Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ist_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A ND2 GLN 31.A OE1 no hydrogen 2.847 N/A ASN 2.A ND2 GLU 228.A O no hydrogen 3.212 N/A ALA 3.A N SER 1.A OG no hydrogen 2.966 N/A LYS 4.A NZ HIS 29.A O no hydrogen 2.864 N/A LYS 4.A NZ ASP 223.A OD2 no hydrogen 2.385 N/A GLN 5.A NE2 GLY 65.A O no hydrogen 3.015 N/A ILE 7.A N GLN 31.A O no hydrogen 2.887 N/A PHE 9.A N TYR 33.A O no hydrogen 2.906 N/A ILE 10.A N VAL 69.A O no hydrogen 3.032 N/A ASP 11.A N LEU 35.A O no hydrogen 3.106 N/A GLY 13.A N ASP 11.A OD2 no hydrogen 3.122 N/A VAL 14.A N GLU 150.A OE1 no hydrogen 2.915 N/A GLY 16.A N ASP 11.A OD2 no hydrogen 2.910 N/A LEU 17.A N VAL 14.A O no hydrogen 2.963 N/A THR 18.A N GLY 15.A O no hydrogen 2.963 N/A THR 18.A OG1 GLY 15.A O no hydrogen 2.897 N/A THR 18.A OG1 THR 183.A O no hydrogen 2.972 N/A VAL 19.A N GLY 16.A O no hydrogen 2.959 N/A VAL 20.A N GLY 16.A O no hydrogen 3.095 N/A ARG 21.A N LEU 17.A O no hydrogen 2.908 N/A ARG 21.A NH1 TRP 249.A O no hydrogen 2.900 N/A VAL 23.A N VAL 19.A O no hydrogen 3.037 N/A LEU 24.A N VAL 20.A O no hydrogen 2.816 N/A LYS 25.A N ARG 21.A O no hydrogen 3.310 N/A GLN 26.A N GLU 22.A O no hydrogen 2.878 N/A GLN 26.A NE2 GLU 206.A O no hydrogen 3.055 N/A LEU 27.A N VAL 23.A O no hydrogen 2.794 N/A GLU 30.A N LEU 27.A O no hydrogen 3.051 N/A GLN 31.A NE2 ASN 2.A OD1 no hydrogen 3.013 N/A VAL 32.A N HIS 231.A ND1 no hydrogen 2.903 N/A TYR 33.A N ILE 7.A O no hydrogen 2.956 N/A TYR 34.A N ARG 232.A O no hydrogen 2.898 N/A TYR 34.A OH GLY 13.A O no hydrogen 2.682 N/A LEU 35.A N PHE 9.A O no hydrogen 2.829 N/A GLY 36.A N PHE 234.A O no hydrogen 2.925 N/A ASP 37.A N ASP 11.A O no hydrogen 2.862 N/A THR 38.A OG1 GLY 36.A O no hydrogen 3.534 N/A THR 38.A OG1 THR 235.A OG1 no hydrogen 2.702 N/A ALA 39.A N THR 236.A OG1 no hydrogen 2.934 N/A ARG 40.A N ASP 37.A O no hydrogen 2.908 N/A ARG 40.A NE ASP 37.A OD2 no hydrogen 2.810 N/A ARG 40.A NH1 GLU 57.A OE1 no hydrogen 2.879 N/A ARG 40.A NH2 ASP 37.A OD2 no hydrogen 2.909 N/A ARG 40.A NH2 GLU 57.A OE1 no hydrogen 2.847 N/A CYS 41.A N THR 38.A O no hydrogen 3.119 N/A TYR 43.A OH ASP 37.A OD2 no hydrogen 2.647 N/A ARG 46.A N TYR 43.A O no hydrogen 2.995 N/A ARG 46.A NE ARG 40.A O no hydrogen 3.225 N/A ARG 46.A NE PRO 42.A O no hydrogen 3.053 N/A ARG 46.A NH1 GLU 50.A OE1 no hydrogen 2.881 N/A ARG 46.A NH2 ARG 40.A O no hydrogen 2.890 N/A VAL 51.A N ASP 47.A O no hydrogen 2.955 