Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3f5q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ ASP 5.A OD2 no hydrogen 3.291 N/A LEU 6.A N LYS 3.A O no hydrogen 2.981 N/A LEU 7.A N TYR 32.A O no hydrogen 2.833 N/A ASN 8.A N ASP 5.A O no hydrogen 3.097 N/A ASN 8.A ND2 ASP 5.A O no hydrogen 2.525 N/A ARG 10.A N LEU 7.A O no hydrogen 3.122 N/A ARG 10.A NH1 ASP 9.A O no hydrogen 3.196 N/A ARG 10.A NH2 ASP 214.A OD1 no hydrogen 3.201 N/A ARG 10.A NH2 ASP 214.A OD2 no hydrogen 3.196 N/A ILE 11.A N ASP 91.A OD1 no hydrogen 2.798 N/A ILE 12.A N THR 35.A O no hydrogen 2.879 N/A LEU 13.A N GLY 92.A O no hydrogen 2.910 N/A VAL 14.A N ILE 37.A O no hydrogen 2.929 N/A THR 15.A N LEU 94.A O no hydrogen 2.995 N/A THR 15.A OG1 LEU 94.A O no hydrogen 3.390 N/A ALA 17.A N LEU 39.A O no hydrogen 3.138 N/A ARG 23.A N ASP 19.A O no hydrogen 3.269 N/A GLU 24.A N GLY 20.A O no hydrogen 3.181 N/A ALA 25.A N ILE 21.A O no hydrogen 2.745 N/A ALA 26.A N GLY 22.A O no hydrogen 2.890 N/A MET 27.A N ARG 23.A O no hydrogen 3.001 N/A THR 28.A N GLU 24.A O no hydrogen 2.800 N/A THR 28.A OG1 GLU 24.A O no hydrogen 2.887 N/A TYR 29.A N ALA 25.A O no hydrogen 2.813 N/A TYR 29.A OH TYR 208.A O no hydrogen 2.770 N/A ALA 30.A N ALA 26.A O no hydrogen 2.977 N/A ARG 31.A N MET 27.A O no hydrogen 2.854 N/A TYR 32.A N THR 28.A O no hydrogen 3.021 N/A TYR 32.A N TYR 29.A O no hydrogen 3.091 N/A GLY 33.A N ALA 30.A O no hydrogen 2.998 N/A ALA 34.A N TYR 29.A O no hydrogen 3.092 N/A THR 35.A N ARG 10.A O no hydrogen 2.863 N/A ILE 37.A N ILE 12.A O no hydrogen 2.866 N/A LEU 38.A N GLN 62.A O no hydrogen 2.968 N/A LEU 39.A N VAL 14.A O no hydrogen 2.890 N/A GLY 40.A N PHE 64.A O no hydrogen 3.253 N/A ARG 41.A NE ASP 67.A OD1 no hydrogen 3.200 N/A ARG 41.A NH2 ASP 67.A OD1 no hydrogen 3.490 N/A ARG 41.A NH2 ASP 67.A OD2 no hydrogen 3.539 N/A LYS 45.A N ASN 42.A OD1 no hydrogen 3.116 N/A LEU 46.A N ASN 42.A O no hydrogen 3.104 N/A ARG 47.A N.A GLU 43.A O no hydrogen 2.906 N/A ARG 47.A N.B GLU 43.A O no hydrogen 2.893 N/A GLN 48.A N GLU 44.A O no hydrogen 3.141 N/A VAL 49.A N LYS 45.A O no hydrogen 2.956 N/A ALA 50.A N LEU 46.A O no hydrogen 2.790 N/A SER 51.A N ARG 47.A O.A no hydrogen 2.872 N/A SER 51.A N ARG 47.A O.B no hydrogen 2.886 N/A HIS 52.A N GLN 48.A O no hydrogen 3.057 N/A ILE 53.A N VAL 49.A O no hydrogen 2.955 N/A ASN 54.A N ALA 50.A O no hydrogen 2.886 N/A GLU 55.A N SER 51.A O no hydrogen 2.841 N/A GLU 56.A N HIS 52.A O no hydrogen 2.840 N/A THR 57.A N ILE 53.A O no hydrogen 2.694 N/A THR 57.A N ASN 54.A O no hydrogen 3.225 N/A THR 57.A OG1 ALA 30.A O no hydrogen 3.395 N/A