Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4x0r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 3.A N ASP 3.A OD1 no hydrogen 2.403 N/A PHE 6.A N ASP 3.A O no hydrogen 3.216 N/A PHE 7.A N LYS 4.A O no hydrogen 2.854 N/A LEU 8.A N MET 5.A O no hydrogen 3.111 N/A ILE 9.A N PHE 6.A O no hydrogen 2.942 N/A GLU 10.A N PHE 7.A O no hydrogen 3.401 N/A ILE 12.A N LEU 8.A O no hydrogen 3.088 N/A LYS 13.A N ILE 9.A O no hydrogen 2.865 N/A MET 14.A N GLU 10.A O no hydrogen 2.848 N/A PHE 15.A N LYS 11.A O no hydrogen 2.866 N/A ASN 16.A N ILE 12.A O no hydrogen 2.668 N/A ASN 16.A ND2 GLN 185.A O no hydrogen 3.337 N/A GLN 17.A N LYS 13.A O no hydrogen 2.993 N/A ASP 18.A N MET 14.A O no hydrogen 3.033 N/A ILE 19.A N PHE 15.A O no hydrogen 2.952 N/A GLU 20.A N ASN 16.A O no hydrogen 2.865 N/A LYS 21.A N GLN 17.A O no hydrogen 2.937 N/A LEU 22.A N ASP 18.A O no hydrogen 3.072 N/A VAL 23.A N ILE 19.A O no hydrogen 2.969 N/A GLU 24.A N GLU 20.A O no hydrogen 2.986 N/A GLU 24.A N LYS 21.A O no hydrogen 2.986 N/A GLY 25.A N LEU 22.A O no hydrogen 3.243 N/A GLU 26.A N LYS 21.A O no hydrogen 3.138 N/A ARG 30.A N GLU 33.A OE2 no hydrogen 2.836 N/A LEU 36.A N GLU 27.A OE2 no hydrogen 2.430 N/A TYR 37.A OH VAL 23.A O no hydrogen 2.764 N/A ILE 40.A N LEU 36.A O no hydrogen 2.983 N/A ARG 41.A N TYR 37.A O no hydrogen 2.827 N/A GLU 42.A N ASN 38.A O no hydrogen 2.917 N/A ASP 43.A N LYS 39.A O no hydrogen 3.082 N/A PHE 44.A N ILE 40.A O no hydrogen 2.879 N/A LYS 45.A N ARG 41.A O no hydrogen 2.773 N/A ASN 46.A N GLU 42.A O no hydrogen 3.070 N/A TRP 47.A N ASP 43.A O no hydrogen 3.082 N/A TRP 47.A NE1 LEU 164.A O no hydrogen 3.350 N/A VAL 48.A N PHE 44.A O no hydrogen 2.943 N/A GLY 49.A N LYS 45.A O no hydrogen 2.927 N/A ILE 50.A N ASN 46.A O no hydrogen 2.941 N/A LEU 51.A N TRP 47.A O no hydrogen 2.899 N/A ALA 52.A N VAL 48.A O no hydrogen 2.892 N/A THR 53.A N GLY 49.A O no hydrogen 2.891 N/A THR 53.A OG1 GLY 49.A O no hydrogen 3.317 N/A ASN 54.A N ILE 50.A O no hydrogen 2.923 N/A ASN 54.A ND2 GLN 77.A O no hydrogen 3.646 N/A THR 55.A N LEU 51.A O no hydrogen 2.883 N/A THR 55.A OG1 LEU 51.A O no hydrogen 2.833 N/A THR 55.A OG1 TYR 74.A OH no hydrogen 2.940 N/A GLN 56.A N ALA 52.A O no hydrogen 2.896 N/A GLN 56.A NE2 ASN 60.A OD1 no hydrogen 2.999 N/A LYS 57.A N THR 53.A O no hydrogen 2.894 N/A VAL 58.A N ASN 54.A O no hydrogen 3.004 N/A LYS 59.A N THR 55.A O no hydrogen 2.918 N/A LYS 