Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3p8k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 6.A N PRO 3.A O no hydrogen 3.061 N/A SER 6.A OG PRO 3.A O no hydrogen 2.915 N/A HIS 7.A NE2 ASP 237.A OD1 no hydrogen 2.638 N/A LYS 8.A NZ ASP 237.A OD1 no hydrogen 3.229 N/A LYS 8.A NZ ASP 237.A OD2 no hydrogen 3.255 N/A VAL 9.A N VAL 236.A O no hydrogen 2.889 N/A GLN 10.A N VAL 41.A O no hydrogen 2.868 N/A GLN 10.A NE2 ASN 35.A O no hydrogen 2.900 N/A ILE 11.A N LEU 234.A O no hydrogen 2.669 N/A TYR 12.A N VAL 43.A O no hydrogen 2.983 N/A TYR 12.A OH GLN 10.A OE1 no hydrogen 2.748 N/A GLN 13.A N ASP 232.A O no hydrogen 2.982 N/A GLN 13.A NE2 ASN 228.A O no hydrogen 2.755 N/A GLN 13.A NE2 GLU 229.A O no hydrogen 3.631 N/A GLN 13.A NE2 SER 230.A O no hydrogen 2.843 N/A VAL 17.A N ASN 24.A OD1 no hydrogen 2.753 N/A GLY 19.A N ASN 49.A O no hydrogen 2.809 N/A SER 22.A OG ASP 20.A OD1 no hydrogen 3.004 N/A LYS 23.A N ASP 20.A OD1 no hydrogen 3.248 N/A ASN 24.A N ASP 20.A O no hydrogen 3.058 N/A ASN 24.A ND2 VAL 17.A O no hydrogen 2.824 N/A ASN 24.A ND2 ASN 48.A O no hydrogen 2.863 N/A GLU 25.A N SER 21.A O no hydrogen 3.005 N/A THR 26.A N SER 22.A O no hydrogen 2.979 N/A THR 26.A OG1 SER 22.A O no hydrogen 3.045 N/A GLN 27.A N LYS 23.A O no hydrogen 2.879 N/A ILE 28.A N ASN 24.A O no hydrogen 2.941 N/A THR 29.A N GLU 25.A O no hydrogen 2.904 N/A THR 29.A OG1 GLU 25.A O no hydrogen 3.056 N/A GLN 30.A N THR 26.A O no hydrogen 3.030 N/A TRP 31.A N GLN 27.A O no hydrogen 3.028 N/A PHE 32.A N ILE 28.A O no hydrogen 2.995 N/A GLU 33.A N THR 29.A O no hydrogen 3.040 N/A LYS 34.A N GLN 30.A O no hydrogen 2.975 N/A ASN 35.A N TRP 31.A O no hydrogen 2.894 N/A VAL 39.A N ASN 36.A O no hydrogen 3.303 N/A ASP 40.A N LYS 8.A O no hydrogen 2.877 N/A VAL 41.A N LYS 8.A O no hydrogen 3.298 N/A VAL 42.A N ASP 81.A O no hydrogen 2.952 N/A VAL 43.A N GLN 10.A O no hydrogen 2.976 N/A LEU 44.A N VAL 83.A O no hydrogen 3.084 N/A GLU 46.A N ALA 173.A O no hydrogen 3.423 N/A TRP 47.A NE1 ALA 84.A O no hydrogen 2.710 N/A ASN 48.A ND2 SER 88.A O no hydrogen 3.282 N/A TYR 51.A OH GLU 46.A OE1 no hydrogen 3.064 N/A TYR 51.A OH GLU 46.A OE2 no hydrogen 2.541 N/A TYR 51.A OH GLU 122.A OE2 no hydrogen 3.417 N/A HIS 55.A N ASP 52.A O no hydrogen 3.198 N/A HIS 55.A ND1 ASP 52.A OD1 no hydrogen 2.727 N/A LEU 56.A N LEU 53.A O no hydrogen 3.410 N/A