N/A ALA 52.A N LYS 48.A O no hydrogen 2.890 N/A LYS 53.A N GLU 49.A O no hydrogen 2.996 N/A PHE 54.A N GLU 50.A O no hydrogen 2.945 N/A THR 55.A N VAL 51.A O no hydrogen 2.851 N/A THR 55.A OG1 VAL 51.A O no hydrogen 2.660 N/A TRP 56.A N ALA 52.A O no hydrogen 2.837 N/A TRP 56.A NE1 ASP 82.A OD2 no hydrogen 2.817 N/A GLU 57.A N LYS 53.A O no hydrogen 3.024 N/A THR 58.A OG1 THR 55.A O no hydrogen 2.857 N/A ASN 59.A N TRP 56.A O no hydrogen 2.834 N/A PHE 60.A N GLU 57.A O no hydrogen 3.126 N/A VAL 62.A N THR 58.A O no hydrogen 2.756 N/A ASP 63.A N ASN 59.A O no hydrogen 2.919 N/A ARG 64.A N LEU 61.A O no hydrogen 2.923 N/A GLY 65.A N VAL 62.A O no hydrogen 2.961 N/A LYS 67.A N ALA 6.A O no hydrogen 2.748 N/A LYS 67.A NZ GLU 30.A OE1 no hydrogen 2.585 N/A LYS 67.A NZ LEU 221.A O no hydrogen 2.825 N/A LEU 68.A N PRO 90.A O no hydrogen 2.959 N/A VAL 69.A N GLY 8.A O no hydrogen 2.780 N/A ILE 70.A N ILE 92.A O no hydrogen 2.780 N/A ALA 71.A N ILE 10.A O no hydrogen 2.825 N/A CYS 72.A SG THR 74.A OG1.A no hydrogen 3.543 N/A THR 76.A N CYS 72.A O no hydrogen 2.974 N/A THR 76.A OG1 CYS 72.A O no hydrogen 2.817 N/A ALA 77.A N ASN 73.A O no hydrogen 2.995 N/A ALA 78.A N THR 74.A O.A no hydrogen 2.904 N/A ALA 78.A N THR 74.A O.B no hydrogen 2.920 N/A ALA 79.A N ALA 75.A O no hydrogen 2.926 N/A LEU 80.A N THR 76.A O no hydrogen 3.039 N/A ILE 83.A N ALA 79.A O no hydrogen 3.001 N/A ARG 84.A N LEU 80.A O no hydrogen 2.837 N/A ARG 84.A NE VAL 91.A O no hydrogen 3.149 N/A ARG 84.A NH2 VAL 91.A O no hydrogen 2.847 N/A GLU 85.A N TYR 81.A O no hydrogen 2.892 N/A LYS 86.A N ASP 82.A O no hydrogen 3.058 N/A LYS 86.A NZ ASP 82.A OD1 no hydrogen 2.639 N/A LEU 87.A N ILE 83.A O no hydrogen 2.970 N/A ILE 92.A N LEU 68.A O no hydrogen 2.994 N/A VAL 94.A N THR 76.A OG1 no hydrogen 3.395 N/A GLY 98.A N VAL 94.A O no hydrogen 3.234 N/A SER 99.A N ILE 95.A O no hydrogen 2.950 N/A SER 99.A OG ILE 95.A O no hydrogen 2.898 N/A ARG 100.A N GLN 96.A O no hydrogen 2.933 N/A ARG 100.A NE GLU 207.A OE2 no hydrogen 2.910 N/A ARG 100.A NH2 GLU 211.A OE1 no hydrogen 2.873 N/A ALA 101.A N PRO 97.A O no hydrogen 2.938 N/A ALA 102.A N GLY 98.A O no hydrogen 2.947 N/A LEU 103.A N SER 99.A O no hydrogen 3.063 N/A LYS 104.A N ARG 100.A O no hydrogen 3.139 N/A LYS 104.A NZ GLU 207.A OE1 no hydrogen 3.064 N/A LYS 104.A NZ GLU 207.A OE2 no hydrogen 3.299 N/A ALA 105.A N ALA 101.A O no hydrogen 3.017 N/A ALA 105.A N ALA 102.A O no hydrogen 3.038 N/A THR 106.A N ALA 