Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4crq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 3.A N GLN 230.A O no hydrogen 2.896 N/A VAL 5.A N VAL 228.A O no hydrogen 2.884 N/A TRP 6.A N VAL 228.A O no hydrogen 3.317 N/A TRP 6.A NE1 ASP 17.A OD2 no hydrogen 2.890 N/A GLN 7.A NE2 GLU 9.A OE2 no hydrogen 2.743 N/A ASP 8.A N VAL 226.A O no hydrogen 2.908 N/A PHE 10.A N ASP 8.A OD1 no hydrogen 3.030 N/A GLY 15.A N ASP 8.A OD2 no hydrogen 2.865 N/A TRP 18.A NE1 ASP 8.A OD2 no hydrogen 2.854 N/A VAL 19.A N LYS 69.A O no hydrogen 2.743 N/A GLU 21.A N ARG 67.A O no hydrogen 2.890 N/A GLY 23.A N TYR 37.A O no hydrogen 2.838 N/A TRP 29.A N MET 24.A O no hydrogen 2.949 N/A TRP 29.A NE1 GLY 23.A O no hydrogen 2.893 N/A GLY 30.A N TYR 26.A O no hydrogen 2.815 N/A ASN 31.A N GLY 28.A O no hydrogen 2.878 N/A ASN 32.A N ASN 27.A O no hydrogen 2.840 N/A ASN 32.A ND2 ASP 206.A OD1 no hydrogen 2.908 N/A GLU 33.A N GLY 28.A O no hydrogen 3.128 N/A LEU 34.A N VAL 203.A O no hydrogen 2.767 N/A GLN 35.A N GLN 35.A OE1 no hydrogen 2.893 N/A GLN 35.A NE2 GLU 33.A OE1 no hydrogen 2.945 N/A TYR 36.A N TYR 63.A O no hydrogen 2.791 N/A TYR 37.A N GLY 23.A O no hydrogen 2.994 N/A ARG 38.A N SER 65.A O no hydrogen 2.879 N/A ARG 39.A NH1 ARG 39.A O no hydrogen 3.021 N/A ARG 39.A NH1 ALA 42.A O no hydrogen 2.895 N/A ASN 41.A N ARG 38.A O no hydrogen 3.411 N/A ASN 41.A ND2 THR 52.A O no hydrogen 2.900 N/A ASN 41.A ND2 THR 64.A OG1 no hydrogen 3.001 N/A ALA 42.A N ARG 39.A O no hydrogen 3.116 N/A ALA 43.A N VAL 50.A O no hydrogen 3.008 N/A GLU 45.A N ASN 48.A O no hydrogen 2.905 N/A ASN 48.A N GLU 45.A O no hydrogen 2.966 N/A ASN 48.A ND2 ASN 46.A O no hydrogen 3.064 N/A LEU 49.A N VAL 223.A O no hydrogen 2.811 N/A VAL 50.A N ALA 43.A O no hydrogen 2.747 N/A ILE 51.A N MET 221.A O no hydrogen 2.933 N/A THR 52.A N ASN 41.A O no hydrogen 2.893 N/A ALA 53.A N ALA 219.A O no hydrogen 2.899 N/A LYS 54.A N THR 64.A O no hydrogen 2.848 N/A GLU 56.A N GLN 62.A O no hydrogen 2.978 N/A PHE 58.A N ALA 61.A O no hydrogen 2.869 N/A ALA 61.A N PHE 58.A O no hydrogen 2.927 N/A THR 64.A N LYS 54.A O no hydrogen 3.061 N/A THR 64.A OG1 GLU 56.A OE1 no hydrogen 2.657 N/A SER 65.A N TYR 36.A O no hydrogen 3.373 N/A SER 65.A OG MET 201.A O no hydrogen 2.607 N/A ARG 67.A NE GLU 21.A OE1 no hydrogen 2.680 N/A MET 68.A N LEU 199.A O no hydrogen 2.867 N/A LYS 69.A N VAL 19.A O no hydrogen 2.861 N/A LYS 69.A NZ GLU 21.A OE2 no hydrogen 