GLY 58.A N ASN 54.A O no hydrogen 2.493 N/A PHE 64.A N LEU 38.A O no hydrogen 2.895 N/A LEU 66.A N GLY 40.A O no hydrogen 2.851 N/A LEU 69.A N ASP 67.A OD1 no hydrogen 3.139 N/A THR 70.A N ASP 67.A O no hydrogen 3.064 N/A THR 70.A OG1 ASP 67.A OD2 no hydrogen 2.698 N/A CYS 71.A N ASP 67.A O no hydrogen 2.837 N/A THR 72.A N ASP 75.A OD2 no hydrogen 2.944 N/A ASP 75.A N THR 72.A OG1 no hydrogen 3.049 N/A CYS 76.A N THR 72.A O no hydrogen 3.078 N/A CYS 76.A SG THR 72.A O no hydrogen 3.521 N/A GLN 77.A N SER 73.A O no hydrogen 2.879 N/A GLN 78.A N GLU 74.A O no hydrogen 2.849 N/A GLN 78.A NE2 GLN 81.A OE1 no hydrogen 3.516 N/A LEU 79.A N ASP 75.A O no hydrogen 2.974 N/A ALA 80.A N CYS 76.A O no hydrogen 3.020 N/A GLN 81.A N GLN 77.A O no hydrogen 2.988 N/A ARG 82.A N GLN 78.A O no hydrogen 2.981 N/A ILE 83.A N LEU 79.A O no hydrogen 2.860 N/A ALA 84.A N ALA 80.A O no hydrogen 2.940 N/A VAL 85.A N GLN 81.A O no hydrogen 3.048 N/A ASN 86.A N ILE 83.A O no hydrogen 2.877 N/A TYR 87.A N ILE 83.A O no hydrogen 2.833 N/A ARG 89.A NE ASP 91.A OD1 no hydrogen 2.799 N/A ARG 89.A NE ASP 91.A OD2 no hydrogen 3.057 N/A ARG 89.A NH2 ASP 9.A O no hydrogen 2.892 N/A ARG 89.A NH2 ASP 91.A OD1 no hydrogen 3.180 N/A LEU 90.A N LEU 135.A O no hydrogen 3.077 N/A ASP 91.A N ILE 11.A O no hydrogen 2.739 N/A GLY 92.A N ILE 11.A O no hydrogen 3.120 N/A VAL 93.A N SER 143.A O no hydrogen 2.849 N/A LEU 94.A N LEU 13.A O no hydrogen 2.871 N/A HIS 95.A N VAL 145.A O no hydrogen 2.811 N/A ASN 96.A N THR 15.A OG1 no hydrogen 2.788 N/A ASN 96.A ND2 THR 15.A O no hydrogen 3.363 N/A ASN 96.A ND2 GLY 16.A O no hydrogen 3.011 N/A ALA 97.A N THR 15.A OG1 no hydrogen 2.990 N/A LEU 99.A N ASN 121.A OD1 no hydrogen 2.902 N/A CYS 104.A N ASN 158.A O no hydrogen 2.946 N/A CYS 104.A SG PRO 105.A O no hydrogen 3.769 N/A SER 107.A OG GLU 108.A OE2 no hydrogen 2.701 N/A GLU 108.A N PRO 105.A O no hydrogen 2.801 N/A GLN 109.A N PRO 105.A O no hydrogen 3.003 N/A GLN 109.A NE2 ASP 102.A O no hydrogen 3.036 N/A GLN 109.A NE2 CYS 104.A O no hydrogen 3.013 N/A ASP 110.A N ASP 102.A OD2 no hydrogen 2.845 N/A GLN 112.A N ASP 110.A OD1 no hydrogen 2.832 N/A TRP 114.A N ASP 110.A O no hydrogen 2.873 N/A GLN 115.A N PRO 111.A O no hydrogen 2.969 N/A ASP 116.A N GLN 112.A O no hydrogen 2.967 N/A VAL 117.A N VAL 113.A O no hydrogen 2.915 N/A MET 118.A N TRP 114.A O no hydrogen 3.089 N/A GLN 119.A N GLN 115.A O no hydrogen 2.837 N/A VAL 120.A N ASP 116.A O no hydrogen 2.936 N/A ASN 121.A N VAL 117.A O no hydrogen 2.884 N/A ASN 121.A ND2 LEU 99.A O no hydrogen 3.053 N/A ASN 121.A ND2 SER 165.A OG no hydrogen 3.004 N/A