102.A O no hydrogen 2.984 N/A THR 106.A OG1 ASP 176.A OD1 no hydrogen 2.762 N/A ARG 107.A N ASP 176.A OD2 no hydrogen 2.837 N/A ARG 107.A NH1 ALA 105.A O no hydrogen 2.979 N/A ARG 107.A NH1 ASP 176.A O no hydrogen 3.063 N/A ARG 107.A NH2 ASP 176.A O no hydrogen 3.172 N/A ASN 108.A N ASP 176.A OD2 no hydrogen 3.010 N/A ASN 108.A ND2 LYS 174.A O no hydrogen 2.875 N/A LYS 110.A N ASN 108.A OD1 no hydrogen 2.975 N/A LYS 110.A NZ GLU 136.A OE2 no hydrogen 2.959 N/A ILE 111.A N GLU 136.A O no hydrogen 2.887 N/A GLY 112.A N THR 177.A O no hydrogen 2.859 N/A VAL 113.A N ASP 138.A O no hydrogen 2.884 N/A LEU 114.A N ILE 179.A O no hydrogen 2.930 N/A GLY 115.A N LEU 140.A O no hydrogen 3.080 N/A THR 116.A OG1 THR 119.A OG1 no hydrogen 3.159 N/A THR 119.A N THR 116.A OG1 no hydrogen 3.229 N/A THR 119.A OG1 THR 116.A OG1 no hydrogen 3.159 N/A VAL 120.A N THR 116.A O no hydrogen 2.819 N/A GLU 121.A N LEU 117.A O no hydrogen 2.912 N/A SER 122.A N GLY 118.A O no hydrogen 2.906 N/A SER 122.A OG THR 119.A O no hydrogen 2.758 N/A TYR 124.A OH ASN 73.A OD1 no hydrogen 2.491 N/A ALA 127.A N ALA 123.A O no hydrogen 2.920 N/A LEU 128.A N TYR 124.A O no hydrogen 2.821 N/A LYS 129.A N PRO 125.A O no hydrogen 2.894 N/A GLY 130.A N THR 126.A O no hydrogen 2.979 N/A LEU 131.A N ALA 127.A O no hydrogen 3.212 N/A LEU 131.A N LEU 128.A O no hydrogen 3.152 N/A ASN 132.A N LEU 128.A O no hydrogen 2.962 N/A ARG 134.A N ASN 132.A OD1 no hydrogen 2.930 N/A VAL 135.A N ASN 132.A O no hydrogen 3.115 N/A GLU 136.A N ASN 109.A O no hydrogen 2.967 N/A ASP 138.A N ILE 111.A O no hydrogen 3.016 N/A LEU 140.A N VAL 113.A O no hydrogen 2.813 N/A CYS 142.A N GLY 115.A O no hydrogen 2.883 N/A CYS 142.A SG LEU 140.A O no hydrogen 3.736 N/A PHE 145.A N CYS 142.A O no hydrogen 3.043 N/A VAL 148.A N LYS 144.A O no hydrogen 3.197 N/A VAL 149.A N PHE 145.A O no hydrogen 3.000 N/A GLU 150.A N VAL 146.A O no hydrogen 2.833 N/A SER 151.A N.A SER 147.A O.A no hydrogen 3.061 N/A SER 151.A N.A SER 147.A O.B no hydrogen 3.109 N/A SER 151.A N.B SER 147.A O.A no hydrogen 3.063 N/A SER 151.A N.B SER 147.A O.B no hydrogen 3.111 N/A SER 151.A OG.A SER 147.A O.A no hydrogen 3.002 N/A SER 151.A OG.A SER 147.A O.B no hydrogen 3.096 N/A SER 151.A OG.A VAL 148.A O no hydrogen 3.032 N/A SER 151.A OG.B SER 147.A O.A no hydrogen 2.781 N/A SER 151.A OG.B SER 147.A O.B no hydrogen 2.825 N/A GLY 152.A N VAL 149.A O no hydrogen 2.935 N/A GLU 153.A N.A VAL 148.A O no hydrogen 3.009 N/A GLU 