3.451 N/A LYS 69.A NZ GLN 71.A OE1 no hydrogen 2.721 N/A THR 70.A N ILE 197.A O no hydrogen 2.833 N/A THR 70.A OG1 LYS 74.A O no hydrogen 2.702 N/A ARG 73.A N THR 70.A O no hydrogen 2.913 N/A ARG 73.A NH1 PRO 16.A O no hydrogen 3.000 N/A LYS 74.A N THR 70.A O no hydrogen 2.904 N/A SER 75.A OG GLU 194.A OE1 no hydrogen 2.636 N/A PHE 76.A N PHE 195.A O no hydrogen 2.904 N/A LYS 77.A NZ GLN 192.A O no hydrogen 3.115 N/A TYR 78.A OH GLN 192.A OE1 no hydrogen 2.394 N/A GLY 79.A N TRP 162.A O no hydrogen 2.927 N/A LYS 80.A N TYR 229.A O no hydrogen 2.772 N/A ILE 81.A N VAL 160.A O no hydrogen 3.004 N/A GLU 82.A N ARG 227.A O no hydrogen 2.913 N/A ALA 83.A N TYR 158.A O no hydrogen 3.026 N/A ARG 84.A N TYR 225.A O no hydrogen 3.240 N/A ARG 84.A NH1 ASP 224.A OD2 no hydrogen 2.801 N/A ILE 85.A N HIS 156.A O no hydrogen 2.992 N/A ALA 86.A N LEU 222.A O no hydrogen 2.907 N/A LEU 87.A N PRO 152.A O no hydrogen 2.914 N/A GLY 90.A N ASN 122.A O no hydrogen 3.512 N/A GLY 92.A N ASN 122.A OD1 no hydrogen 2.695 N/A LEU 93.A N GLY 90.A O no hydrogen 3.022 N/A TRP 94.A N ALA 202.A O no hydrogen 2.908 N/A ALA 96.A N ASN 200.A O no hydrogen 2.968 N/A PHE 97.A N MET 118.A O no hydrogen 2.880 N/A TRP 98.A N LEU 198.A O no hydrogen 2.986 N/A TRP 98.A NE1 ASN 200.A OD1 no hydrogen 2.741 N/A MET 99.A N ILE 115.A O no hydrogen 2.751 N/A LEU 100.A N PHE 196.A O no hydrogen 3.069 N/A GLY 101.A N GLY 113.A O no hydrogen 3.159 N/A ASN 102.A N GLU 194.A O no hydrogen 2.887 N/A ASN 102.A ND2 SER 75.A OG no hydrogen 2.964 N/A ASN 103.A ND2 GLU 190.A OE1 no hydrogen 2.964 N/A ILE 104.A N GLY 101.A O no hydrogen 3.096 N/A THR 105.A OG1 ASN 102.A O no hydrogen 3.536 N/A SER 106.A N ASN 103.A O no hydrogen 2.833 N/A SER 106.A OG ASN 103.A O no hydrogen 3.309 N/A VAL 107.A N ASN 103.A O no hydrogen 2.802 N/A SER 108.A N ILE 104.A O no hydrogen 3.000 N/A TRP 109.A N SER 108.A OG no hydrogen 2.873 N/A TRP 109.A NE1 GLU 114.A OE1 no hydrogen 2.691 N/A CYS 112.A N SER 108.A O no hydrogen 2.973 N/A CYS 112.A SG SER 108.A O no hydrogen 3.420 N/A CYS 112.A SG GLY 113.A O no hydrogen 3.518 N/A GLY 113.A N PRO 110.A O no hydrogen 2.870 N/A GLU 114.A N HIS 132.A O no hydrogen 2.932 N/A ILE 115.A N MET 99.A O no hydrogen 2.937 N/A ASP 116.A N THR 130.A O no hydrogen 2.733 N/A ILE 117.A N PHE 97.A O no hydrogen 2.907 N/A MET 118.A N PHE 97.A O no hydrogen 3.051 N/A SER 119.A N HIS 128.A O no hydrogen 3.101 N/A ARG 120.A N PRO 95.A O