Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q2u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A ND2 VAL 84.A O no hydrogen 2.586 N/A ASN 2.A ND2 PHE 87.A O no hydrogen 2.859 N/A GLU 8.A N ASP 6.A OD2 no hydrogen 2.960 N/A ASN 9.A N ASP 6.A O no hydrogen 3.017 N/A PHE 12.A N ASN 9.A OD1 no hydrogen 2.940 N/A ILE 13.A N ASN 9.A O no hydrogen 3.029 N/A LYS 14.A N GLU 10.A O no hydrogen 3.052 N/A ASP 15.A N ASP 11.A O no hydrogen 2.849 N/A CYS 16.A N PHE 12.A O no hydrogen 2.899 N/A CYS 16.A SG PHE 12.A O no hydrogen 3.329 N/A VAL 17.A N ILE 13.A O no hydrogen 3.036 N/A ARG 18.A N LYS 14.A O no hydrogen 2.820 N/A ARG 18.A NH1 ASP 15.A OD1 no hydrogen 2.836 N/A ARG 18.A NH2 ASP 15.A OD1 no hydrogen 3.131 N/A ILE 19.A N ASP 15.A O no hydrogen 2.987 N/A HIS 20.A N CYS 16.A O no hydrogen 3.190 N/A HIS 20.A ND1 CYS 16.A O no hydrogen 2.767 N/A HIS 20.A NE2 TYR 154.A OH no hydrogen 2.719 N/A ASN 21.A N VAL 17.A O no hydrogen 2.906 N/A ASN 21.A ND2 MET 37.A O no hydrogen 2.897 N/A LYS 22.A N ARG 18.A O no hydrogen 2.789 N/A LYS 22.A NZ GLU 26.A OE2 no hydrogen 2.796 N/A PHE 23.A N ILE 19.A O no hydrogen 3.194 N/A ARG 24.A N HIS 20.A O no hydrogen 2.982 N/A ARG 24.A NE LEU 35.A O no hydrogen 3.117 N/A ARG 24.A NH1 VAL 120.A O no hydrogen 2.888 N/A ARG 24.A NH1 TRP 122.A O no hydrogen 2.897 N/A ARG 24.A NH2 LEU 35.A O no hydrogen 2.734 N/A ARG 24.A NH2 TRP 122.A O no hydrogen 3.126 N/A ARG 24.A NH2 ALA 123.A O no hydrogen 3.127 N/A SER 25.A N ASN 21.A O no hydrogen 2.755 N/A SER 25.A OG ASN 21.A O no hydrogen 3.036 N/A SER 25.A OG ASP 182.A O no hydrogen 2.716 N/A GLU 26.A N LYS 22.A O no hydrogen 3.189 N/A GLU 26.A N PHE 23.A O no hydrogen 3.246 N/A THR 30.A OG1 GLY 168.A O no hydrogen 2.651 N/A SER 32.A N LYS 166.A O no hydrogen 2.866 N/A SER 32.A OG LYS 166.A O no hydrogen 2.902 N/A LEU 35.A N ALA 123.A O no hydrogen 3.144 N/A TYR 36.A N CYS 185.A O no hydrogen 2.959 N/A MET 37.A N ASN 21.A OD1 no hydrogen 2.944 N/A THR 38.A N TYR 126.A O no hydrogen 2.867 N/A ASP 40.A N VAL 128.A O no hydrogen 2.752 N/A ALA 42.A N ASP 40.A OD1 no hydrogen 2.834 N/A LEU 43.A N ASP 40.A OD1 no hydrogen 3.197 N/A ALA 44.A N ASP 40.A O no hydrogen 3.042 N/A GLN 45.A N PRO 41.A O no hydrogen 3.018 N/A ILE 46.A N ALA 42.A O no hydrogen 3.086 N/A ALA 47.A N LEU 43.A O no hydrogen 2.882 N/A LYS 48.A N ALA 44.A O no hydrogen 2.790 N/A ALA 49.A N GLN 45.A O no hydrogen 3.020 N/A TRP 50.A N ILE 46.A O no hydrogen 3.076 N/A TRP 50.A NE1 SER 57.A O no hydrogen 2.864 N/A ALA 51.A N ALA 47.A O no hydrogen 2.752 N/A SER 52.A N LYS 48.A O no hydrogen 3.043 N/A SER 52.A OG.A ALA 49.A O no hydrogen 2.581 N/A SER 52.A OG.B LYS 48.A O no hydrogen 3.018 N/A SER 52.A OG.B GLN 133.A OE1 no hydrogen 3.264 N/A ASN 53.A N TRP 50.A O no hydrogen 2.944 N/A ASN 53.A ND2 TRP 50.A O no hydrogen 3.630 N/A CYS 54.A N ALA 51.A O no hydrogen 2.977 N/A CYS 54.A SG ALA 51.A O no