Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3atg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N ASP 4.A OD1 no hydrogen 2.923 N/A GLY 3.A N ASP 239.A O no hydrogen 2.791 N/A ASP 4.A N ALA 1.A O no hydrogen 3.018 N/A LEU 6.A N VAL 237.A O no hydrogen 2.860 N/A TRP 7.A N VAL 237.A O no hydrogen 3.400 N/A SER 8.A OG GLU 10.A OE1 no hydrogen 2.681 N/A ASP 9.A N VAL 235.A O no hydrogen 2.903 N/A PHE 11.A N ASP 9.A OD1 no hydrogen 2.939 N/A GLY 16.A N LEU 50.A O no hydrogen 2.878 N/A SER 17.A N ALA 14.A O no hydrogen 3.108 N/A SER 17.A OG ALA 14.A O no hydrogen 2.863 N/A ALA 22.A N ASN 20.A OD1 no hydrogen 2.905 N/A VAL 23.A N ASN 20.A O no hydrogen 3.003 N/A TRP 24.A N ASN 20.A O no hydrogen 2.953 N/A TRP 24.A NE1 ASP 9.A OD2 no hydrogen 2.821 N/A ASN 25.A N THR 74.A O no hydrogen 2.720 N/A ASN 25.A ND2 THR 74.A OG1 no hydrogen 3.080 N/A ASN 25.A ND2 GLN 76.A O no hydrogen 2.926 N/A HIS 26.A NE2 SER 48.A OG no hydrogen 2.740 N/A GLU 27.A N ARG 72.A O no hydrogen 2.881 N/A GLY 29.A N TYR 41.A O no hydrogen 2.875 N/A TRP 33.A NE1 GLY 29.A O no hydrogen 2.866 N/A GLU 37.A N GLY 34.A O no hydrogen 3.384 N/A LEU 38.A N VAL 212.A O no hydrogen 2.855 N/A GLN 39.A NE2 GLU 37.A OE2 no hydrogen 2.922 N/A ASN 40.A N TYR 68.A O no hydrogen 2.737 N/A TYR 41.A N GLY 29.A O no hydrogen 2.992 N/A THR 42.A N SER 70.A O no hydrogen 2.937 N/A SER 44.A N THR 42.A OG1 no hydrogen 2.982 N/A ARG 45.A NH1 GLY 16.A O no hydrogen 2.913 N/A ALA 46.A N SER 44.A OG no hydrogen 3.000 N/A ASN 47.A N SER 44.A O no hydrogen 2.976 N/A ASN 47.A ND2 THR 42.A OG1 no hydrogen 2.660 N/A SER 48.A N SER 44.A O no hydrogen 3.176 N/A SER 48.A OG HIS 26.A NE2 no hydrogen 2.740 N/A ALA 49.A N VAL 57.A O no hydrogen 3.136 N/A LEU 50.A N SER 17.A O no hydrogen 2.785 N/A ASP 51.A N ASN 55.A O no hydrogen 2.965 N/A GLN 53.A N ASP 51.A OD1 no hydrogen 2.796 N/A ASN 55.A N ASP 51.A OD1 no hydrogen 3.026 N/A ASN 55.A ND2 ASP 51.A OD2 no hydrogen 2.953 N/A LEU 56.A N VAL 232.A O no hydrogen 2.879 N/A VAL 57.A N ALA 49.A O no hydrogen 2.828 N/A ILE 58.A N MET 230.A O no hydrogen 2.910 N/A THR 59.A N ASN 47.A O no hydrogen 2.858 N/A ALA 60.A N GLN 228.A O no hydrogen 2.883 N/A ARG 61.A N THR 69.A O no hydrogen 2.923 N/A ARG 61.A NE ALA 46.A O no hydrogen 2.748 N/A ARG 61.A NH2 ALA 46.A O no hydrogen 2.819 N/A GLU 63.A N SER 67.A O no hydrogen 2.802 N/A GLY 66.A N GLU 63.A O no hydrogen 2.908 N/A SER 67.A N ASP 65.A OD2 no hydrogen 2.930 N/A SER 67.A OG ASP 65.A OD2 no hydrogen 2.686 N/A THR 69.A N ARG 61.A O no hydrogen 2.932 N/A THR 69.A OG1 ASN 47.A OD1 no hydrogen 3.003 N/A THR 69.A OG1 GLU 