Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4a8j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N ASP 3.A OD1 no hydrogen 3.070 N/A SER 5.A OG ASP 3.A OD1 no hydrogen 3.190 N/A HIS 6.A N ASP 3.A O no hydrogen 3.129 N/A HIS 6.A NE2 ASP 73.A O no hydrogen 2.996 N/A VAL 7.A N ASN 71.A O no hydrogen 2.809 N/A GLY 8.A N HIS 6.A ND1 no hydrogen 2.699 N/A VAL 9.A N HIS 6.A O no hydrogen 3.308 N/A ARG 10.A N THR 19.A O no hydrogen 2.954 N/A SER 12.A N GLN 17.A O no hydrogen 2.777 N/A SER 12.A OG HIS 33.A ND1 no hydrogen 2.918 N/A ALA 14.A N SER 12.A OG no hydrogen 3.015 N/A THR 15.A N SER 12.A OG no hydrogen 3.130 N/A THR 15.A OG1 GLN 17.A OE1 no hydrogen 2.617 N/A SER 16.A N SER 12.A O no hydrogen 2.725 N/A GLN 17.A N THR 15.A OG1 no hydrogen 3.301 N/A THR 19.A N ARG 10.A O no hydrogen 2.878 N/A THR 19.A OG1 GLN 17.A O no hydrogen 2.927 N/A THR 20.A N LEU 35.A O no hydrogen 3.017 N/A THR 20.A OG1 GLY 8.A O no hydrogen 2.612 N/A SER 21.A OG ASP 28.A OD1 no hydrogen 3.561 N/A SER 21.A OG ASP 28.A OD2 no hydrogen 2.592 N/A THR 22.A N ASP 28.A OD1 no hydrogen 2.812 N/A THR 22.A OG1 ASP 28.A OD1 no hydrogen 2.817 N/A GLY 23.A N SER 21.A OG no hydrogen 3.068 N/A SER 24.A N THR 22.A OG1 no hydrogen 3.101 N/A LEU 27.A N SER 24.A OG no hydrogen 3.231 N/A ASP 28.A N SER 24.A O no hydrogen 2.971 N/A SER 29.A N ALA 25.A O no hydrogen 2.993 N/A ILE 30.A N ASP 26.A O no hydrogen 2.964 N/A LEU 31.A N LEU 27.A O no hydrogen 2.920 N/A GLY 32.A N SER 29.A O no hydrogen 3.111 N/A HIS 33.A ND1 SER 12.A OG no hydrogen 2.918 N/A HIS 33.A NE2 PRO 240.A O no hydrogen 2.931 N/A LEU 35.A N THR 20.A O no hydrogen 2.807 N/A LEU 37.A N PRO 18.A O no hydrogen 2.877 N/A GLY 38.A N VAL 180.A O no hydrogen 2.833 N/A ASN 39.A ND2 PRO 36.A O no hydrogen 3.284 N/A ASN 39.A ND2 LEU 37.A O no hydrogen 3.208 N/A SER 40.A N ASP 203.A OD2 no hydrogen 2.684 N/A SER 40.A OG ASP 203.A OD2 no hydrogen 2.923 N/A VAL 41.A N LEU 182.A O no hydrogen 2.870 N/A LEU 42.A N SER 204.A O no hydrogen 2.874 N/A VAL 43.A N ALA 184.A O no hydrogen 2.882 N/A GLU 44.A N ILE 206.A O no hydrogen 2.790 N/A GLU 45.A N ILE 186.A O no hydrogen 2.866 N/A GLN 46.A N LEU 208.A O no hydrogen 2.945 N/A GLN 46.A NE2 ASN 207.A OD1 no hydrogen 2.911 N/A SER 47.A N ASP 189.A OD2 no hydrogen 2.639 N/A SER 47.A OG GLN 46.A O no hydrogen 2.453 N/A THR 49.A OG1 GLU 45.A OE2 no hydrogen 2.664 N/A THR 49.A OG1 SER 47.A OG no hydrogen 3.290 N/A PHE 51.A N GLU 45.A OE2 no hydrogen 2.732 N/A HIS 52.A N GLU 45.A OE1 no hydrogen 2.717 N/A SER 53.A N GLU 50.A O no hydrogen 3.091 N/A SER 53.A OG GLU 50.A O no hydrogen 2.649 N/A ILE 54.A N PHE 51.A O no hydrogen 2.995 N/A GLY 56.A N HIS 52.A O no hydrogen 3.101 N/A LYS 57.A N SER 53.A O no hydrogen 3.018 N/A LYS 57.A NZ GLU 87.A OE1 no hydrogen 3.437 N/A LEU 58.A N ILE 54.A O no hydrogen 2.865 N/A PHE 59.A N LEU 55.A O no hydrogen 2.876 N/A