VAL 122.A N MET 118.A O no hydrogen 3.010 N/A ASN 123.A N MET 118.A O no hydrogen 3.081 N/A ASN 123.A ND2 GLN 119.A OE1 no hydrogen 2.869 N/A ALA 124.A N GLN 119.A O no hydrogen 2.795 N/A THR 125.A OG1 VAL 120.A O no hydrogen 2.847 N/A THR 125.A OG1 ASN 121.A O no hydrogen 3.302 N/A PHE 126.A N VAL 122.A O no hydrogen 2.811 N/A MET 127.A N ASN 123.A O no hydrogen 2.830 N/A LEU 128.A N ALA 124.A O no hydrogen 2.845 N/A THR 129.A N THR 125.A O no hydrogen 3.012 N/A THR 129.A OG1 HIS 95.A NE2 no hydrogen 2.857 N/A THR 129.A OG1 THR 125.A O no hydrogen 2.764 N/A GLN 130.A N PHE 126.A O no hydrogen 2.774 N/A ALA 131.A N MET 127.A O no hydrogen 3.114 N/A LEU 132.A N LEU 128.A O no hydrogen 3.137 N/A LEU 132.A N THR 129.A O no hydrogen 3.090 N/A LEU 133.A N THR 129.A O no hydrogen 3.075 N/A LEU 136.A N LEU 132.A O no hydrogen 3.070 N/A LEU 137.A N LEU 133.A O no hydrogen 2.916 N/A LYS 138.A N LEU 135.A O no hydrogen 3.055 N/A SER 139.A N LEU 136.A O no hydrogen 3.134 N/A SER 139.A OG ASP 91.A OD2 no hydrogen 2.665 N/A ALA 141.A N SER 139.A OG no hydrogen 3.077 N/A SER 143.A N ASP 91.A O no hydrogen 2.830 N/A SER 143.A OG LEU 211.A O no hydrogen 2.863 N/A LEU 144.A N ARG 185.A O no hydrogen 2.839 N/A VAL 145.A N VAL 93.A O no hydrogen 2.842 N/A PHE 146.A N ASN 187.A O no hydrogen 2.964 N/A THR 147.A OG1 HIS 95.A O no hydrogen 2.666 N/A SER 148.A N ILE 189.A O no hydrogen 2.817 N/A SER 148.A OG SER 149.A O no hydrogen 3.488 N/A SER 148.A OG GLU 170.A OE2 no hydrogen 2.614 N/A SER 149.A N SER 148.A OG no hydrogen 2.662 N/A VAL 151.A N SER 149.A OG no hydrogen 3.304 N/A GLY 152.A N SER 149.A O no hydrogen 2.841 N/A ARG 153.A N SER 150.A O no hydrogen 3.214 N/A ARG 153.A NE GLU 170.A OE2 no hydrogen 2.842 N/A ARG 153.A NE THR 223.A OG1 no hydrogen 3.298 N/A ARG 153.A NH1 ASP 225.A OD1 no hydrogen 2.811 N/A ARG 153.A NH2 THR 223.A OG1 no hydrogen 2.691 N/A ARG 153.A NH2 ASP 225.A OD1 no hydrogen 2.955 N/A GLN 154.A N SER 150.A O no hydrogen 3.204 N/A TRP 159.A N ARG 156.A O no hydrogen 3.286 N/A ALA 161.A N GLN 109.A OE1 no hydrogen 3.251 N/A ALA 163.A N TRP 159.A O no hydrogen 2.966 N/A ALA 164.A N GLY 160.A O no hydrogen 3.156 N/A SER 165.A N ALA 161.A O no hydrogen 2.774 N/A SER 165.A OG ALA 161.A O no hydrogen 3.445 N/A SER 165.A OG TYR 162.A O no hydrogen 2.769 N/A LYS 166.A N TYR 162.A O no hydrogen 2.883 N/A LYS 166.A N ALA 163.A O no hydrogen 3.067 N/A LYS 166.A NZ THR 147.A O no hydrogen 2.757 N/A PHE 167.A N ALA 163.A O no hydrogen 2.874 N/A ALA 168.A N ALA 164.A O no hydrogen 2.969 N/A THR 169.A N SER 165.A O no hydrogen 3.015 N/A THR 169.A OG1 SER 165.A O no