63.A OE2 no hydrogen 2.635 N/A SER 70.A N ASN 40.A O no hydrogen 3.179 N/A SER 70.A OG VAL 210.A O no hydrogen 2.646 N/A ALA 71.A N SER 70.A OG no hydrogen 2.756 N/A ARG 72.A NE GLU 27.A OE2 no hydrogen 2.769 N/A MET 73.A N LEU 208.A O no hydrogen 2.833 N/A THR 74.A N ASN 25.A O no hydrogen 3.019 N/A THR 75.A N LEU 206.A O no hydrogen 2.857 N/A THR 75.A OG1 TYR 79.A O no hydrogen 2.689 N/A GLN 76.A N THR 74.A OG1 no hydrogen 3.211 N/A GLN 76.A NE2 PHE 109.A O no hydrogen 2.940 N/A GLY 77.A N GLN 80.A OE1 no hydrogen 2.913 N/A LYS 78.A N THR 75.A O no hydrogen 2.891 N/A LYS 78.A NZ PRO 21.A O no hydrogen 2.649 N/A LYS 78.A NZ TRP 24.A O no hydrogen 3.200 N/A LYS 78.A NZ ASN 25.A OD1 no hydrogen 2.912 N/A TYR 79.A N THR 75.A O no hydrogen 2.956 N/A GLY 84.A N TRP 171.A O no hydrogen 2.931 N/A ARG 85.A N TYR 238.A O no hydrogen 2.870 N/A ARG 85.A NE GLU 87.A OE1 no hydrogen 2.885 N/A ARG 85.A NH2 GLU 87.A OE1 no hydrogen 3.017 N/A ILE 86.A N VAL 169.A O no hydrogen 2.880 N/A GLU 87.A N ARG 236.A O no hydrogen 2.896 N/A ALA 88.A N PHE 167.A O no hydrogen 2.904 N/A ARG 89.A N TYR 234.A O no hydrogen 3.171 N/A ARG 89.A NH1 ASP 233.A OD2 no hydrogen 2.788 N/A ILE 90.A N HIS 165.A O no hydrogen 2.805 N/A GLN 91.A N LYS 231.A O no hydrogen 2.809 N/A ARG 94.A N GLN 228.A OE1 no hydrogen 2.911 N/A ARG 94.A NH1 ASP 162.A OD1 no hydrogen 3.302 N/A ARG 94.A NH2 ASP 162.A OD1 no hydrogen 2.813 N/A ILE 98.A N GLY 95.A O no hydrogen 3.081 N/A TRP 99.A N ALA 211.A O no hydrogen 2.954 N/A TRP 99.A NE1 GLU 124.A OE1 no hydrogen 3.112 N/A ALA 101.A N ASN 209.A O no hydrogen 3.019 N/A PHE 102.A N MET 123.A O no hydrogen 2.905 N/A TRP 103.A N ILE 207.A O no hydrogen 2.960 N/A TRP 103.A NE1 ASN 209.A OD1 no hydrogen 2.787 N/A MET 104.A N ILE 120.A O no hydrogen 2.779 N/A LEU 105.A N PHE 205.A O no hydrogen 3.141 N/A GLY 106.A N GLY 118.A O no hydrogen 3.038 N/A GLY 107.A N PRO 203.A O no hydrogen 2.805 N/A SER 108.A OG GLN 202.A OE1 no hydrogen 3.438 N/A PHE 109.A N GLY 106.A O no hydrogen 2.992 N/A THR 112.A N SER 108.A O no hydrogen 2.937 N/A TRP 114.A NE1 GLU 119.A OE2 no hydrogen 2.742 N/A SER 117.A N PRO 113.A O.A no hydrogen 3.011 N/A SER 117.A N PRO 113.A O.B no hydrogen 3.225 N/A SER 117.A OG THR 112.A O no hydrogen 2.905 N/A SER 117.A OG PRO 113.A O.A no hydrogen 3.223 N/A GLY 118.A N PRO 115.A O no hydrogen 2.908 N/A GLU 119.A N HIS 138.A O no hydrogen 3.059 N/A ILE 120.A N MET 104.A O no hydrogen 2.926 N/A ASP 121.A N THR 136.A O no hydrogen 2.777 N/A ILE 122.A N PHE 102.A O no hydrogen 2.943 N/A MET 123.A N PHE 102.A O no hydrogen 3.000 N/A GLU 124.A N HIS 134.A O no