ALA 60.A N GLY 56.A O no hydrogen 3.231 N/A ALA 60.A N LYS 57.A O no hydrogen 3.098 N/A ALA 61.A N LYS 57.A O no hydrogen 2.821 N/A GLN 62.A N LEU 58.A O no hydrogen 2.869 N/A GLN 62.A NE2 GLN 62.A O no hydrogen 3.126 N/A GLN 62.A NE2 HIS 98.A ND1 no hydrogen 3.024 N/A ILE 64.A N ALA 60.A O no hydrogen 3.157 N/A VAL 65.A N ALA 61.A O no hydrogen 2.975 N/A HIS 66.A N GLN 62.A O no hydrogen 3.045 N/A HIS 66.A NE2 TYR 96.A O no hydrogen 2.871 N/A ASN 67.A N GLY 63.A O no hydrogen 2.910 N/A ARG 68.A N ILE 64.A O no hydrogen 3.028 N/A ARG 68.A N VAL 65.A O no hydrogen 3.241 N/A ARG 68.A NE GLU 113.A OE2 no hydrogen 2.820 N/A ARG 68.A NH1 PRO 107.A O no hydrogen 2.855 N/A ARG 68.A NH2 PRO 107.A O no hydrogen 3.011 N/A ARG 68.A NH2 ALA 108.A O no hydrogen 3.314 N/A ARG 68.A NH2 GLU 113.A OE1 no hydrogen 2.814 N/A ARG 68.A NH2 GLU 113.A OE2 no hydrogen 3.558 N/A ILE 69.A N HIS 66.A O no hydrogen 3.037 N/A THR 74.A N ASN 67.A OD1 no hydrogen 2.957 N/A THR 74.A OG1 GLY 72.A O no hydrogen 2.858 N/A HIS 75.A N LEU 141.A O no hydrogen 2.917 N/A HIS 75.A ND1 SER 112.A O no hydrogen 2.953 N/A HIS 75.A NE2 THR 115.A OG1 no hydrogen 2.701 N/A VAL 76.A N GLU 113.A O no hydrogen 2.951 N/A ILE 77.A N ARG 143.A O no hydrogen 2.830 N/A VAL 78.A N THR 115.A O no hydrogen 2.863 N/A LEU 79.A N VAL 145.A O no hydrogen 2.898 N/A SER 80.A N ILE 117.A O no hydrogen 3.030 N/A ASN 82.A N SER 80.A OG no hydrogen 2.886 N/A GLU 87.A N PHE 84.A O no hydrogen 3.076 N/A GLY 90.A N THR 104.A OG1 no hydrogen 3.017 N/A TYR 92.A N GLN 99.A O no hydrogen 2.881 N/A LYS 94.A NZ ASP 95.A OD2 no hydrogen 3.543 N/A TYR 96.A N TYR 93.A O no hydrogen 3.176 N/A ASN 97.A ND2 SER 21.A OG no hydrogen 3.015 N/A ASN 97.A ND2 GLN 62.A OE1 no hydrogen 3.174 N/A HIS 98.A N GLN 62.A OE1 no hydrogen 3.081 N/A HIS 98.A NE2 ASP 95.A OD1 no hydrogen 3.050 N/A ASP 101.A N GLY 90.A O no hydrogen 2.704 N/A ILE 102.A N LYS 261.A O no hydrogen 3.296 N/A THR 103.A N ASP 101.A OD1 no hydrogen 2.978 N/A THR 103.A OG1 ASP 101.A OD1 no hydrogen 2.635 N/A THR 103.A OG1 ASP 101.A OD2 no hydrogen 3.223 N/A THR 104.A N ASP 101.A O no hydrogen 2.882 N/A THR 104.A OG1 ASP 101.A O no hydrogen 2.914 N/A ARG 105.A NH1 ILE 102.A O no hydrogen 3.126 N/A ARG 105.A NH1 THR 104.A O no hydrogen 2.811 N/A LEU 106.A N LEU 88.A O no hydrogen 3.119 N/A ILE 110.A N GLU 113.A OE1 no hydrogen 2.815 N/A GLU 113.A N ILE 110.A O no hydrogen 2.782 N/A LEU 114.A N ILE 110.A O no hydrogen 3.329 N/A THR 115.A N VAL 76.A O no hydrogen 2.801 N/A THR 115.A OG1 HIS 75.A NE2 no hydrogen 2.701 N/A ILE 117.A N VAL 78.A O no hydrogen 2.885 N/A GLN 121.A N ALA 118.A O no hydrogen 3.434 N/A GLN 121.A NE2 ALA 118.A O no hydrogen 3.099 N/A GLN 121.A NE2 GLN 129.A OE1 no hydrogen 3.163 N/A ILE 126.A N PRO 122.A O no hydrogen 3.074 N/A LEU 127.A N VAL 123.A O no hydrogen 2.957 N/A SER 128.A N SER 124.A O no hydrogen 2.935 N/A