153.A N.B VAL 148.A O no hydrogen 2.976 N/A TYR 154.A OH ASP 248.A OD2 no hydrogen 2.523 N/A LYS 155.A NZ ASP 248.A OD1 no hydrogen 2.883 N/A LYS 155.A NZ ASP 248.A OD2 no hydrogen 3.387 N/A SER 156.A N GLU 153.A O.A no hydrogen 3.201 N/A SER 156.A N GLU 153.A O.B no hydrogen 3.014 N/A SER 156.A OG GLU 153.A O.A no hydrogen 2.553 N/A SER 156.A OG GLU 153.A O.B no hydrogen 2.499 N/A ALA 159.A N SER 156.A OG no hydrogen 3.308 N/A LYS 160.A N SER 156.A O no hydrogen 3.151 N/A LYS 161.A N ALA 157.A O no hydrogen 2.988 N/A VAL 162.A N ILE 158.A O no hydrogen 2.928 N/A VAL 163.A N ALA 159.A O no hydrogen 2.944 N/A ALA 164.A N LYS 160.A O no hydrogen 3.127 N/A GLU 165.A N LYS 161.A O no hydrogen 3.006 N/A SER 166.A N VAL 162.A O no hydrogen 3.006 N/A SER 166.A OG VAL 162.A O no hydrogen 2.517 N/A LEU 167.A N VAL 163.A O no hydrogen 2.836 N/A LEU 168.A N ALA 164.A O no hydrogen 3.288 N/A LEU 170.A N LEU 167.A O no hydrogen 2.845 N/A LYS 171.A N LEU 168.A O no hydrogen 2.913 N/A LYS 171.A NZ PHE 195.A O no hydrogen 3.067 N/A SER 172.A N PRO 169.A O no hydrogen 2.918 N/A THR 173.A N LEU 170.A O no hydrogen 3.004 N/A THR 173.A OG1 LEU 170.A O no hydrogen 2.777 N/A ILE 175.A N THR 173.A OG1 no hydrogen 3.191 N/A ASP 176.A N LYS 110.A O no hydrogen 3.107 N/A THR 177.A OG1 ASP 176.A OD1 no hydrogen 2.828 N/A VAL 178.A N ALA 200.A O no hydrogen 2.860 N/A ILE 179.A N GLY 112.A O no hydrogen 2.807 N/A LEU 180.A N ILE 202.A O no hydrogen 2.944 N/A GLY 181.A N LEU 114.A O no hydrogen 2.728 N/A CYS 182.A SG HIS 184.A ND1 no hydrogen 3.747 N/A THR 183.A OG1 ALA 71.A O no hydrogen 2.947 N/A HIS 184.A NE2 GLU 150.A OE1 no hydrogen 2.708 N/A TYR 185.A N CYS 182.A O no hydrogen 2.967 N/A LEU 187.A N HIS 184.A O no hydrogen 3.168 N/A LEU 188.A N TYR 185.A O no hydrogen 2.844 N/A LYS 189.A N PRO 186.A O no hydrogen 2.996 N/A LYS 189.A NZ VAL 201.A O no hydrogen 3.467 N/A ILE 192.A N LEU 188.A O no hydrogen 2.992 N/A GLU 193.A N LYS 189.A O no hydrogen 2.891 N/A ASN 194.A N.A PRO 190.A O no hydrogen 3.008 N/A ASN 194.A N.B PRO 190.A O no hydrogen 3.031 N/A PHE 195.A N ILE 191.A O no hydrogen 3.004 N/A VAL 199.A N GLY 196.A O no hydrogen 3.411 N/A ALA 200.A N ASP 176.A O no hydrogen 2.852 N/A ILE 202.A N VAL 178.A O no hydrogen 2.786 N/A GLY 205.A N ASN 203.A OD1 no hydrogen 2.877 N/A THR 208.A N SER 204.A O no hydrogen 3.029 N/A THR 208.A OG1 SER 204.A O no hydrogen 2.837 N/A ALA 209.A N GLY 205.A O no hydrogen 2.969 N/A SER 210.A N.A GLU 