA 93.A N ASN 89.A O no hydrogen 2.854 N/A MET 94.A N LEU 90.A O no hydrogen 3.072 N/A LYS 95.A N ILE 91.A O no hydrogen 3.001 N/A LYS 95.A NZ TYR 96.A OH no hydrogen 3.365 N/A TYR 96.A N THR 92.A O no hydrogen 2.940 N/A SER 97.A N MET 94.A O no hydrogen 3.296 N/A VAL 98.A N ALA 93.A O no hydrogen 2.956 N/A VAL 99.A N SER 97.A O no hydrogen 2.873 N/A VAL 101.A N VAL 98.A O no hydrogen 2.933 N/A TYR 102.A N VAL 98.A O no hydrogen 3.350 N/A GLN 103.A N VAL 99.A O no hydrogen 2.814 N/A GLN 103.A NE2 ASP 133.A O no hydrogen 2.979 N/A GLU 104.A N PRO 100.A O no hydrogen 3.114 N/A PHE 105.A N VAL 101.A O no hydrogen 2.964 N/A ALA 106.A N TYR 102.A O no hydrogen 2.962 N/A ARG 107.A N GLN 103.A O no hydrogen 2.964 N/A ARG 107.A NH1 ASP 133.A OD2 no hydrogen 3.080 N/A ARG 107.A NH2 GLU 104.A OE1 no hydrogen 2.755 N/A GLN 108.A N GLU 104.A O no hydrogen 3.129 N/A ILE 109.A N PHE 105.A O no hydrogen 2.887 N/A GLY 110.A N ALA 106.A O no hydrogen 2.890 N/A ARG 113.A NE ILE 109.A O no hydrogen 2.911 N/A ARG 113.A NH1 GLN 108.A O no hydrogen 2.867 N/A ARG 113.A NH1 ILE 109.A O no hydrogen 3.399 N/A MET 114.A N GLY 110.A O no hydrogen 2.994 N/A SER 115.A N GLU 111.A O no hydrogen 3.015 N/A LYS 116.A N ALA 112.A O no hydrogen 3.021 N/A MET 117.A N ARG 113.A O no hydrogen 2.967 N/A LEU 118.A N MET 114.A O no hydrogen 2.993 N/A HIS 119.A N SER 115.A O no hydrogen 3.019 N/A HIS 119.A ND1.A SER 115.A O no hydrogen 2.783 N/A ALA 120.A N LYS 116.A O no hydrogen 2.944 N/A PHE 121.A N MET 117.A O no hydrogen 2.869 N/A ASP 122.A N HIS 119.A O no hydrogen 3.020 N/A TYR 123.A N LEU 118.A O no hydrogen 3.015 N/A ASN 125.A N ARG 142.A O no hydrogen 2.883 N/A ASN 125.A ND2 GLY 140.A O no hydrogen 3.020 N/A GLU 126.A N TYR 123.A O no hydrogen 2.958 N/A ASP 127.A N ASN 125.A OD1 no hydrogen 3.183 N/A SER 129.A N ASP 127.A OD1 no hydrogen 2.972 N/A SER 129.A OG ASP 127.A OD1 no hydrogen 3.406 N/A SER 134.A N ASN 131.A O no hydrogen 3.022 N/A SER 134.A OG ASP 138.A OD1 no hydrogen 2.895 N/A SER 134.A OG ASP 138.A OD2 no hydrogen 3.561 N/A LEU 137.A N SER 134.A O no hydrogen 2.823 N/A ASP 138.A N SER 134.A O no hydrogen 2.954 N/A GLY 139.A N PHE 135.A O no hydrogen 2.873 N/A GLY 140.A N SER 129.A O no hydrogen 2.869 N/A ARG 142.A N ASN 125.A OD1 no hydrogen 2.940 N/A ARG 142.A NH1 GLY 139.A O no hydrogen 2.841 N/A ARG 142.A NH1 ILE 141.A O no hydrogen 2.933 N/A ILE 143.A N PHE 45.A O no hydrogen 2.886 N/A SER 144.A N GLU 147.A OE1 no hydrogen 2.996 N/A SER 144.A OG THR 