Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kgy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A N ASN 1.A OD1 no hydrogen 3.362 N/A PHE 4.A N ASN 1.A O no hydrogen 3.241 N/A GLY 6.A N TYR 3.A O no hydrogen 2.817 N/A SER 7.A OG ARG 142.A O no hydrogen 2.693 N/A LYS 8.A N ASP 143.A OD1 no hydrogen 2.948 N/A LYS 8.A NZ PHE 4.A O no hydrogen 3.174 N/A LYS 8.A NZ GLN 5.A O no hydrogen 3.302 N/A VAL 9.A N ASP 163.A OD2 no hydrogen 2.817 N/A PHE 10.A N ILE 144.A O no hydrogen 2.953 N/A VAL 11.A N GLU 164.A O no hydrogen 2.989 N/A ASN 12.A ND2 GLU 166.A OE1 no hydrogen 2.811 N/A ILE 13.A N GLU 166.A O no hydrogen 2.950 N/A LEU 15.A N ALA 168.A O no hydrogen 2.904 N/A SER 16.A N PHE 20.A O no hydrogen 2.991 N/A SER 16.A OG ASP 18.A OD1 no hydrogen 2.663 N/A SER 16.A OG PHE 20.A O no hydrogen 3.456 N/A LEU 17.A N VAL 172.A O no hydrogen 2.893 N/A GLY 19.A N SER 16.A O no hydrogen 2.851 N/A PHE 20.A N SER 16.A OG no hydrogen 2.936 N/A HIS 27.A N ASP 25.A O no hydrogen 3.108 N/A HIS 27.A N ASP 25.A OD1 no hydrogen 3.049 N/A HIS 27.A ND1 ASP 25.A OD1 no hydrogen 2.723 N/A ASP 30.A N HIS 27.A O no hydrogen 2.892 N/A THR 32.A N ASP 30.A OD1 no hydrogen 3.291 N/A THR 32.A OG1 ASP 30.A OD1 no hydrogen 2.805 N/A TYR 33.A N ASP 30.A O no hydrogen 3.083 N/A LYS 34.A NZ GLU 23.A OE1.B no hydrogen 2.899 N/A LYS 34.A NZ GLU 23.A OE2.A no hydrogen 2.295 N/A LYS 34.A NZ TYR 33.A OH no hydrogen 3.463 N/A ASN 35.A N.A THR 32.A O no hydrogen 2.938 N/A ASN 35.A N.B THR 32.A O no hydrogen 2.924 N/A TRP 36.A N TYR 33.A O no hydrogen 3.039 N/A TRP 36.A NE1 HIS 27.A O no hydrogen 3.042 N/A GLY 37.A N PRO 31.A O no hydrogen 2.931 N/A LYS 39.A N ASN 35.A O.A no hydrogen 3.233 N/A LYS 39.A N ASN 35.A O.B no hydrogen 3.374 N/A LYS 39.A NZ PHE 174.A O no hydrogen 2.896 N/A TRP 40.A N TRP 36.A O no hydrogen 2.844 N/A GLY 41.A N GLY 37.A O no hydrogen 2.857 N/A ALA 42.A N ALA 38.A O no hydrogen 2.989 N/A LEU 43.A N LYS 39.A O no hydrogen 3.226 N/A TRP 45.A NE1 SER 14.A OG no hydrogen 2.962 N/A SER 48.A N.A ALA 44.A O no hydrogen 3.128 N/A SER 48.A N.B ALA 44.A O no hydrogen 3.094 N/A SER 48.A OG.A ALA 44.A O no hydrogen 3.491 N/A SER 48.A OG.A TRP 45.A O no hydrogen 2.953 N/A SER 48.A OG.B ALA 44.A O no hydrogen 2.946 N/A GLN 49.A N ALA 46.A O no hydrogen 3.152 N/A GLN 49.A NE2 TRP 45.A O no hydrogen 2.929 