hydrogen 3.955 N/A CYS 54.A SG SER 52.A O no hydrogen 3.958 N/A PHE 56.A N SER 139.A O no hydrogen 2.967 N/A HIS 58.A ND1 GLU 77.A OE1 no hydrogen 2.633 N/A ASN 59.A N GLU 77.A OE1 no hydrogen 2.881 N/A ARG 61.A N ASN 59.A OD1 no hydrogen 2.910 N/A LYS 63.A NZ LEU 75.A O no hydrogen 2.728 N/A HIS 66.A N LYS 63.A O no hydrogen 2.940 N/A LYS 67.A NZ PRO 70.A O no hydrogen 3.292 N/A HIS 69.A NE2 ASP 40.A OD2 no hydrogen 2.767 N/A ASN 71.A N HIS 69.A ND1 no hydrogen 2.971 N/A PHE 72.A N HIS 69.A O no hydrogen 3.425 N/A LEU 75.A N LEU 62.A O no hydrogen 2.935 N/A GLY 76.A N TYR 154.A O no hydrogen 2.815 N/A ASN 78.A N CYS 152.A O no hydrogen 2.898 N/A ASN 78.A ND2 HIS 116.A O no hydrogen 3.284 N/A ASN 78.A ND2 TYR 154.A OH no hydrogen 2.944 N/A TRP 80.A N PHE 150.A O no hydrogen 2.815 N/A THR 81.A OG1 HIS 149.A ND1 no hydrogen 2.900 N/A GLY 82.A N ALA 148.A O no hydrogen 3.021 N/A ILE 86.A N SER 83.A OG no hydrogen 3.188 N/A PHE 87.A N SER 83.A O no hydrogen 3.130 N/A PHE 87.A N VAL 84.A O no hydrogen 3.254 N/A SER 88.A OG SER 91.A OG no hydrogen 3.084 N/A SER 91.A N SER 88.A OG no hydrogen 2.859 N/A SER 91.A OG SER 88.A OG no hydrogen 3.084 N/A ALA 92.A N SER 88.A O no hydrogen 2.958 N/A ILE 93.A N VAL 89.A O no hydrogen 2.948 N/A THR 94.A N SER 90.A O no hydrogen 2.911 N/A THR 94.A OG1 SER 90.A O no hydrogen 2.734 N/A ASN 95.A N SER 91.A O no hydrogen 2.931 N/A TRP 96.A N ALA 92.A O no hydrogen 3.001 N/A TRP 96.A NE1 ILE 79.A O no hydrogen 3.069 N/A TYR 97.A N ILE 93.A O no hydrogen 2.848 N/A ASP 98.A N THR 94.A O no hydrogen 2.750 N/A GLU 99.A N TRP 96.A O no hydrogen 3.165 N/A ILE 100.A N TYR 97.A O no hydrogen 2.830 N/A GLN 101.A N ASP 98.A O no hydrogen 3.074 N/A ASP 102.A N GLU 99.A O no hydrogen 2.696 N/A TYR 103.A N ILE 100.A O no hydrogen 3.060 N/A ASP 104.A N ILE 109.A O no hydrogen 2.772 N/A THR 107.A N ASP 104.A O no hydrogen 3.227 N/A THR 107.A N ASP 104.A OD2 no hydrogen 3.265 N/A THR 107.A OG1 ASP 104.A O no hydrogen 3.517 N/A THR 107.A OG1 ASP 104.A OD2 no hydrogen 2.556 N/A ARG 108.A N PHE 105.A O no hydrogen 3.386 N/A ILE 109.A N THR 107.A OG1 no hydrogen 3.101 N/A LYS 111.A N ASP 102.A O no hydrogen 2.754 N/A LYS 111.A NZ GLN 101.A O no hydrogen 3.323 N/A LYS 111.A NZ ASP 102.A OD1 no hydrogen 3.401 N/A CYS 114.A SG GLU 99.A O no hydrogen 3.976 N/A HIS 116.A N GLU 99.A OE1 no hydrogen 2.918 N/A HIS 116.A ND1 GLU 99.A OE2 no hydrogen 2.608 N/A TYR 117.A N GLU 99.A OE1 no hydrogen 3.013 N/A THR 118.A N CYS 114.A O no hydrogen 3.052 N/A THR 118.A OG1 CYS 114.A O no hydrogen 3.527 N/A THR 118.A OG1 GLY 115.A O no hydrogen 3.347 N/A THR 118.A OG1 ASN 159.A OD1 no hydrogen 2.685 N/A GLN 119.A N GLY 115.A O no hydrogen 3.398 N/A GLN 119.A NE2 GLN 119.A O no hydrogen 2.832 N/A GLN 119.A NE2 SER 125.A OG no hydrogen 2.949 N/A VAL 120.A N HIS 116.A O no hydrogen 2.933 N/A VAL 121.A N TYR 117.A O no hydrogen 3.206 N/A TRP 