hydrogen 2.818 N/A GLU 170.A N LYS 166.A O no hydrogen 2.940 N/A GLY 171.A N PHE 167.A O no hydrogen 2.924 N/A MET 172.A N ALA 168.A O no hydrogen 2.877 N/A MET 173.A N THR 169.A O no hydrogen 2.904 N/A GLN 174.A N GLU 170.A O no hydrogen 2.953 N/A VAL 175.A N GLY 171.A O no hydrogen 2.922 N/A LEU 176.A N MET 172.A O no hydrogen 2.968 N/A ALA 177.A N MET 173.A O no hydrogen 2.851 N/A ASP 178.A N GLN 174.A O no hydrogen 3.055 N/A GLU 179.A N VAL 175.A O no hydrogen 2.914 N/A TYR 180.A N LEU 176.A O no hydrogen 2.900 N/A GLN 181.A NE2.A ASP 178.A O no hydrogen 2.616 N/A ARG 183.A N TYR 180.A O no hydrogen 2.854 N/A ARG 183.A NH2 GLU 179.A O no hydrogen 3.012 N/A LEU 184.A N TYR 180.A O no hydrogen 3.001 N/A ARG 185.A N GLY 142.A O no hydrogen 3.019 N/A ARG 185.A NH1 GLY 213.A O no hydrogen 3.028 N/A ARG 185.A NH1 SER 216.A OG no hydrogen 2.970 N/A ARG 185.A NH2 ALA 141.A O no hydrogen 2.705 N/A VAL 186.A N THR 220.A OG1 no hydrogen 2.903 N/A ASN 187.A N LEU 144.A O no hydrogen 3.092 N/A ASN 187.A ND2 LYS 219.A O no hydrogen 3.057 N/A CYS 188.A N MET 222.A O no hydrogen 2.934 N/A CYS 188.A SG GLU 170.A OE1 no hydrogen 3.632 N/A ILE 189.A N PHE 146.A O no hydrogen 2.821 N/A ASN 190.A N PHE 224.A O no hydrogen 2.803 N/A ASN 190.A ND2 ASP 225.A OD1 no hydrogen 3.015 N/A GLY 192.A N ASN 190.A OD1 no hydrogen 2.950 N/A THR 194.A OG1 LYS 199.A O no hydrogen 3.156 N/A ARG 195.A N LYS 199.A O no hydrogen 3.246 N/A THR 200.A N ASP 203.A OD2 no hydrogen 2.948 N/A ASP 203.A N THR 200.A OG1 no hydrogen 3.099 N/A ILE 204.A N PRO 201.A O no hydrogen 3.094 N/A MET 205.A N ALA 202.A O no hydrogen 3.269 N/A LEU 209.A N MET 205.A O no hydrogen 2.935 N/A TRP 210.A N PRO 206.A O no hydrogen 2.873 N/A LEU 211.A N LEU 207.A O no hydrogen 2.969 N/A MET 212.A N LEU 209.A O no hydrogen 3.072 N/A GLY 213.A N LEU 209.A O no hydrogen 3.030 N/A GLY 213.A N TRP 210.A O no hydrogen 3.323 N/A SER 216.A N GLY 213.A O no hydrogen 3.367 N/A SER 216.A OG TRP 210.A O no hydrogen 2.872 N/A SER 216.A OG GLY 213.A O no hydrogen 3.268 N/A ARG 217.A N ASP 214.A O no hydrogen 3.094 N/A ARG 217.A NH1 ASP 214.A OD1 no hydrogen 3.254 N/A LYS 219.A N SER 216.A O no hydrogen 2.886 N/A THR 220.A OG1 VAL 186.A O no hydrogen 3.391 N/A GLY 221.A N VAL 186.A O no hydrogen 2.655 N/A MET 222.A N ASN 187.A OD1 no hydrogen 2.926 N/A THR 223.A OG1 GLU 170.A OE1 no hydrogen 3.317 N/A THR 223.A OG1 GLU 170.A OE2 no hydrogen 2.799 N/A PHE 224.A N CYS 188.A O no hydrogen 2.959 N/A ALA 226.A N ASN 190.A O no hydrogen 2.866 N/A GLN 227.A NE2 PRO 191.A O no hydrogen 2.684 N/A GLN 227.A NE2 GLY 193.A O no hydrogen 2.889 N/A