N/A GLN 49.A NE2 GLU 63.A OE1 no hydrogen 2.879 N/A GLN 50.A N GLU 63.A O no hydrogen 2.947 N/A TYR 51.A N ASN 68.A OD1 no hydrogen 2.780 N/A ARG 53.A N GLN 49.A O no hydrogen 2.952 N/A ARG 53.A NE THR 60.A O no hydrogen 3.111 N/A ARG 53.A NE GLY 61.A O no hydrogen 3.112 N/A ARG 53.A NH2 THR 60.A O no hydrogen 2.736 N/A GLU 54.A N GLN 50.A O no hydrogen 2.968 N/A LYS 55.A N TYR 51.A O no hydrogen 2.941 N/A LEU 56.A N LEU 52.A O no hydrogen 2.829 N/A LYS 57.A N GLU 54.A O no hydrogen 3.327 N/A LYS 57.A NZ GLU 95.A OE1 no hydrogen 3.562 N/A LEU 58.A N ARG 53.A O no hydrogen 2.919 N/A GLU 63.A N SER 48.A O.A no hydrogen 2.831 N/A GLU 63.A N SER 48.A O.B no hydrogen 2.919 N/A ASN 68.A ND2 GLN 50.A OE1 no hydrogen 3.041 N/A ASP 69.A N GLY 65.A O.A no hydrogen 3.029 N/A ASP 69.A N GLY 65.A O.B no hydrogen 2.834 N/A ARG 71.A N ASN 68.A O no hydrogen 3.118 N/A ARG 71.A NH1 ASP 69.A OD1 no hydrogen 3.163 N/A ARG 71.A NH2 ASP 69.A OD1 no hydrogen 3.083 N/A HIS 72.A N ASP 69.A O no hydrogen 3.085 N/A PHE 74.A N VAL 70.A O no hydrogen 3.153 N/A GLU 75.A N ARG 71.A O no hydrogen 2.982 N/A ARG 76.A N HIS 72.A O no hydrogen 2.887 N/A ARG 76.A NE ASP 143.A OD2 no hydrogen 2.929 N/A ARG 76.A NH1 GLU 164.A OE1 no hydrogen 3.124 N/A ARG 76.A NH2 ASP 143.A OD2 no hydrogen 2.994 N/A ARG 76.A NH2 GLU 164.A OE1 no hydrogen 2.759 N/A THR 77.A N PHE 74.A O no hydrogen 3.204 N/A THR 77.A OG1 THR 73.A O no hydrogen 2.964 N/A GLY 78.A N ASP 143.A O no hydrogen 2.729 N/A ALA 79.A N ASP 143.A O no hydrogen 3.376 N/A HIS 80.A N PRO 101.A O no hydrogen 3.139 N/A HIS 80.A ND1 THR 100.A OG1 no hydrogen 2.887 N/A ILE 81.A N ARG 145.A O no hydrogen 2.873 N/A GLY 82.A N GLY 148.A O no hydrogen 2.815 N/A LYS 83.A NZ THR 106.A OG1 no hydrogen 2.931 N/A LYS 83.A NZ GLU 108.A OE1 no hydrogen 2.676 N/A ARG 84.A NE GLU 86.A OE1 no hydrogen 2.800 N/A ARG 84.A NH2 GLU 86.A OE1 no hydrogen 3.475 N/A ARG 84.A NH2 GLU 86.A OE2 no hydrogen 2.996 N/A GLU 86.A N LYS 83.A O no hydrogen 2.876 N/A GLY 87.A N ARG 84.A O no hydrogen 3.178 N/A GLU 89.A N PHE 85.A O no hydrogen 2.728 N/A ARG 90.A N.A GLU 86.A O no hydrogen 3.393 N/A ARG 90.A N.B GLU 86.A O no hydrogen 3.398 N/A GLY 91.A N GLY 87.A O no hydrogen 2.776 N/A TRP 92.A N GLY 88.A O no hydrogen 2.751 N/A HIS 99.A N THR 119.A OG1 no hydrogen 2.798 N/A HIS 99.A ND1 GLY 117.A O no