59.A NZ GLN 56.A OE1 no hydrogen 2.472 N/A ASN 60.A N GLN 56.A O no hydrogen 2.906 N/A ILE 61.A N LYS 57.A O no hydrogen 2.988 N/A ILE 62.A N VAL 58.A O no hydrogen 2.941 N/A HIS 63.A N LYS 59.A O no hydrogen 2.883 N/A GLU 64.A N ASN 60.A O no hydrogen 2.977 N/A GLU 65.A N ILE 62.A O no hydrogen 3.125 N/A PHE 67.A N THR 66.A OG1 no hydrogen 2.084 N/A GLU 68.A N THR 66.A OG1 no hydrogen 3.120 N/A ILE 70.A N PHE 67.A O no hydrogen 3.053 N/A HIS 72.A N GLU 68.A O no hydrogen 2.862 N/A HIS 72.A ND1 GLN 142.A OE1 no hydrogen 2.963 N/A GLN 73.A N ILE 69.A O no hydrogen 2.908 N/A TYR 74.A N ILE 70.A O no hydrogen 2.925 N/A TYR 74.A OH THR 55.A OG1 no hydrogen 2.940 N/A ILE 75.A N VAL 71.A O no hydrogen 2.959 N/A GLN 76.A N HIS 72.A O no hydrogen 2.885 N/A GLN 77.A N GLN 73.A O no hydrogen 2.942 N/A LEU 78.A N ILE 75.A O no hydrogen 2.630 N/A VAL 79.A N GLN 76.A O no hydrogen 3.255 N/A ALA 82.A N LEU 78.A O no hydrogen 3.116 N/A LEU 83.A N VAL 79.A O no hydrogen 3.032 N/A SER 84.A N GLU 80.A O no hydrogen 2.801 N/A MET 85.A N PRO 81.A O no hydrogen 2.825 N/A LEU 86.A N ALA 82.A O no hydrogen 2.966 N/A GLN 87.A N LEU 83.A O no hydrogen 2.882 N/A GLN 87.A NE2 GLU 91.A OE2 no hydrogen 3.452 N/A LYS 88.A N SER 84.A O no hydrogen 3.018 N/A ALA 89.A N MET 85.A O no hydrogen 3.093 N/A MET 90.A N LEU 86.A O no hydrogen 2.945 N/A GLU 91.A N GLN 87.A O no hydrogen 3.200 N/A ILE 92.A N LYS 88.A O no hydrogen 3.054 N/A ILE 93.A N ALA 89.A O no hydrogen 3.036 N/A GLN 94.A N MET 90.A O no hydrogen 2.696 N/A GLN 94.A NE2 GLU 120.A OE1 no hydrogen 2.638 N/A GLN 95.A N GLU 91.A O no hydrogen 2.927 N/A ALA 96.A N ILE 92.A O no hydrogen 2.967 N/A PHE 97.A N ILE 93.A O no hydrogen 2.924 N/A ILE 98.A N GLN 94.A O no hydrogen 3.046 N/A ASN 99.A N GLN 95.A O no hydrogen 3.061 N/A VAL 100.A N ALA 96.A O no hydrogen 3.259 N/A ALA 101.A N PHE 97.A O no hydrogen 3.054 N/A LYS 102.A N ILE 98.A O no hydrogen 2.790 N/A LYS 103.A N ASN 99.A O no hydrogen 3.152 N/A LYS 103.A NZ ASP 18.A OD2 no hydrogen 3.039 N/A LYS 103.A NZ HIS 104.A NE2 no hydrogen 2.514 N/A HIS 104.A N VAL 100.A O no hydrogen 3.151 N/A HIS 104.A NE2 ASP 18.A OD2 no hydrogen 2.774 N/A PHE 105.A N ALA 101.A O no hydrogen 2.799 N/A PHE 108.A N PHE 105.A O no hydrogen 3.247 N/A ASN 110.A ND2 TRP 200.A O no hydrogen 2.526 N/A ASN 112.A N PHE 108.A O no hydrogen 3.042 N/A GLN 113.A N PHE 109.A O no hydrogen 2.863 N/A THR 114.A N ASN 110.A O no