Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1a5i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 3.A N ALA 131.A O no hydrogen 3.179 N/A ARG 5.A NH1 SER 24.A O no hydrogen 2.806 N/A ARG 5.A NH1 GLU 148.A OE1 no hydrogen 2.737 N/A ARG 5.A NH2 GLU 148.A OE1 no hydrogen 3.061 N/A ARG 5.A NH2 GLU 148.A OE2 no hydrogen 3.103 N/A LYS 6.A NZ ASP 127.A OD1 no hydrogen 3.071 N/A LYS 6.A NZ ASP 127.A OD2 no hydrogen 3.124 N/A TYR 7.A OH GLU 168.A OE1 no hydrogen 3.333 N/A TYR 7.A OH GLU 168.A OE2 no hydrogen 2.591 N/A LYS 8.A N SER 24.A OG no hydrogen 3.240 N/A LYS 8.A NZ ASP 21.A OD2 no hydrogen 3.526 N/A LYS 8.A NZ THR 23.A OG1 no hydrogen 3.057 N/A GLN 11.A N PHE 19.A O no hydrogen 2.846 N/A GLN 11.A NE2 LEU 12.A O no hydrogen 3.103 N/A HIS 13.A N GLY 17.A O no hydrogen 3.088 N/A HIS 13.A ND1 SER 14.A OG no hydrogen 3.111 N/A SER 14.A OG HIS 13.A ND1 no hydrogen 3.111 N/A GLY 16.A N HIS 13.A O no hydrogen 2.716 N/A PHE 19.A N GLN 11.A O no hydrogen 2.860 N/A THR 20.A N LEU 166.A O no hydrogen 3.002 N/A THR 20.A OG1 GLU 168.A OE1 no hydrogen 3.370 N/A ILE 22.A N THR 78.A OG1 no hydrogen 3.212 N/A THR 23.A N ASP 21.A OD1 no hydrogen 2.929 N/A THR 23.A OG1 ASP 21.A OD1 no hydrogen 2.843 N/A SER 24.A N ASP 21.A O no hydrogen 3.071 N/A SER 24.A OG LYS 8.A O no hydrogen 3.534 N/A HIS 25.A N ILE 22.A O no hydrogen 2.845 N/A HIS 25.A NE2 GLU 168.A OE1 no hydrogen 3.179 N/A GLN 28.A N HIS 25.A O no hydrogen 2.949 N/A GLN 28.A NE2 ALA 29.A O no hydrogen 2.961 N/A ALA 29.A N GLY 47.A O no hydrogen 2.555 N/A ALA 30.A N VAL 74.A O no hydrogen 3.021 N/A ILE 31.A N CYS 45.A O no hydrogen 2.983 N/A PHE 32.A N LYS 72.A O no hydrogen 2.742 N/A ALA 33.A N ARG 42.A O no hydrogen 3.254 N/A GLN 34.A NE2 GLN 70.A O no hydrogen 2.758 N/A ARG 42.A N ALA 33.A O no hydrogen 3.321 N/A LEU 44.A N ILE 31.A O no hydrogen 2.970 N/A CYS 45.A N ILE 31.A O no hydrogen 3.451 N/A CYS 45.A SG LEU 44.A O no hydrogen 2.796 N/A GLY 46.A N SER 216.A O no hydrogen 3.056 N/A GLY 47.A N ALA 29.A O no hydrogen 2.630 N/A ILE 48.A N LEU 56.A O no hydrogen 2.938 N/A LEU 49.A N TRP 27.A O no hydrogen 2.859 N/A ILE 50.A N TRP 54.A O no hydrogen 3.230 N/A SER 52.A OG ALA 123.A O no hydrogen 2.462 N/A CYS 53.A SG PRO 120C.A O no hydrogen 3.844 N/A TRP 54.A N SER 51.A O no hydrogen 2.802 N/A VAL 55.A N LEU 113.A O no hydrogen 2.980 N/A LEU 56.A N ILE 48.A O no hydrogen 2.748 N/A THR 57.A N ALA 111.A O no hydrogen 2.743 N/A HIS 60.A N ASP 109.A OD1 no hydrogen 