146.A OG1 no hydrogen 3.294 N/A THR 146.A N ALA 41.A O no hydrogen 3.066 N/A THR 146.A OG1 ASN 42.A OD1 no hydrogen 2.837 N/A THR 146.A OG1 SER 144.A OG no hydrogen 3.294 N/A GLU 147.A N SER 144.A OG no hydrogen 3.138 N/A GLN 148.A N SER 144.A O no hydrogen 2.938 N/A GLN 148.A NE2 THR 50.A OG1 no hydrogen 2.937 N/A ILE 149.A N ALA 145.A O no hydrogen 3.052 N/A SER 150.A N THR 146.A O no hydrogen 3.050 N/A SER 150.A OG THR 146.A O no hydrogen 3.476 N/A PHE 151.A N GLU 147.A O no hydrogen 2.990 N/A LEU 152.A N GLN 148.A O no hydrogen 2.866 N/A ARG 153.A N ILE 149.A O no hydrogen 2.880 N/A ARG 153.A NE GLU 28.A OE2 no hydrogen 2.748 N/A ARG 153.A NH1 GLU 28.A OE1 no hydrogen 2.993 N/A ARG 153.A NH1 GLU 28.A OE2 no hydrogen 3.484 N/A LYS 154.A N SER 150.A O no hydrogen 3.207 N/A LEU 155.A N PHE 151.A O no hydrogen 3.050 N/A TYR 156.A N LEU 152.A O no hydrogen 2.815 N/A HIS 157.A N ARG 153.A O no hydrogen 3.064 N/A HIS 157.A NE2 GLU 28.A OE1 no hydrogen 2.757 N/A ASN 158.A N LEU 155.A O no hydrogen 3.019 N/A LYS 159.A N LYS 154.A O no hydrogen 2.798 N/A LEU 160.A N GLN 167.A OE1 no hydrogen 3.070 N/A VAL 162.A N LEU 160.A O no hydrogen 2.836 N/A SER 163.A N ASP 61.A OD1 no hydrogen 2.871 N/A SER 163.A OG SER 166.A OG.A no hydrogen 3.171 N/A SER 163.A OG SER 166.A OG.B no hydrogen 2.783 N/A ARG 165.A NH1 LYS 66.A O no hydrogen 2.841 N/A ARG 165.A NH2 LYS 66.A O no hydrogen 3.449 N/A SER 166.A N SER 163.A OG no hydrogen 2.989 N/A SER 166.A OG.A SER 163.A O no hydrogen 2.733 N/A SER 166.A OG.A SER 163.A OG no hydrogen 3.171 N/A SER 166.A OG.B SER 163.A OG no hydrogen 2.783 N/A GLN 167.A N SER 163.A O no hydrogen 3.296 N/A GLN 167.A NE2 LEU 160.A O no hydrogen 3.283 N/A GLN 167.A NE2 VAL 162.A O no hydrogen 3.172 N/A GLN 167.A NE2 SER 163.A O no hydrogen 3.329 N/A ARG 168.A N GLU 164.A O no hydrogen 2.873 N/A ARG 168.A NE GLU 164.A OE2 no hydrogen 2.838 N/A ARG 168.A NH2 GLU 164.A OE2 no hydrogen 3.067 N/A ILE 169.A N ARG 165.A O no hydrogen 2.917 N/A VAL 170.A N SER 166.A O no hydrogen 3.044 N/A LYS 171.A N GLN 167.A O no hydrogen 3.008 N/A LYS 171.A NZ LEU 155.A O no hydrogen 3.073 N/A LYS 171.A NZ TYR 156.A O no hydrogen 2.964 N/A LYS 171.A NZ ASN 158.A OD1 no hydrogen 2.715 N/A GLN 172.A N ARG 168.A O no hydrogen 3.035 N/A ALA 173.A N ILE 169.A O no hydrogen 2.979 N/A MET 174.A N VAL 170.A O no hydrogen 2.897 N/A LEU 175.A N GLN 172.A O no hydrogen 3.118 N/A THR 176.A N ILE 184.A O no hydrogen 2.960 N/A GLU 177.A N ILE 184.A O no hydrogen 3.316 