122.A N GLN 119.A O no hydrogen 3.262 N/A ALA 123.A N PRO 164.A O no hydrogen 2.828 N/A SER 125.A N TRP 122.A O no hydrogen 3.002 N/A SER 125.A OG PRO 156.A O no hydrogen 2.647 N/A TYR 126.A N GLY 155.A O no hydrogen 2.950 N/A LYS 127.A N GLY 155.A O no hydrogen 3.023 N/A LYS 127.A NZ THR 38.A OG1 no hydrogen 2.796 N/A LYS 127.A NZ ARG 190.A O no hydrogen 2.973 N/A LYS 127.A NZ GLN 192.A O no hydrogen 2.898 N/A VAL 128.A N THR 38.A O no hydrogen 2.914 N/A GLY 129.A N ASN 153.A O no hydrogen 2.985 N/A ALA 131.A N ILE 151.A O no hydrogen 2.845 N/A GLN 133.A N HIS 149.A O no hydrogen 2.816 N/A CYS 135.A N GLY 147.A O no hydrogen 2.813 N/A LYS 137.A NZ ASP 142.A O no hydrogen 3.403 N/A LYS 137.A NZ LEU 144.A O no hydrogen 3.485 N/A SER 139.A N CYS 54.A O no hydrogen 2.981 N/A SER 139.A OG CYS 54.A O no hydrogen 3.528 N/A PHE 141.A N VAL 138.A O no hydrogen 3.063 N/A ASN 146.A N PRO 136.A O no hydrogen 2.961 N/A GLY 147.A N CYS 135.A O no hydrogen 2.831 N/A ALA 148.A N GLY 82.A O no hydrogen 2.804 N/A HIS 149.A N GLN 133.A O no hydrogen 2.925 N/A HIS 149.A ND1 THR 81.A OG1 no hydrogen 2.900 N/A PHE 150.A N TRP 80.A O no hydrogen 2.749 N/A ILE 151.A N ALA 131.A O no hydrogen 2.911 N/A CYS 152.A N ASN 78.A O no hydrogen 2.943 N/A ASN 153.A N GLY 129.A O no hydrogen 2.794 N/A ASN 153.A ND2 GLY 76.A O no hydrogen 3.031 N/A ASN 153.A ND2 GLU 77.A OE2 no hydrogen 3.260 N/A TYR 154.A N GLY 76.A O no hydrogen 2.952 N/A TYR 154.A OH HIS 20.A NE2 no hydrogen 2.719 N/A GLY 155.A N LYS 127.A O no hydrogen 2.896 N/A GLY 157.A N SER 74.A O no hydrogen 2.905 N/A GLY 158.A N GLN 119.A OE1 no hydrogen 2.901 N/A ASN 159.A ND2 GLY 115.A O no hydrogen 2.808 N/A THR 162.A N TYR 160.A O no hydrogen 2.823 N/A TRP 163.A NE1 PHE 105.A O no hydrogen 2.694 N/A TYR 165.A OH PRO 29.A O no hydrogen 2.616 N/A LYS 166.A N ASP 33.A OD1 no hydrogen 2.933 N/A LYS 166.A NZ ASP 33.A OD2 no hydrogen 2.819 N/A GLY 168.A N THR 30.A O no hydrogen 2.939 N/A SER 172.A N ALA 169.A O no hydrogen 3.101 N/A SER 172.A OG ALA 169.A O no hydrogen 2.686 N/A ALA 173.A N SER 32.A O no hydrogen 2.746 N/A CYS 174.A SG CYS 171.A O no hydrogen 3.610 N/A ASP 178.A N PRO 175.A O no hydrogen 2.924 N/A CYS 180.A SG LEU 184.A O no hydrogen 3.891 N/A LEU 181.A N LEU 184.A O no hydrogen 2.873 N/A ASN 183.A ND2 SER 25.A O no hydrogen 2.939 N/A LEU 184.A N LEU 181.A O no hydrogen 2.883 N/A CYS 185.A N MET 34.A O no hydrogen 2.666 N/A CYS 185.A SG MET 34.A O no hydrogen 3.549 N/A VAL 186.A N LYS 179.A O no hydrogen 2.919 N/A ASN 187.A N ASP 191.A OD2 no hydrogen 2.929 N/A ASN 187.A ND2 ASP 178.A OD1 no hydrogen 2.967 N/A ARG 190.A N ASN 187.A OD1 no hydrogen 2.970 N/A ARG 190.A NH1 ASP 178.A OD2 no hydrogen 2.713 N/A ARG 190.A NH2 ASP 178.A OD2 no hydrogen 2.795 N/A ARG 190.A NH2 CYS 185.A O no hydrogen 3.029 N/A ASP 191.A N ASN 187.A O no hydrogen 2.847 N/A GLN 192.A N ARG 188.A O no hydrogen 3.104 N/A