3.147 N/A HIS 60.A ND1 ASP 109.A OD2 no hydrogen 2.754 N/A CYS 61.A N ALA 58.A O no hydrogen 3.029 N/A CYS 61.A SG ALA 58.A O no hydrogen 3.438 N/A CYS 61.A SG SER 216.A O no hydrogen 3.999 N/A PHE 62.A N ALA 59.A O no hydrogen 3.155 N/A GLN 70.A N LEU 67D.A O no hydrogen 2.657 N/A GLN 70.A NE2 GLN 34.A O no hydrogen 2.894 N/A LYS 72.A N PHE 32.A O no hydrogen 2.774 N/A VAL 73.A N PHE 90.A O no hydrogen 3.252 N/A VAL 74.A N ALA 30.A O no hydrogen 2.958 N/A LEU 75.A N GLN 88.A O no hydrogen 2.838 N/A ARG 77.A NE GLU 87.A OE1 no hydrogen 2.864 N/A ARG 77.A NH1 ARG 80.A O no hydrogen 3.155 N/A ARG 77.A NH2 GLU 87.A OE1 no hydrogen 2.778 N/A ARG 77.A NH2 GLU 87.A OE2 no hydrogen 3.503 N/A ARG 80.A N GLU 164.A O no hydrogen 3.095 N/A ARG 80.A NE SER 163.A O no hydrogen 2.798 N/A ARG 80.A NH2 GLU 164.A OE1 no hydrogen 2.795 N/A LYS 82.A N TYR 79.A O no hydrogen 3.188 N/A GLY 84.A N GLU 87.A OE1 no hydrogen 3.031 N/A GLU 87.A N GLY 84.A O no hydrogen 3.203 N/A GLN 88.A N LEU 75.A O no hydrogen 2.762 N/A GLN 88.A NE2 GLN 124.A O no hydrogen 2.718 N/A PHE 90.A N VAL 73.A O no hydrogen 2.828 N/A LYS 91.A NZ ASP 69.A OD1 no hydrogen 3.331 N/A LYS 93.A N GLN 114.A O no hydrogen 2.876 N/A LYS 94.A N GLN 114.A O no hydrogen 3.437 N/A TYR 95.A OH TYR 66C.A O no hydrogen 2.890 N/A ILE 96.A N LEU 112.A O no hydrogen 2.818 N/A HIS 98.A N ILE 110.A O no hydrogen 3.105 N/A GLU 100.A N HIS 98.A ND1 no hydrogen 2.873 N/A PHE 101.A N HIS 98.A O no hydrogen 2.730 N/A ASP 102.A N ASN 107.A O no hydrogen 2.931 N/A ASP 104.A N ASP 102.A OD1 no hydrogen 2.714 N/A THR 105.A OG1 ASP 102.A OD2 no hydrogen 2.860 N/A TYR 106.A N ASP 102.A O no hydrogen 2.598 N/A ASN 108.A ND2 GLU 100.A O no hydrogen 2.665 N/A ASP 109.A N TYR 106.A O no hydrogen 3.230 N/A ALA 111.A N THR 57.A O no hydrogen 2.840 N/A LEU 112.A N ILE 96.A O no hydrogen 2.834 N/A LEU 113.A N VAL 55.A O no hydrogen 2.734 N/A GLN 114.A N LYS 94.A O no hydrogen 2.773 N/A LEU 115.A N CYS 53.A O no hydrogen 2.843 N/A ALA 123.A N SER 52.A O no hydrogen 2.732 N/A GLN 124.A N GLN 88.A OE1 no hydrogen 2.852 N/A GLN 124.A NE2 CYS 122.A O no hydrogen 3.583 N/A SER 126.A N VAL 129.A O no hydrogen 2.826 N/A SER 128.A N SER 126.A OG no hydrogen 3.274 N/A SER 128.A OG GLU 86.A OE2 no hydrogen 3.195 N/A VAL 129.A N SER 126.A O no hydrogen 2.889 N/A VAL 129.A N SER 126.A OG no hydrogen 3.151 N/A ARG 130.A N PRO 26.A O no hydrogen 3.001 N/A ARG 130.A NE GLU 125.A OE2 no hydrogen 2.831 N/A ILE 132.A