hydrogen 2.646 N/A THR 100.A OG1 HIS 80.A ND1 no hydrogen 2.887 N/A THR 100.A OG1 PRO 101.A O no hydrogen 2.769 N/A VAL 102.A N THR 120.A O no hydrogen 2.861 N/A TYR 103.A N HIS 80.A O no hydrogen 2.867 N/A VAL 104.A N TYR 122.A O no hydrogen 2.753 N/A THR 106.A N VAL 124.A O no hydrogen 3.124 N/A GLU 108.A N THR 106.A OG1 no hydrogen 3.142 N/A ARG 110.A NH1 GLU 108.A OE1 no hydrogen 3.029 N/A ARG 110.A NH2 GLU 89.A OE2 no hydrogen 2.899 N/A TRP 113.A N PHE 121.A O no hydrogen 2.947 N/A ARG 115.A N THR 119.A O no hydrogen 2.816 N/A ARG 115.A NH1 VAL 114.A O no hydrogen 2.974 N/A THR 119.A OG1 ALA 96.A O no hydrogen 3.523 N/A PHE 121.A N TRP 113.A O no hydrogen 2.869 N/A TYR 122.A N VAL 102.A O no hydrogen 2.806 N/A VAL 124.A N VAL 104.A O no hydrogen 2.855 N/A ASN 125.A ND2 THR 106.A O no hydrogen 2.860 N/A ASN 125.A ND2 GLU 108.A O no hydrogen 2.824 N/A ALA 131.A N GLY 127.A O no hydrogen 3.007 N/A LEU 132.A N PRO 128.A O no hydrogen 2.986 N/A ALA 133.A N GLU 129.A O no hydrogen 2.964 N/A LEU 134.A N GLN 130.A O.A no hydrogen 2.962 N/A LEU 134.A N GLN 130.A O.B no hydrogen 3.011 N/A ALA 135.A N ALA 131.A O no hydrogen 2.844 N/A ARG 136.A N LEU 132.A O no hydrogen 2.814 N/A ARG 136.A NH1 SER 7.A O no hydrogen 2.923 N/A GLU 137.A N ALA 133.A O no hydrogen 3.117 N/A ALA 138.A N LEU 134.A O no hydrogen 2.994 N/A ALA 139.A N ALA 135.A O no hydrogen 2.846 N/A ALA 139.A N ARG 136.A O no hydrogen 3.326 N/A ARG 142.A N ALA 139.A O no hydrogen 2.979 N/A ARG 142.A NH1 GLU 75.A O no hydrogen 3.195 N/A ASP 143.A N ARG 76.A O no hydrogen 2.818 N/A ILE 144.A N LYS 8.A O no hydrogen 2.878 N/A ARG 145.A N ALA 79.A O no hydrogen 2.915 N/A ARG 145.A NH2 ASN 12.A O no hydrogen 2.859 N/A ILE 146.A N.A PHE 10.A O no hydrogen 2.833 N/A ILE 146.A N.B PHE 10.A O no hydrogen 2.831 N/A SER 147.A N ILE 81.A O no hydrogen 2.813 N/A ILE 153.A N GLY 149.A O no hydrogen 3.057 N/A GLN 154.A N ALA 150.A O no hydrogen 2.851 N/A GLN 154.A NE2 LEU 180.A O no hydrogen 2.918 N/A GLN 155.A N ASN 151.A O no hydrogen 3.255 N/A GLN 155.A NE2 ASN 151.A O no hydrogen 3.282 N/A TYR 156.A N VAL 152.A O no hydrogen 3.168 N/A TYR 156.A OH PRO 128.A O no hydrogen 2.732 N/A LEU 157.A N ILE 153.A O no hydrogen 2.877 N/A ASN 158.A N GLN 154.A O no hydrogen 2.916 N/A ASN 158.A ND2 ASN 183.A O no hydrogen 2.881 N/A LEU 159.A N GLN 155.A O no