no hydrogen 3.306 N/A ARG 120.A NE ALA 124.A O no hydrogen 2.794 N/A ARG 120.A NH1 SER 89.A OG no hydrogen 2.913 N/A ARG 120.A NH2 SER 89.A OG no hydrogen 2.957 N/A ARG 120.A NH2 ALA 124.A O no hydrogen 2.918 N/A ASN 122.A N LEU 93.A O no hydrogen 2.926 N/A ASN 122.A ND2 PRO 208.A O no hydrogen 3.052 N/A ALA 124.A N ILE 121.A O no hydrogen 3.109 N/A THR 127.A N VAL 147.A O no hydrogen 3.009 N/A HIS 128.A N SER 119.A O no hydrogen 2.855 N/A GLY 129.A N ASP 145.A O no hydrogen 3.029 N/A THR 130.A N ASP 116.A O no hydrogen 3.073 N/A ILE 131.A N TYR 143.A O no hydrogen 2.877 N/A HIS 132.A N GLU 114.A O no hydrogen 3.073 N/A TRP 133.A N ALA 141.A O no hydrogen 2.943 N/A TRP 133.A NE1 ASN 186.A O no hydrogen 2.893 N/A ASP 135.A N ASP 139.A O no hydrogen 2.886 N/A GLN 136.A N GLN 136.A OE1 no hydrogen 2.722 N/A ASN 137.A N ASP 135.A OD1 no hydrogen 3.025 N/A GLY 138.A N ASP 135.A O no hydrogen 2.898 N/A ASP 139.A N ASP 135.A OD1 no hydrogen 2.957 N/A ALA 141.A N TRP 133.A O no hydrogen 2.817 N/A TYR 143.A N ILE 131.A O no hydrogen 3.039 N/A ASP 145.A N GLY 129.A O no hydrogen 3.023 N/A ASP 146.A N ASP 145.A OD1 no hydrogen 2.806 N/A VAL 147.A N THR 127.A O no hydrogen 2.991 N/A VAL 149.A N LEU 125.A O no hydrogen 2.853 N/A GLY 153.A N ASP 151.A OD1 no hydrogen 2.975 N/A GLN 154.A N ASP 151.A O no hydrogen 3.064 N/A TYR 155.A OH ASN 48.A OD1 no hydrogen 2.640 N/A HIS 156.A N ILE 85.A O no hydrogen 2.990 N/A HIS 156.A ND1 ASP 172.A OD2 no hydrogen 2.653 N/A HIS 156.A NE2 ASP 151.A O no hydrogen 2.840 N/A ILE 157.A N ASP 172.A OD1 no hydrogen 2.850 N/A TYR 158.A N ALA 83.A O no hydrogen 2.916 N/A SER 159.A N PHE 170.A O no hydrogen 3.098 N/A VAL 160.A N ILE 81.A O no hydrogen 3.028 N/A GLU 161.A N LYS 168.A O no hydrogen 2.787 N/A TRP 162.A N GLY 79.A O no hydrogen 2.896 N/A TRP 162.A NE1 PHE 191.A O no hydrogen 2.899 N/A ASP 163.A N SER 166.A O no hydrogen 3.009 N/A ASN 165.A N ASP 163.A OD1 no hydrogen 2.775 N/A SER 166.A N ASP 163.A OD1 no hydrogen 2.686 N/A SER 166.A OG ASP 163.A OD1 no hydrogen 3.327 N/A ILE 167.A N VAL 179.A O no hydrogen 3.024 N/A LYS 168.A N GLU 161.A O no hydrogen 2.803 N/A LYS 168.A NZ GLU 178.A OE2.A no hydrogen 3.381 N/A TRP 169.A N ASN 177.A O no hydrogen 2.892 N/A TRP 169.A NE1 ASP 116.A O no hydrogen 2.846 N/A PHE 170.A N SER 159.A O no hydrogen 2.933 N/A VAL 171.A N GLN 174.A O no hydrogen 3.095 N/A ASP 172.A N ILE 157.A O no hydrogen 2.760 N/A GLN 174.A N VAL 171.A O