GLU 58.A N HIS 55.A O no hydrogen 3.224 N/A LYS 59.A N HIS 55.A O no hydrogen 2.925 N/A LYS 59.A NZ GLY 19.A O no hydrogen 3.074 N/A LYS 59.A NZ ASP 52.A OD2 no hydrogen 2.782 N/A ALA 60.A N LEU 56.A O no hydrogen 2.836 N/A ASP 61.A N SER 88.A O no hydrogen 2.998 N/A ASN 62.A N ASP 61.A OD1 no hydrogen 2.780 N/A ASN 63.A N ILE 90.A O no hydrogen 2.896 N/A LEU 64.A N ASN 89.A OD1 no hydrogen 2.800 N/A GLY 65.A N ASN 62.A O no hydrogen 3.042 N/A GLN 66.A N ASP 61.A OD1 no hydrogen 2.848 N/A SER 67.A N ASP 61.A OD2 no hydrogen 2.761 N/A SER 67.A OG ASP 61.A OD2 no hydrogen 2.902 N/A PHE 68.A N LEU 64.A O no hydrogen 2.752 N/A SER 69.A N GLY 65.A O no hydrogen 3.327 N/A SER 69.A OG.A GLY 65.A O no hydrogen 2.912 N/A SER 69.A OG.A GLN 66.A O no hydrogen 2.857 N/A PHE 70.A N GLN 66.A O no hydrogen 2.982 N/A ILE 71.A N SER 67.A O no hydrogen 3.007 N/A LYS 72.A N PHE 68.A O no hydrogen 2.778 N/A LYS 72.A NZ GLU 76.A OE2 no hydrogen 3.071 N/A HIS 73.A N SER 69.A O no hydrogen 3.144 N/A LEU 74.A N PHE 70.A O no hydrogen 3.363 N/A ALA 75.A N ILE 71.A O no hydrogen 2.829 N/A GLU 76.A N LYS 72.A O no hydrogen 2.989 N/A LYS 77.A N HIS 73.A O no hydrogen 2.940 N/A TYR 78.A N LEU 74.A O no hydrogen 2.896 N/A TYR 78.A OH GLU 33.A OE2 no hydrogen 3.361 N/A VAL 80.A N ALA 75.A O no hydrogen 3.090 N/A ASP 81.A N ASP 40.A O no hydrogen 3.184 N/A ILE 82.A N VAL 102.A O no hydrogen 2.779 N/A VAL 83.A N VAL 42.A O no hydrogen 2.873 N/A GLY 85.A N VAL 83.A O no hydrogen 2.883 N/A SER 86.A OG ASN 97.A OD1 no hydrogen 2.637 N/A VAL 87.A N THR 98.A O no hydrogen 2.898 N/A SER 88.A N ASN 48.A OD1 no hydrogen 2.942 N/A SER 88.A OG ASN 48.A OD1 no hydrogen 3.065 N/A SER 88.A OG ASN 49.A OD1 no hydrogen 2.999 N/A ASN 89.A N PHE 96.A O no hydrogen 2.796 N/A ASN 89.A ND2 THR 98.A OG1 no hydrogen 3.200 N/A ILE 90.A N ASP 61.A O no hydrogen 2.778 N/A ARG 91.A N GLN 94.A O no hydrogen 2.944 N/A ARG 91.A NH1 GLU 111.A OE2 no hydrogen 2.914 N/A ARG 91.A NH1 ASP 113.A OD1 no hydrogen 2.732 N/A ARG 91.A NH1 ASP 113.A OD2 no hydrogen 3.189 N/A ARG 91.A NH2 ASP 113.A OD1 no hydrogen 3.533 N/A ARG 91.A NH2 ASP 113.A OD2 no hydrogen 2.877 N/A GLN 94.A N ARG 91.A O no hydrogen 2.957 N/A PHE 96.A N ASN 89.A O no hydrogen 2.720 N/A ASN 97.A ND2 GLU 46.A OE2 no hydrogen 2.722 N/A THR 98.A N VAL 87.A O no hydrogen 2.918 N/A THR 98.A OG1 ASP 113.A OD1 no hydrogen 2.801 N/A