hydrogen 2.923 N/A ASN 125.A N PRO 100.A O no hydrogen 3.235 N/A ASN 125.A ND2 GLU 129.A O no hydrogen 2.887 N/A ASN 125.A ND2 ARG 132.A O no hydrogen 2.830 N/A GLY 127.A N ILE 98.A O no hydrogen 2.976 N/A GLU 129.A N VAL 126.A O no hydrogen 2.893 N/A ARG 132.A N GLU 129.A O no hydrogen 3.131 N/A ARG 132.A NH2 GLN 153.A OE1.A no hydrogen 3.520 N/A VAL 133.A N TYR 152.A O no hydrogen 2.957 N/A HIS 134.A N GLU 124.A O no hydrogen 2.905 N/A HIS 134.A NE2 GLU 129.A OE2 no hydrogen 2.705 N/A GLY 135.A N GLY 150.A O no hydrogen 2.968 N/A THR 136.A N ASP 121.A O no hydrogen 3.085 N/A THR 136.A OG1 THR 149.A OG1 no hydrogen 2.940 N/A VAL 137.A N ILE 148.A O no hydrogen 3.114 N/A HIS 138.A N GLU 119.A O no hydrogen 2.947 N/A GLY 139.A N TYR 142.A O no hydrogen 3.023 N/A TYR 142.A N GLY 139.A O no hydrogen 2.910 N/A TYR 142.A OH ALA 197.A O no hydrogen 2.668 N/A SER 146.A N SER 143.A O no hydrogen 2.965 N/A GLY 147.A N GLY 144.A O no hydrogen 3.052 N/A ILE 148.A N VAL 137.A O no hydrogen 3.006 N/A THR 149.A OG1 GLY 135.A O no hydrogen 3.253 N/A THR 149.A OG1 THR 136.A OG1 no hydrogen 2.940 N/A GLY 150.A N GLY 135.A O no hydrogen 2.856 N/A TYR 152.A N VAL 133.A O no hydrogen 2.948 N/A HIS 154.A N.A HIS 131.A O no hydrogen 2.442 N/A HIS 154.A N.B HIS 131.A O no hydrogen 3.120 N/A HIS 154.A NE2.B HIS 131.A ND1 no hydrogen 2.701 N/A GLN 156.A N.B HIS 154.A O.B no hydrogen 2.486 N/A GLY 157.A N.B HIS 154.A O.B no hydrogen 3.406 N/A TRP 158.A N.A PRO 155.A O.A no hydrogen 2.495 N/A TRP 158.A N.B PRO 155.A O.A no hydrogen 2.074 N/A PHE 160.A N PRO 130.A O no hydrogen 3.056 N/A ASP 162.A N SER 159.A O no hydrogen 3.165 N/A THR 163.A N PHE 160.A O no hydrogen 3.436 N/A PHE 164.A N THR 163.A OG1 no hydrogen 2.753 N/A HIS 165.A N ILE 90.A O no hydrogen 2.931 N/A HIS 165.A ND1 ASP 181.A OD2 no hydrogen 2.655 N/A THR 166.A N ASP 181.A OD1 no hydrogen 2.980 N/A PHE 167.A N ALA 88.A O no hydrogen 2.854 N/A ALA 168.A N PHE 179.A O no hydrogen 2.888 N/A VAL 169.A N ILE 86.A O no hydrogen 2.984 N/A ASP 170.A N THR 177.A O no hydrogen 2.742 N/A TRP 171.A N GLY 84.A O no hydrogen 2.961 N/A TRP 171.A NE1 PHE 200.A O no hydrogen 3.006 N/A LYS 172.A N GLU 175.A O no hydrogen 2.941 N/A GLY 174.A N ASP 201.A OD1 no hydrogen 2.914 N/A GLU 175.A N LYS 172.A O no hydrogen 3.069 N/A ILE 176.A N VAL 188.A O no hydrogen 2.922 N/A THR 177.A N ASP 170.A O no hydrogen 3.039 N/A TRP 178.A N HIS 186.A O no hydrogen 2.831 N/A TRP 178.A NE1 ASP 121.A O no hydrogen 2.879 N/A PHE 179.A N ALA 168.A O no hydrogen 2.915 N/A VAL 180.A N GLN 183.A O no hydrogen 2.992 N/A ASP 181.A N THR 166.A O no hydrogen 