hydrogen 2.944 N/A THR 114.A OG1 LEU 111.A O no hydrogen 3.224 N/A VAL 115.A N LEU 111.A O no hydrogen 2.854 N/A GLN 116.A N ASN 112.A O no hydrogen 2.916 N/A GLN 116.A NE2 ASN 112.A OD1 no hydrogen 3.236 N/A SER 117.A N GLN 113.A O no hydrogen 2.965 N/A SER 117.A OG THR 114.A O no hydrogen 2.834 N/A THR 118.A N THR 114.A O no hydrogen 2.922 N/A THR 118.A OG1 THR 114.A O no hydrogen 2.922 N/A ILE 119.A N VAL 115.A O no hydrogen 2.878 N/A GLU 120.A N GLN 116.A O no hydrogen 2.977 N/A ASP 121.A N SER 117.A O no hydrogen 2.963 N/A ILE 122.A N THR 118.A O no hydrogen 2.991 N/A LYS 123.A N ILE 119.A O no hydrogen 2.955 N/A LYS 123.A NZ GLN 94.A OE1 no hydrogen 3.243 N/A LYS 123.A NZ GLU 120.A OE1 no hydrogen 3.137 N/A LYS 123.A NZ GLU 120.A OE2 no hydrogen 3.205 N/A VAL 124.A N GLU 120.A O no hydrogen 2.966 N/A LYS 125.A N ASP 121.A O no hydrogen 3.100 N/A HIS 126.A N ILE 122.A O no hydrogen 2.970 N/A HIS 126.A ND1 ILE 122.A O no hydrogen 3.054 N/A THR 127.A N LYS 123.A O no hydrogen 2.861 N/A THR 127.A OG1 LYS 123.A O no hydrogen 2.802 N/A ALA 128.A N VAL 124.A O no hydrogen 3.044 N/A LYS 129.A N LYS 125.A O no hydrogen 3.059 N/A LYS 129.A NZ GLU 179.A OE2 no hydrogen 3.304 N/A ALA 130.A N HIS 126.A O no hydrogen 2.873 N/A GLU 131.A N THR 127.A O no hydrogen 2.919 N/A ASN 132.A N ALA 128.A O no hydrogen 2.953 N/A MET 133.A N LYS 129.A O no hydrogen 2.936 N/A ILE 134.A N ALA 130.A O no hydrogen 2.933 N/A GLN 135.A N GLU 131.A O no hydrogen 2.913 N/A LEU 136.A N ASN 132.A O no hydrogen 2.886 N/A GLN 137.A N MET 133.A O no hydrogen 2.900 N/A GLN 137.A NE2 GLU 141.A OE1 no hydrogen 3.060 N/A PHE 138.A N ILE 134.A O no hydrogen 2.976 N/A ARG 139.A N GLN 135.A O no hydrogen 2.917 N/A MET 140.A N LEU 136.A O no hydrogen 2.911 N/A GLU 141.A N GLN 137.A O no hydrogen 2.875 N/A GLN 142.A N PHE 138.A O no hydrogen 2.953 N/A GLN 142.A N ARG 139.A O no hydrogen 3.050 N/A MET 143.A N ARG 139.A O no hydrogen 2.937 N/A VAL 144.A N MET 140.A O no hydrogen 2.973 N/A PHE 145.A N GLN 142.A O no hydrogen 3.137 N/A THR 147.A OG1 THR 147.A O no hydrogen 2.520 N/A HIS 152.A N ILE 149.A O no hydrogen 2.920 N/A ASN 154.A N GLY 150.A O no hydrogen 3.044 N/A ALA 155.A N ILE 151.A O no hydrogen 2.753 N/A TYR 156.A N HIS 152.A O no hydrogen 2.701 N/A PHE 157.A N LEU 153.A O no hydrogen 2.968 N/A LEU 158.A N ASN 154.A O no hydrogen 2.712 N/A GLU 159.A N ALA 155.A O no hydrogen 2.787 N/A THR 160.A N TYR 156.A