N LEU 49.A O no hydrogen 3.148 N/A CYS 133.A SG MET 228.A O no hydrogen 3.509 N/A LEU 139.A N GLU 136.A O no hydrogen 3.202 N/A TRP 144.A N LEU 173.A O no hydrogen 2.731 N/A THR 145.A N PRO 142.A O no hydrogen 3.053 N/A CYS 147.A N VAL 171.A O no hydrogen 2.996 N/A CYS 147.A SG THR 145.A O no hydrogen 3.967 N/A GLU 148.A N VAL 221.A O no hydrogen 2.739 N/A LEU 149.A N GLY 169.A O no hydrogen 3.178 N/A SER 150.A OG GLN 28.A OE1 no hydrogen 2.943 N/A TYR 152.A OH ARG 77.A O no hydrogen 2.462 N/A GLY 153.A N ASP 215.A OD1 no hydrogen 2.996 N/A LYS 154.A N GLN 213.A O no hydrogen 2.721 N/A LYS 154.A NZ SER 159.A O no hydrogen 2.842 N/A HIS 155.A NE2 SER 163.A OG no hydrogen 2.743 N/A SER 159.A OG PHE 161.A O no hydrogen 3.358 N/A PHE 161.A N SER 159.A OG no hydrogen 3.209 N/A SER 163.A N TYR 152.A O no hydrogen 2.580 N/A SER 163.A N GLY 153.A O no hydrogen 2.911 N/A SER 163.A OG HIS 155.A NE2 no hydrogen 2.743 N/A SER 163.A OG GLN 165.A O no hydrogen 2.645 N/A GLN 165.A NE2 THR 20.A O no hydrogen 3.504 N/A LEU 166.A N THR 78.A O no hydrogen 2.717 N/A LYS 167.A N GLY 151.A O no hydrogen 2.731 N/A LYS 167.A NZ GLY 153.A O no hydrogen 3.545 N/A LYS 167.A NZ LYS 154.A O no hydrogen 2.947 N/A LYS 167.A NZ ASP 215.A OD1 no hydrogen 3.425 N/A LYS 167.A NZ ASP 215.A OD2 no hydrogen 2.814 N/A GLU 168.A N LEU 18.A O no hydrogen 3.139 N/A GLY 169.A N LEU 149.A O no hydrogen 2.977 N/A HIS 170.A N HIS 209.A ND1 no hydrogen 3.127 N/A VAL 171.A N CYS 147.A O no hydrogen 3.454 N/A ARG 172.A N GLY 197.A O no hydrogen 3.026 N/A ARG 172.A NH1 TRP 144.A O no hydrogen 2.732 N/A LEU 173.A N THR 145.A O no hydrogen 3.039 N/A TYR 174.A N CYS 195.A O no hydrogen 3.019 N/A ARG 178.A N PRO 175.A O no hydrogen 3.064 N/A CYS 179.A N SER 176.A O no hydrogen 2.881 N/A PHE 183.A N ALA 180.A O no hydrogen 3.181 N/A LEU 184.A N ALA 180.A O no hydrogen 3.145 N/A ASN 186.A N PRO 181A.A O no hydrogen 2.600 N/A LYS 187.A N LEU 184.A O no hydrogen 3.228 N/A ASN 192.A N THR 190.A OG1 no hydrogen 2.984 N/A ASN 192.A ND2 ASN 107.A OD1 no hydrogen 2.606 N/A MET 193.A N THR 190.A O no hydrogen 2.773 N/A LEU 194.A N TYR 249.A O no hydrogen 2.733 N/A ALA 196.A N GLY 247.A O no hydrogen 2.932 N/A GLY 197.A N ARG 172.A O no hydrogen 3.186 N/A VAL 208.A N GLY 241.A O no hydrogen 2.810 N/A HIS 209.A N ASP 198.A OD2 no hydrogen 3.090 N/A HIS 209.A NE2 GLY 16.A O no hydrogen 3.070 N/A ALA 211.A N ASP 210.A OD1 no hydrogen 2.602 N/A CYS 212.A N ASP 215.A OD2 no hydrogen 