GLN 129.A N THR 125.A O no hydrogen 2.899 N/A GLN 129.A NE2 GLN 121.A OE1 no hydrogen 3.126 N/A ILE 130.A N ILE 126.A O no hydrogen 2.927 N/A GLU 131.A N LEU 127.A O no hydrogen 3.003 N/A GLN 132.A N SER 128.A O no hydrogen 2.923 N/A THR 133.A N GLN 129.A O no hydrogen 3.013 N/A THR 133.A OG1 GLN 129.A O no hydrogen 2.845 N/A ILE 134.A N ILE 130.A O no hydrogen 2.905 N/A LYS 135.A N GLU 131.A O no hydrogen 2.865 N/A ARG 136.A N GLN 132.A O no hydrogen 2.889 N/A ASN 137.A N THR 133.A O no hydrogen 3.209 N/A ASN 137.A ND2 THR 133.A O no hydrogen 3.016 N/A LYS 139.A NZ ASP 138.A OD2 no hydrogen 3.150 N/A LYS 140.A N ASN 137.A O no hydrogen 3.053 N/A LYS 140.A NZ ASN 137.A OD1 no hydrogen 3.391 N/A LEU 141.A N ASP 73.A O no hydrogen 2.923 N/A ILE 142.A N ARG 179.A O no hydrogen 2.644 N/A ARG 143.A N HIS 75.A O no hydrogen 3.156 N/A ARG 143.A NH1 SER 21.A O no hydrogen 2.866 N/A ARG 143.A NH1 PHE 59.A O no hydrogen 3.014 N/A ARG 143.A NH2 SER 21.A O no hydrogen 2.763 N/A ILE 144.A N VAL 181.A O no hydrogen 2.896 N/A VAL 145.A N ILE 77.A O no hydrogen 2.685 N/A ILE 146.A N PHE 183.A O no hydrogen 2.837 N/A SER 148.A N SER 185.A OG no hydrogen 3.066 N/A LEU 149.A N SER 185.A O no hydrogen 2.756 N/A HIS 151.A N SER 148.A O no hydrogen 3.099 N/A ALA 153.A N HIS 151.A ND1 no hydrogen 3.072 N/A GLU 159.A N LYS 157.A O no hydrogen 3.280 N/A GLU 162.A N GLU 159.A O no hydrogen 2.892 N/A ILE 163.A N GLU 159.A O no hydrogen 3.045 N/A ILE 164.A N SER 160.A O no hydrogen 2.796 N/A LEU 166.A N GLU 162.A O no hydrogen 2.933 N/A GLY 168.A N GLY 165.A O no hydrogen 2.796 N/A VAL 169.A N LEU 166.A O no hydrogen 2.759 N/A ARG 170.A NH1 ASP 203.A OD1 no hydrogen 3.146 N/A SER 171.A N HIS 167.A O no hydrogen 2.749 N/A LEU 172.A N GLY 168.A O no hydrogen 3.158 N/A VAL 173.A N VAL 169.A O no hydrogen 2.956 N/A LYS 174.A N ARG 170.A O no hydrogen 2.971 N/A LYS 174.A NZ GLY 38.A O no hydrogen 2.828 N/A LYS 174.A NZ ASP 203.A OD1 no hydrogen 2.886 N/A LYS 174.A NZ ASP 203.A OD2 no hydrogen 3.487 N/A LYS 175.A N SER 171.A O no hydrogen 2.801 N/A LYS 175.A N LEU 172.A O no hydrogen 3.026 N/A LYS 175.A NZ GLU 131.A OE2 no hydrogen 2.839 N/A TYR 176.A N LEU 172.A O no hydrogen 2.962 N/A TYR 176.A OH GLU 131.A OE2 no hydrogen 2.974 N/A ARG 179.A N TYR 176.A O no hydrogen 2.991 N/A ARG 179.A NE LYS 140.A O no hydrogen 3.132 N/A ARG 179.A NH1 ILE 134.A O no hydrogen 3.504 N/A ARG 179.A NH2 ILE 134.A O no hydrogen 2.715 N/A VAL 180.A N TYR 176.A O no hydrogen 3.168 N/A VAL 181.A N ILE 142.A O no hydrogen 2.930 N/A LEU 182.A N ASN 39.A O no hydrogen 3.358 N/A PHE 183.A N ILE 144.A O no hydrogen 2.849 N/A ALA 184.A N VAL 41.A O no hydrogen 2.934 N/A SER 185.A N ILE 146.A O no hydrogen 2.966 N/A SER 185.A OG HIS 52.A ND1 no hydrogen 3.098 N/A ILE 186.A N VAL 43.A O no hydrogen 2.949 N/A ILE 188.A N GLU 45.A O no hydrogen 3.070 N/A ILE 191.A N ILE 188.A