ALA 99.A N TYR 112.A O no hydrogen 2.754 N/A SER 101.A N ASN 110.A O no hydrogen 3.173 N/A SER 101.A OG GLN 146.A OE1 no hydrogen 2.687 N/A VAL 102.A N ILE 82.A O no hydrogen 2.906 N/A ASN 103.A N GLN 107.A O no hydrogen 3.015 N/A ASN 103.A ND2 GLN 107.A OE1 no hydrogen 2.925 N/A LYS 104.A N ASP 81.A OD1 no hydrogen 2.899 N/A SER 105.A N ASN 103.A OD1 no hydrogen 3.036 N/A SER 105.A OG ASN 103.A OD1 no hydrogen 2.874 N/A GLY 106.A N ASN 103.A O no hydrogen 2.892 N/A GLN 107.A N ASN 103.A OD1 no hydrogen 3.073 N/A ILE 109.A N SER 101.A O no hydrogen 2.960 N/A ASN 110.A ND2 GLN 146.A OE1 no hydrogen 2.969 N/A TYR 112.A N ALA 99.A O no hydrogen 2.781 N/A TYR 112.A OH ASP 151.A OD1 no hydrogen 3.350 N/A TYR 112.A OH ASP 151.A OD2 no hydrogen 2.634 N/A LYS 114.A N ASN 97.A O no hydrogen 2.798 N/A LYS 114.A NZ GLU 122.A OE1 no hydrogen 2.720 N/A LYS 114.A NZ GLU 122.A OE2 no hydrogen 3.306 N/A VAL 115.A N TYR 112.A OH no hydrogen 3.091 N/A HIS 116.A ND1 ASP 151.A OD1 no hydrogen 2.753 N/A VAL 118.A N GLU 122.A OE1 no hydrogen 2.815 N/A ARG 121.A N PRO 119.A O no hydrogen 3.171 N/A GLU 122.A N VAL 118.A O no hydrogen 3.233 N/A GLU 124.A N ARG 121.A O no hydrogen 2.917 N/A PHE 125.A N GLU 122.A O no hydrogen 3.075 N/A LEU 126.A N GLU 122.A O no hydrogen 2.617 N/A THR 127.A N ILE 95.A O no hydrogen 2.697 N/A GLY 129.A N LYS 114.A O no hydrogen 2.853 N/A PHE 136.A N VAL 144.A O no hydrogen 2.881 N/A LEU 138.A N THR 142.A O no hydrogen 2.976 N/A SER 139.A N ASP 81.A OD2 no hydrogen 2.868 N/A SER 139.A OG ASP 81.A OD1 no hydrogen 2.637 N/A SER 139.A OG ASP 81.A OD2 no hydrogen 3.414 N/A GLY 141.A N LEU 138.A O no hydrogen 2.851 N/A THR 142.A N ASP 140.A OD1 no hydrogen 3.017 N/A THR 142.A OG1 ASP 140.A OD1 no hydrogen 2.845 N/A THR 142.A OG1 ASP 140.A OD2 no hydrogen 3.011 N/A VAL 144.A N PHE 136.A O no hydrogen 2.831 N/A THR 145.A N ILE 168.A O no hydrogen 3.076 N/A GLN 146.A NE2 PHE 100.A O no hydrogen 3.007 N/A LEU 147.A N PHE 170.A O no hydrogen 2.869 N/A ILE 148.A N ASP 151.A OD2 no hydrogen 2.900 N/A CYS 149.A N VAL 172.A O no hydrogen 2.774 N/A ASP 151.A N ILE 148.A O no hydrogen 2.819 N/A LEU 152.A N CYS 149.A O no hydrogen 2.845 N/A ARG 153.A N TYR 150.A O no hydrogen 3.040 N/A ARG 153.A NH1 HIS 181.A ND1 no hydrogen 2.925 N/A ARG 153.A NH2 HIS 181.A ND1 no hydrogen 3.191 N/A PHE 154.A N ASP 151.A O no hydrogen 2.910 N/A