O no hydrogen 2.797 N/A THR 160.A OG1 TYR 156.A O no hydrogen 3.155 N/A SER 161.A N PHE 157.A O no hydrogen 2.649 N/A SER 161.A OG PHE 157.A O no hydrogen 3.546 N/A SER 161.A OG LEU 158.A O no hydrogen 2.818 N/A LYS 162.A N LEU 158.A O no hydrogen 2.957 N/A LYS 162.A NZ GLU 159.A OE2 no hydrogen 3.110 N/A ARG 163.A N GLU 159.A O no hydrogen 2.733 N/A ARG 163.A NE GLU 141.A OE2 no hydrogen 2.714 N/A ARG 163.A NH2 GLU 141.A OE2 no hydrogen 2.524 N/A LEU 164.A N THR 160.A O no hydrogen 2.855 N/A ALA 165.A N SER 161.A O no hydrogen 2.663 N/A ASN 166.A N ARG 163.A O no hydrogen 2.998 N/A GLN 167.A N ARG 163.A O no hydrogen 2.800 N/A GLN 167.A NE2 GLN 137.A OE1 no hydrogen 3.553 N/A ILE 168.A N LEU 164.A O no hydrogen 3.126 N/A PHE 170.A N ASN 166.A O no hydrogen 2.861 N/A ILE 171.A N GLN 167.A O no hydrogen 3.230 N/A ILE 172.A N ILE 168.A O no hydrogen 3.077 N/A GLN 173.A N PRO 169.A O no hydrogen 2.879 N/A TYR 174.A N PHE 170.A O no hydrogen 2.706 N/A TYR 174.A OH GLU 179.A OE1 no hydrogen 3.116 N/A PHE 175.A N ILE 171.A O no hydrogen 3.067 N/A MET 176.A N ILE 172.A O no hydrogen 2.844 N/A LEU 177.A N GLN 173.A O no hydrogen 2.915 N/A ARG 178.A N GLN 173.A O no hydrogen 3.053 N/A ARG 178.A NE ASP 182.A OD1 no hydrogen 3.510 N/A ARG 178.A NE ASP 182.A OD2 no hydrogen 3.498 N/A ARG 178.A NH2 GLU 20.A OE2 no hydrogen 2.550 N/A ARG 178.A NH2 ASP 182.A OD1 no hydrogen 3.217 N/A GLU 179.A N TYR 174.A O no hydrogen 2.694 N/A ASN 180.A N PHE 175.A O no hydrogen 3.088 N/A ASN 180.A ND2 MET 176.A O no hydrogen 2.969 N/A GLY 181.A N LEU 177.A O no hydrogen 2.869 N/A ASP 182.A N ARG 178.A O no hydrogen 2.962 N/A SER 183.A N GLU 179.A O no hydrogen 2.908 N/A SER 183.A OG GLU 179.A O no hydrogen 3.374 N/A LEU 184.A N ASN 180.A O no hydrogen 2.867 N/A GLN 185.A N GLY 181.A O no hydrogen 2.963 N/A GLN 185.A NE2 GLU 20.A OE1 no hydrogen 2.554 N/A LYS 186.A N ASP 182.A O no hydrogen 3.003 N/A ALA 187.A N SER 183.A O no hydrogen 2.886 N/A MET 188.A N LEU 184.A O no hydrogen 2.840 N/A MET 189.A N GLN 185.A O no hydrogen 3.037 N/A GLN 190.A N LYS 186.A O no hydrogen 2.910 N/A ILE 191.A N MET 188.A O no hydrogen 3.407 N/A LEU 192.A N MET 189.A O no hydrogen 3.336 N/A GLN 193.A N GLN 190.A O no hydrogen 3.310 N/A LYS 195.A NZ GLN 193.A O no hydrogen 3.384 N/A TYR 198.A N LYS 195.A O no hydrogen 3.513 N/A TYR 198.A OH LEU 192.A O no hydrogen 2.422 N/A LEU 201.A N TYR 198.A O no hydrogen 3.138 N/A