2.843 N/A GLN 183.A N VAL 180.A O no hydrogen 2.883 N/A PHE 185.A N TRP 178.A O no hydrogen 2.941 N/A ARG 187.A NH1 GLU 175.A OE2 no hydrogen 2.762 N/A ARG 187.A NH1 THR 177.A OG1 no hydrogen 2.899 N/A ARG 187.A NH2 GLU 175.A OE2 no hydrogen 2.964 N/A VAL 188.A N ILE 176.A O no hydrogen 2.935 N/A THR 189.A N SER 192.A OG no hydrogen 2.856 N/A ARG 190.A N GLY 174.A O no hydrogen 3.121 N/A ARG 190.A NH1.A ASP 201.A OD2 no hydrogen 2.856 N/A ARG 190.A NH1.B ASP 201.A OD2 no hydrogen 3.466 N/A ARG 190.A NH2.B ASP 201.A OD2 no hydrogen 2.985 N/A ALA 191.A N THR 189.A OG1 no hydrogen 3.192 N/A SER 192.A N THR 189.A O no hydrogen 2.840 N/A SER 192.A OG THR 189.A O no hydrogen 3.140 N/A ASN 196.A N VAL 193.A O no hydrogen 3.156 N/A TRP 198.A NE1 ASP 201.A OD1 no hydrogen 2.941 N/A GLN 202.A NE2 VAL 199.A O no hydrogen 2.742 N/A PHE 204.A N PRO 81.A O no hydrogen 3.015 N/A PHE 205.A N LEU 105.A O no hydrogen 2.906 N/A LEU 206.A N THR 75.A OG1 no hydrogen 2.914 N/A ILE 207.A N TRP 103.A O no hydrogen 2.767 N/A LEU 208.A N MET 73.A O no hydrogen 2.916 N/A ASN 209.A N ALA 101.A O no hydrogen 3.169 N/A VAL 210.A N ALA 71.A O no hydrogen 3.371 N/A ALA 211.A N TRP 99.A O no hydrogen 2.896 N/A VAL 212.A N GLN 39.A OE1 no hydrogen 2.828 N/A GLY 213.A N GLY 97.A O no hydrogen 2.800 N/A GLN 215.A N ASN 35.A O no hydrogen 2.825 N/A GLY 218.A N GLY 214.A O no hydrogen 2.808 N/A TYR 219.A OH ALA 36.A O no hydrogen 2.728 N/A ASP 221.A N THR 224.A OG1 no hydrogen 3.046 N/A THR 223.A N ASP 221.A OD2 no hydrogen 2.832 N/A THR 223.A OG1 ASP 221.A OD2 no hydrogen 2.626 N/A THR 224.A N ASP 221.A O no hydrogen 3.181 N/A THR 224.A OG1 GLN 96.A O no hydrogen 2.720 N/A THR 224.A OG1 ASP 221.A O no hydrogen 3.324 N/A GLN 228.A N ALA 60.A O no hydrogen 2.970 N/A GLN 228.A NE2 GLN 225.A O no hydrogen 2.813 N/A MET 230.A N ILE 58.A O no hydrogen 2.813 N/A LYS 231.A N GLN 91.A O no hydrogen 2.996 N/A VAL 232.A N LEU 56.A O no hydrogen 2.769 N/A ASP 233.A N ARG 89.A O no hydrogen 2.831 N/A TYR 234.A OH GLU 87.A OE2 no hydrogen 2.674 N/A VAL 235.A N ASP 9.A O no hydrogen 3.013 N/A ARG 236.A N GLU 87.A O no hydrogen 2.763 N/A ARG 236.A NE GLU 10.A OE1 no hydrogen 2.977 N/A ARG 236.A NE GLU 10.A OE2 no hydrogen 3.462 N/A ARG 236.A NH1 TYR 238.A OH no hydrogen 2.975 N/A ARG 236.A NH2 GLU 10.A OE2 no hydrogen 2.921 N/A VAL 237.A N TRP 7.A O no hydrogen 2.881 N/A TYR 238.A N ARG 85.A O no hydrogen 2.862 N/A ASP 239.A N ASP 4.A O no hydrogen 2.808 N/A ASN 240.A ND2 SER 242.A OG no hydrogen 2.818 N/A GLY 241.A N ASP 239.A OD1.A no hydrogen 2.857 N/A GLY 241.A N ASP 239.A OD2.B no hydrogen 3.003 N/A