GLU 156.A N GLU 156.A OE1 no hydrogen 2.815 N/A LEU 157.A N PHE 154.A O no hydrogen 3.323 N/A LEU 158.A N PRO 155.A O no hydrogen 3.322 N/A ARG 159.A N GLU 156.A O no hydrogen 3.293 N/A ARG 159.A NH1 GLU 192.A O no hydrogen 3.103 N/A TYR 160.A OH GLU 134.A OE1 no hydrogen 2.586 N/A ALA 162.A N LEU 158.A O no hydrogen 3.126 N/A ARG 163.A N ARG 159.A O no hydrogen 2.938 N/A SER 164.A N TYR 160.A O no hydrogen 2.993 N/A SER 164.A OG TYR 160.A O no hydrogen 2.816 N/A GLY 165.A N ALA 162.A O no hydrogen 3.034 N/A ALA 166.A N PRO 161.A O no hydrogen 2.958 N/A LYS 167.A N TYR 143.A O no hydrogen 2.816 N/A LYS 167.A NZ GLU 244.A OE2 no hydrogen 3.489 N/A ALA 169.A N PHE 195.A O no hydrogen 2.945 N/A PHE 170.A N THR 145.A O no hydrogen 2.803 N/A TYR 171.A N ILE 197.A O no hydrogen 2.820 N/A VAL 172.A N LEU 147.A O no hydrogen 2.926 N/A ALA 173.A N THR 199.A O no hydrogen 2.918 N/A TRP 175.A N ASN 200.A OD1 no hydrogen 2.725 N/A TRP 175.A NE1 ARG 178.A O no hydrogen 2.827 N/A ARG 178.A N PRO 176.A O no hydrogen 3.068 N/A TRP 182.A N ARG 178.A O no hydrogen 3.167 N/A TRP 182.A NE1 HIS 213.A O no hydrogen 3.012 N/A HIS 183.A N LEU 179.A O no hydrogen 3.213 N/A SER 184.A N GLN 180.A O no hydrogen 2.986 N/A SER 184.A OG GLN 180.A O no hydrogen 3.056 N/A SER 184.A OG GLN 180.A OE1.A no hydrogen 2.905 N/A SER 184.A OG GLN 180.A OE1.B no hydrogen 2.993 N/A LEU 185.A N HIS 181.A O no hydrogen 2.910 N/A LEU 186.A N TRP 182.A O no hydrogen 3.096 N/A LYS 187.A N HIS 183.A O no hydrogen 3.157 N/A LYS 187.A NZ GLY 221.A O no hydrogen 2.770 N/A ALA 188.A N SER 184.A O no hydrogen 3.210 N/A ARG 189.A N LEU 185.A O no hydrogen 3.007 N/A ARG 189.A NE LEU 152.A O no hydrogen 3.140 N/A ARG 189.A NH1 GLU 192.A OE2 no hydrogen 2.884 N/A ARG 189.A NH2 LEU 152.A O no hydrogen 2.860 N/A ALA 190.A N LEU 186.A O no hydrogen 3.171 N/A ILE 191.A N LYS 187.A O no hydrogen 3.179 N/A GLU 192.A N ALA 188.A O no hydrogen 2.859 N/A ASN 193.A N ARG 189.A O no hydrogen 3.406 N/A ASN 194.A N ILE 191.A O no hydrogen 3.088 N/A ASN 194.A ND2 ILE 250.A O no hydrogen 2.791 N/A PHE 195.A N LYS 167.A O no hydrogen 3.024 N/A VAL 196.A N ILE 217.A O no hydrogen 2.917 N/A ILE 197.A N ALA 169.A O no hydrogen 2.904 N/A GLY 198.A N ILE 215.A O no hydrogen 2.797 N/A THR 199.A N TYR 171.A O no hydrogen 2.889 N/A ASN 200.A N SER 214.A OG no hydrogen 2.853 N/A ASN 200.A ND2 TRP 175.A O