N/A ASN 179.A N TYR 182.A O no hydrogen 3.075 N/A ASP 181.A N ASN 179.A OD1 no hydrogen 2.833 N/A TYR 182.A N ASN 179.A OD1 no hydrogen 2.991 N/A TYR 182.A OH GLU 177.A OE2 no hydrogen 3.069 N/A ILE 183.A N GLU 205.A O no hydrogen 3.162 N/A ILE 184.A N GLU 177.A O no hydrogen 2.801 N/A ARG 185.A N TRP 203.A O no hydrogen 2.984 N/A ARG 185.A NE GLU 205.A OE1 no hydrogen 2.836 N/A ARG 185.A NH1 LYS 171.A O no hydrogen 3.011 N/A ALA 186.A N MET 174.A O no hydrogen 2.766 N/A LYS 187.A NZ LEU 175.A O no hydrogen 2.886 N/A THR 188.A OG1 VAL 201.A O no hydrogen 2.781 N/A ARG 193.A NH1 ASP 138.A OD2 no hydrogen 2.922 N/A GLY 198.A N MET 217.A O no hydrogen 2.971 N/A TRP 199.A NE1 LEU 46.A O no hydrogen 2.856 N/A TRP 200.A N MET 215.A O no hydrogen 3.027 N/A VAL 201.A N THR 188.A OG1 no hydrogen 3.053 N/A GLY 202.A N PHE 213.A O no hydrogen 2.976 N/A TRP 203.A N ARG 185.A O no hydrogen 2.945 N/A TRP 203.A NE1 GLU 205.A OE1 no hydrogen 2.985 N/A VAL 204.A N TRP 211.A O no hydrogen 2.834 N/A GLU 205.A N ILE 183.A O no hydrogen 2.803 N/A LEU 206.A N ASN 209.A O no hydrogen 2.826 N/A ASN 209.A ND2 ASN 27.A OD1 no hydrogen 2.920 N/A VAL 210.A N ASN 209.A OD1 no hydrogen 2.932 N/A TRP 211.A N VAL 204.A O no hydrogen 2.947 N/A PHE 212.A N TRP 26.A O no hydrogen 2.958 N/A PHE 213.A N GLY 202.A O no hydrogen 2.854 N/A ALA 214.A N VAL 24.A O no hydrogen 2.957 N/A MET 215.A N TRP 200.A O no hydrogen 2.895 N/A ASN 216.A N VAL 22.A O no hydrogen 3.050 N/A MET 217.A N GLY 198.A O no hydrogen 2.953 N/A ASP 218.A N GLN 20.A O no hydrogen 2.919 N/A MET 219.A N LYS 196.A O no hydrogen 3.196 N/A ARG 228.A N GLY 224.A O no hydrogen 2.966 N/A ARG 228.A NE TRP 199.A O no hydrogen 2.909 N/A ARG 228.A NH1 GLY 189.A O no hydrogen 2.740 N/A GLN 229.A N LEU 225.A O no hydrogen 2.892 N/A ALA 230.A N GLY 226.A O no hydrogen 2.988 N/A ILE 231.A N LEU 227.A O no hydrogen 2.918 N/A THR 232.A N ARG 228.A O no hydrogen 3.167 N/A THR 232.A OG1 ARG 228.A O no hydrogen 2.822 N/A LYS 233.A N GLN 229.A O no hydrogen 2.885 N/A LYS 233.A NZ GLU 177.A OE1 no hydrogen 3.157 N/A GLU 234.A N ALA 230.A O no hydrogen 2.850 N/A VAL 235.A N ILE 231.A O no hydrogen 3.049 N/A LEU 236.A N THR 232.A O no hydrogen 2.930 N/A LYS 237.A N LYS 233.A O no hydrogen 2.840 N/A GLN 238.A N GLU 234.A O no hydrogen 2.937 N/A GLN 238.A NE2 SER 9.A OG no hydrogen 3.120 N/A GLU 239.A N VAL 235.A O no hydrogen 3.005 N/A LYS 240.A N LYS 237.A O no hydrogen 3.058 N/A ILE 241.A N LEU 236.A O no hydrogen 2.908 N/A