O no hydrogen 3.033 N/A LEU 195.A N THR 192.A O no hydrogen 2.958 N/A LEU 196.A N THR 192.A O no hydrogen 3.064 N/A VAL 197.A N PRO 193.A O no hydrogen 2.935 N/A LEU 198.A N PRO 194.A O no hydrogen 3.054 N/A LEU 199.A N LEU 195.A O no hydrogen 2.902 N/A ARG 200.A N LEU 196.A O no hydrogen 2.964 N/A ARG 200.A NE GLU 44.A OE2 no hydrogen 2.658 N/A ARG 200.A NH2 GLU 44.A OE1 no hydrogen 2.853 N/A ASN 201.A N VAL 197.A O no hydrogen 3.149 N/A ASP 203.A N SER 40.A OG no hydrogen 3.142 N/A SER 204.A N SER 40.A O no hydrogen 3.168 N/A SER 204.A OG SER 40.A O no hydrogen 2.920 N/A VAL 205.A N LYS 238.A O no hydrogen 2.993 N/A ILE 206.A N LEU 42.A O no hydrogen 2.892 N/A ASN 207.A N HIS 235.A O no hydrogen 2.861 N/A ASN 207.A ND2 GLU 44.A OE1 no hydrogen 3.058 N/A LEU 208.A N GLU 44.A O no hydrogen 2.688 N/A GLU 209.A N LEU 233.A O no hydrogen 2.856 N/A PHE 211.A N HIS 231.A O no hydrogen 3.064 N/A THR 215.A OG1 PHE 211.A O no hydrogen 3.440 N/A THR 215.A OG1 ASN 212.A O no hydrogen 2.971 N/A GLU 216.A N GLN 213.A O no hydrogen 2.949 N/A PHE 217.A N GLU 214.A O no hydrogen 2.814 N/A GLU 219.A N THR 215.A O no hydrogen 2.928 N/A ARG 220.A N GLU 216.A O no hydrogen 2.929 N/A VAL 221.A N PHE 217.A O no hydrogen 2.892 N/A TYR 222.A N LEU 218.A O no hydrogen 2.888 N/A LYS 223.A N ARG 220.A O no hydrogen 3.160 N/A GLN 225.A N TYR 222.A O no hydrogen 2.800 N/A LYS 228.A N GLN 225.A O no hydrogen 2.862 N/A ILE 229.A N PRO 226.A O no hydrogen 3.251 N/A HIS 231.A N PHE 256.A O no hydrogen 2.885 N/A LEU 233.A N GLU 209.A O no hydrogen 2.846 N/A VAL 234.A N TRP 254.A O no hydrogen 2.830 N/A HIS 235.A N ASN 207.A O no hydrogen 2.837 N/A HIS 235.A NE2 GLU 209.A OE1 no hydrogen 2.740 N/A ILE 236.A N LEU 250.A O no hydrogen 2.948 N/A LEU 237.A N VAL 205.A O no hydrogen 2.929 N/A LYS 238.A NZ ARG 200.A O no hydrogen 2.686 N/A LYS 238.A NZ PHE 202.A O no hydrogen 2.924 N/A LEU 239.A N THR 243.A OG1 no hydrogen 2.898 N/A PHE 242.A N PRO 240.A O no hydrogen 2.647 N/A THR 243.A N LEU 239.A O no hydrogen 3.161 N/A THR 243.A OG1 LEU 239.A O no hydrogen 3.332 N/A ARG 245.A N VAL 241.A O no hydrogen 3.192 N/A ARG 245.A NH2 GLU 247.A OE2 no hydrogen 3.367 N/A GLY 246.A N THR 243.A O no hydrogen 2.970 N/A GLU 247.A N PHE 242.A O no hydrogen 3.159 N/A ARG 248.A NH1 GLU 247.A OE1 no hydrogen 2.855 N/A LEU 250.A N ILE 236.A O no hydrogen 2.876 N/A SER 252.A N HIS 235.A ND1 no hydrogen 2.991 N/A ALA 255.A N GLU 266.A O no hydrogen 2.847 N/A PHE 256.A N GLY 232.A O no hydrogen 2.839 N/A LYS 257.A N GLU 264.A O no hydrogen 2.853 N/A LYS 257.A NZ GLY 227.A O no hydrogen 2.922 N/A ASN 258.A N HIS 231.A ND1 no hydrogen 2.909 N/A GLY 259.A N LYS 262.A O no hydrogen 2.721 N/A GLU 264.A N LYS 257.A O no hydrogen 2.910 N/A ILE 265.A N ASP 26.A OD2 no hydrogen 2.838 N/A GLU 266.A N ALA 255.A O no hydrogen 2.889 N/A TRP 268.A N GLU 253.A O no hydrogen 3.110 N/A