2.690 N/A CYS 212.A SG GLN 213.A OE1 no hydrogen 3.507 N/A ASP 215.A N CYS 212.A O no hydrogen 3.186 N/A SER 216.A OG HIS 60.A NE2 no hydrogen 2.796 N/A SER 216.A OG SER 235.A O no hydrogen 3.448 N/A GLY 217.A N ILE 234.A O no hydrogen 2.927 N/A GLY 218.A N ASP 215.A O no hydrogen 2.857 N/A VAL 221.A N GLU 148.A O no hydrogen 2.894 N/A CYS 222.A N THR 229.A O no hydrogen 3.017 N/A ASN 224.A N HIS 227.A O no hydrogen 3.017 N/A HIS 227.A N ASN 224.A O no hydrogen 3.200 N/A HIS 227.A ND1 CYS 2.A O no hydrogen 2.863 N/A MET 228.A N GLY 3.A O no hydrogen 2.973 N/A THR 229.A N CYS 222.A O no hydrogen 2.903 N/A THR 229.A OG1 HIS 227.A O no hydrogen 3.305 N/A LEU 230.A N CYS 133.A O no hydrogen 2.804 N/A LEU 231.A N LEU 220.A O no hydrogen 2.848 N/A GLY 232.A N LEU 220.A O no hydrogen 3.364 N/A ILE 233.A N THR 250.A O no hydrogen 3.124 N/A ILE 234.A N GLY 218.A O no hydrogen 2.871 N/A SER 235.A OG ASP 109.A OD2 no hydrogen 2.855 N/A TRP 236.A N VAL 248.A O no hydrogen 3.202 N/A CYS 240.A SG GLN 213.A OE1 no hydrogen 3.487 N/A CYS 240.A SG GLY 239.A O no hydrogen 2.840 N/A GLY 241.A N ASP 210.A OD2 no hydrogen 3.048 N/A LYS 243.A NZ GLU 203D.A O no hydrogen 3.304 N/A LYS 243.A NZ TYR 205F.A O no hydrogen 3.317 N/A VAL 245.A N GLU 242A.A O no hydrogen 3.257 N/A GLY 247.A N ALA 196.A O no hydrogen 2.803 N/A VAL 248.A N TRP 236.A O no hydrogen 2.958 N/A TYR 249.A N LEU 194.A O no hydrogen 2.794 N/A THR 250.A N ILE 233.A O no hydrogen 2.918 N/A THR 250.A OG1 ASP 109.A O no hydrogen 2.644 N/A THR 250.A OG1 ILE 233.A O no hydrogen 3.438 N/A LYS 251.A N ASN 192.A O no hydrogen 2.779 N/A ASN 254.A N LYS 251.A O no hydrogen 2.873 N/A ASN 254.A ND2 ASN 192.A OD1 no hydrogen 2.919 N/A TYR 255.A N VAL 252.A O no hydrogen 2.813 N/A TYR 255.A OH ASN 108.A OD1 no hydrogen 2.730 N/A ILE 259.A N TYR 255.A O no hydrogen 2.950 N/A ARG 260.A N LEU 256.A O no hydrogen 2.898 N/A ASP 261.A N GLY 257.A O no hydrogen 3.070 N/A ASN 262.A N TRP 258.A O no hydrogen 3.155 N/A MET 263.A N ILE 259.A O no hydrogen 2.698 N/A THR 1A.A OG1 GLU 125.A OE2 no hydrogen 3.329 N/A ARG 200A.A N ASP 198.A OD1 no hydrogen 3.007 N/A ARG 200A.A NE ASP 198.A OD1 no hydrogen 3.235 N/A SER 201B.A OG THR 199.A O no hydrogen 3.472 N/A SER 201B.A OG ASP 244.A OD1 no hydrogen 3.178 N/A SER 39D.A N SER 38C.A OG no hydrogen 2.682 N/A LEU 67D.A N GLN 70.A OE1 no hydrogen 2.837 N/A GLN 121D.A NE2 GLN 121D.A O no hydrogen 2.877 N/A GLU 203D.A N SER 201B.A O no hydrogen 2.901 N/A