no hydrogen 2.849 N/A GLN 175.A NE2 GLU 178.A OE1.A no hydrogen 3.012 N/A PHE 176.A N TRP 169.A O no hydrogen 3.051 N/A ASN 177.A ND2 GLY 129.A O no hydrogen 3.101 N/A VAL 179.A N ILE 167.A O no hydrogen 2.976 N/A ILE 181.A N ASN 165.A O no hydrogen 2.885 N/A SER 182.A N ASP 180.A OD1 no hydrogen 2.969 N/A SER 182.A OG ASP 180.A OD1 no hydrogen 2.681 N/A GLY 184.A N ILE 181.A O no hydrogen 3.044 N/A VAL 185.A N SER 182.A O no hydrogen 3.140 N/A THR 188.A N GLY 184.A O no hydrogen 3.151 N/A THR 188.A N VAL 185.A O no hydrogen 3.241 N/A THR 188.A OG1 ILE 181.A O no hydrogen 3.487 N/A THR 188.A OG1 VAL 185.A O no hydrogen 2.673 N/A PHE 191.A N THR 188.A O no hydrogen 3.005 N/A GLN 192.A N GLY 189.A O no hydrogen 3.053 N/A GLN 192.A NE2 ALA 164.A O no hydrogen 2.758 N/A PHE 195.A N PHE 76.A O no hydrogen 2.832 N/A PHE 196.A N LEU 100.A O no hydrogen 2.929 N/A ILE 197.A N THR 70.A OG1 no hydrogen 2.978 N/A LEU 198.A N TRP 98.A O no hydrogen 2.803 N/A LEU 199.A N MET 68.A O no hydrogen 2.982 N/A ASN 200.A N ALA 96.A O no hydrogen 3.166 N/A ASN 200.A ND2 TYR 37.A OH no hydrogen 3.062 N/A MET 201.A N ALA 66.A O no hydrogen 3.344 N/A ALA 202.A N TRP 94.A O no hydrogen 2.924 N/A VAL 203.A N GLN 35.A OE1 no hydrogen 2.850 N/A GLY 204.A N GLY 92.A O no hydrogen 2.805 N/A GLY 205.A N GLY 209.A O no hydrogen 3.232 N/A ASP 206.A N ASN 31.A O no hydrogen 2.850 N/A GLY 209.A N GLY 205.A O no hydrogen 2.789 N/A ASP 213.A N GLN 91.A O no hydrogen 2.916 N/A GLN 214.A NE2 GLN 62.A OE1 no hydrogen 3.123 N/A GLN 214.A NE2 TYR 63.A OH no hydrogen 2.912 N/A SER 215.A N ASP 213.A OD1 no hydrogen 3.025 N/A SER 215.A OG ASP 213.A OD1 no hydrogen 2.566 N/A SER 215.A OG ASP 213.A OD2 no hydrogen 3.423 N/A LYS 216.A N ASP 213.A O no hydrogen 3.067 N/A LEU 217.A N GLN 214.A O no hydrogen 3.022 N/A ALA 219.A N ALA 53.A O no hydrogen 2.929 N/A MET 221.A N ILE 51.A O no hydrogen 2.828 N/A LEU 222.A N ALA 86.A O no hydrogen 3.009 N/A VAL 223.A N LEU 49.A O no hydrogen 2.874 N/A ASP 224.A N ARG 84.A O no hydrogen 2.834 N/A VAL 226.A N ASP 8.A O no hydrogen 2.988 N/A ARG 227.A N GLU 82.A O no hydrogen 2.881 N/A ARG 227.A NE GLU 9.A OE2 no hydrogen 2.868 N/A ARG 227.A NH2 GLU 9.A OE1 no hydrogen 2.831 N/A ARG 227.A NH2 GLU 9.A OE2 no hydrogen 3.455 N/A VAL 228.A N TRP 6.A O no hydrogen 2.860 N/A TYR 229.A N LYS 80.A O no hydrogen 2.913 N/A GLN 230.A N ASN 3.A O no hydrogen 2.919 N/A GLN 230.A NE2 TYR 78.A O no hydrogen 2.876 N/A