hydrogen 2.936 N/A GLY 160.A N LEU 157.A O no hydrogen 2.971 N/A LEU 161.A N TYR 156.A O no hydrogen 3.040 N/A ASP 163.A N VAL 9.A O no hydrogen 2.781 N/A GLU 164.A N VAL 9.A O no hydrogen 3.247 N/A LEU 165.A N TYR 207.A O no hydrogen 2.932 N/A GLU 166.A N VAL 11.A O no hydrogen 2.748 N/A ILE 167.A N LEU 205.A O no hydrogen 2.883 N/A ALA 168.A N ILE 13.A O no hydrogen 2.902 N/A LEU 169.A N THR 203.A O no hydrogen 2.876 N/A ILE 170.A N LEU 15.A O no hydrogen 2.890 N/A PHE 174.A N ASP 18.A OD1 no hydrogen 2.936 N/A GLY 175.A N ASP 18.A OD2 no hydrogen 2.730 N/A ARG 178.A N ALA 21.A O no hydrogen 2.953 N/A ARG 179.A NH1 ASP 18.A O no hydrogen 2.763 N/A LEU 180.A N GLY 19.A O no hydrogen 3.007 N/A GLU 182.A N.A LEU 180.A O no hydrogen 3.092 N/A GLU 182.A N.B LEU 180.A O no hydrogen 3.096 N/A ASN 183.A ND2 GLN 154.A OE1 no hydrogen 3.042 N/A HIS 185.A N ASN 158.A OD1 no hydrogen 2.972 N/A HIS 185.A ND1 GLU 186.A O no hydrogen 2.792 N/A LEU 188.A N GLU 186.A OE1 no hydrogen 2.987 N/A ARG 192.A N VAL 208.A O.A no hydrogen 2.849 N/A ARG 192.A N VAL 208.A O.B no hydrogen 2.833 N/A ARG 192.A NH1 ILE 193.A O no hydrogen 3.489 N/A ARG 192.A NH1 ASP 194.A OD1 no hydrogen 3.214 N/A ASP 194.A N ARG 206.A O no hydrogen 2.840 N/A ARG 195.A N ARG 206.A O no hydrogen 3.284 N/A ARG 195.A NH1 HIS 204.A O no hydrogen 3.156 N/A LEU 197.A N HIS 204.A O no hydrogen 2.869 N/A SER 199.A N ALA 202.A O no hydrogen 3.025 N/A SER 199.A OG ALA 202.A O no hydrogen 2.603 N/A ALA 202.A N SER 199.A OG no hydrogen 3.123 N/A THR 203.A N LEU 169.A O no hydrogen 2.961 N/A HIS 204.A N LEU 197.A O no hydrogen 2.864 N/A LEU 205.A N ILE 167.A O no hydrogen 2.776 N/A ARG 206.A N ARG 195.A O no hydrogen 2.896 N/A ARG 206.A NE ASP 194.A OD2 no hydrogen 2.830 N/A ARG 206.A NH1 GLU 164.A OE1 no hydrogen 2.941 N/A ARG 206.A NH1 GLU 166.A OE2 no hydrogen 2.703 N/A ARG 206.A NH2 GLU 164.A OE2 no hydrogen 3.188 N/A TYR 207.A N LEU 165.A O no hydrogen 2.879 N/A VAL 208.A N.A ARG 192.A O no hydrogen 2.983 N/A VAL 208.A N.B ARG 192.A O no hydrogen 2.955 N/A ARG 209.A N ASP 163.A O no hydrogen 3.013 N/A ARG 209.A NE ASP 163.A OD1 no hydrogen 2.881 N/A ARG 209.A NH1 GLY 160.A O no hydrogen 3.408 N/A ARG 209.A NH2 GLY 160.A O no hydrogen 2.893 N/A ARG 209.A NH2 ASP 163.A OD1 no hydrogen 2.984 N/A LEU 210.A N GLN 190.A O no hydrogen 2.903 N/A