no hydrogen 3.372 N/A ASN 200.A ND2 GLY 212.A O no hydrogen 2.772 N/A SER 201.A N ALA 173.A O no hydrogen 3.200 N/A THR 202.A N LEU 14.A O no hydrogen 3.239 N/A THR 202.A OG1 GLU 229.A O no hydrogen 2.400 N/A ASP 205.A N THR 208.A O no hydrogen 3.304 N/A ASN 207.A N ASP 205.A OD1 no hydrogen 2.884 N/A THR 208.A N ASP 205.A OD1 no hydrogen 2.866 N/A TYR 210.A N GLY 203.A O no hydrogen 2.796 N/A TYR 210.A OH ASP 205.A OD2 no hydrogen 2.763 N/A ALA 211.A N TRP 175.A O no hydrogen 2.921 N/A GLY 212.A N SER 201.A O no hydrogen 2.975 N/A HIS 213.A N ASN 228.A O no hydrogen 2.809 N/A HIS 213.A ND1 ALA 211.A O no hydrogen 2.737 N/A SER 214.A N GLN 13.A OE1 no hydrogen 2.821 N/A SER 214.A OG GLN 13.A OE1 no hydrogen 2.674 N/A ILE 215.A N GLY 198.A O no hydrogen 2.996 N/A VAL 216.A N GLY 225.A O no hydrogen 2.903 N/A ILE 217.A N VAL 196.A O no hydrogen 2.827 N/A ASN 218.A N ASP 222.A O no hydrogen 2.827 N/A ASN 220.A N ASN 218.A OD1 no hydrogen 3.105 N/A ASN 220.A ND2 ASP 222.A OD2 no hydrogen 2.858 N/A GLY 221.A N ASN 218.A O no hydrogen 2.894 N/A ASP 222.A N ASN 218.A OD1 no hydrogen 2.813 N/A VAL 224.A N VAL 216.A O no hydrogen 2.864 N/A LEU 227.A N SER 214.A O no hydrogen 2.892 N/A ASP 232.A N GLN 13.A O no hydrogen 3.301 N/A ILE 233.A N ASP 232.A OD1 no hydrogen 2.790 N/A LEU 234.A N ILE 11.A O no hydrogen 2.972 N/A VAL 236.A N VAL 9.A O no hydrogen 2.934 N/A ASN 239.A ND2.A GLU 242.A OE2 no hydrogen 3.031 N/A LEU 240.A N SER 6.A O no hydrogen 2.945 N/A ASN 241.A N ASN 239.A OD1.B no hydrogen 3.238 N/A GLU 242.A N ASN 239.A O no hydrogen 3.053 N/A VAL 243.A N LEU 240.A O no hydrogen 3.175 N/A GLN 245.A N ASN 241.A O no hydrogen 3.188 N/A GLN 246.A N GLU 242.A O no hydrogen 2.941 N/A GLN 246.A NE2 ASN 220.A OD1 no hydrogen 2.962 N/A ARG 247.A N VAL 243.A O no hydrogen 2.885 N/A ARG 247.A NE ASN 193.A O no hydrogen 3.348 N/A ARG 247.A NH1 ALA 166.A O no hydrogen 3.099 N/A ARG 247.A NH2 ALA 166.A O no hydrogen 3.023 N/A ARG 247.A NH2 ASN 193.A O no hydrogen 2.909 N/A GLU 248.A N GLU 244.A O no hydrogen 2.944 N/A ASN 249.A N GLN 245.A O no hydrogen 3.090 N/A ILE 250.A N GLN 246.A O no hydrogen 2.798 N/A VAL 252.A N ILE 250.A O no hydrogen 2.823 N/A LYS 254.A N PRO 251.A O no hydrogen 3.053 N/A SER 255.A N VAL 252.A O no hydrogen 2.946 N/A LYS 257.A N TYR 261.A OH no hydrogen 2.974 N/A LEU 260.A N LYS 257.A O no hydrogen 3.021 N/A