206.A O no hydrogen 3.036 N/A SER 210.A N.B GLU 206.A O no hydrogen 2.995 N/A SER 210.A OG.A GLN 26.A OE1 no hydrogen 2.702 N/A SER 210.A OG.A GLU 206.A O no hydrogen 3.323 N/A GLU 211.A N GLU 207.A O no hydrogen 3.053 N/A VAL 212.A N THR 208.A O no hydrogen 3.038 N/A SER 213.A N ALA 209.A O no hydrogen 3.017 N/A ALA 214.A N SER 210.A O.A no hydrogen 2.857 N/A ALA 214.A N SER 210.A O.B no hydrogen 2.930 N/A LEU 215.A N GLU 211.A O no hydrogen 2.869 N/A LEU 216.A N VAL 212.A O no hydrogen 2.944 N/A ASP 217.A N SER 213.A O no hydrogen 3.006 N/A TYR 218.A N ALA 214.A O no hydrogen 2.946 N/A HIS 219.A N LEU 215.A O no hydrogen 2.954 N/A ASN 220.A N ASP 217.A O no hydrogen 3.174 N/A LEU 221.A N LEU 216.A O no hydrogen 2.822 N/A ASP 223.A N GLU 30.A OE2 no hydrogen 2.756 N/A THR 225.A N.A ASP 223.A OD2 no hydrogen 3.128 N/A THR 225.A N.B ASP 223.A OD2 no hydrogen 3.162 N/A THR 225.A OG1.A ASP 223.A OD1 no hydrogen 3.456 N/A THR 225.A OG1.B ASP 223.A OD1 no hydrogen 3.261 N/A THR 225.A OG1.B ASP 223.A OD2 no hydrogen 3.416 N/A GLU 230.A N GLN 31.A OE1 no hydrogen 2.882 N/A ARG 232.A N VAL 32.A O no hydrogen 2.929 N/A ARG 232.A NH2 GLU 256.A OE1.A no hydrogen 2.765 N/A ARG 232.A NH2 GLU 256.A OE1.B no hydrogen 2.753 N/A PHE 233.A N THR 254.A O no hydrogen 2.982 N/A PHE 234.A N TYR 34.A O no hydrogen 2.776 N/A THR 235.A N GLU 256.A O.A no hydrogen 2.928 N/A THR 235.A N GLU 256.A O.B no hydrogen 2.946 N/A THR 235.A OG1 GLY 36.A O no hydrogen 3.456 N/A THR 235.A OG1 THR 38.A OG1 no hydrogen 2.702 N/A THR 236.A N GLY 36.A O no hydrogen 3.155 N/A THR 236.A OG1 ASP 37.A OD1 no hydrogen 2.720 N/A GLY 237.A N THR 235.A OG1 no hydrogen 2.949 N/A GLN 240.A NE2 ASP 244.A OD1 no hydrogen 2.782 N/A PHE 242.A N SER 238.A O no hydrogen 3.385 N/A LYS 243.A N THR 239.A O no hydrogen 2.836 N/A ASP 244.A N GLN 240.A O no hydrogen 2.930 N/A ILE 245.A N ILE 241.A O no hydrogen 3.233 N/A ALA 246.A N PHE 242.A O no hydrogen 2.805 N/A LYS 247.A N LYS 243.A O no hydrogen 2.753 N/A LYS 247.A NZ PRO 252.A O no hydrogen 2.936 N/A TRP 249.A N ILE 245.A O no hydrogen 2.956 N/A LEU 250.A N.A ALA 246.A O no hydrogen 2.845 N/A LEU 250.A N.B ALA 246.A O no hydrogen 2.840 N/A ASN 251.A N.A LYS 247.A O no hydrogen 3.052 N/A ASN 251.A N.B LYS 247.A O no hydrogen 3.210 N/A GLU 256.A N.A PHE 233.A O no hydrogen 2.887 N/A GLU 256.A N.B PHE 233.A O no hydrogen 2.910 N/A HIS 257.A ND1 GLY 237.A O no hydrogen 2.789 N/A ILE 258.A N THR 235.A O no hydrogen 2.962 N/A