Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8ie5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N GLU 61.A OE2 no hydrogen 3.030 N/A PHE 3.A N GLU 83.A OE2 no hydrogen 2.931 N/A ARG 4.A N VAL 81.A O no hydrogen 3.229 N/A ARG 4.A NH1 GLU 80.A OE2 no hydrogen 2.693 N/A ARG 4.A NH2 GLU 6.A OE2 no hydrogen 3.021 N/A GLN 5.A NE2 GLU 83.A OE2 no hydrogen 3.095 N/A ASP 9.A N ASN 7.A OD1 no hydrogen 3.120 N/A ASP 10.A N ASN 7.A O no hydrogen 3.009 N/A TYR 11.A N VAL 8.A O no hydrogen 3.026 N/A TYR 11.A OH GLU 6.A OE1 no hydrogen 2.410 N/A TYR 12.A N VAL 8.A O no hydrogen 2.974 N/A TYR 12.A OH GLU 80.A OE1 no hydrogen 2.680 N/A ASP 13.A N ARG 30.A O no hydrogen 2.974 N/A GLY 15.A N LYS 28.A O no hydrogen 2.752 N/A LEU 18.A N VAL 26.A O no hydrogen 2.782 N/A GLY 19.A N VAL 26.A O no hydrogen 3.352 N/A GLY 21.A N ALA 24.A O no hydrogen 2.716 N/A VAL 25.A N PHE 42.A O no hydrogen 3.110 N/A VAL 26.A N GLY 19.A O no hydrogen 2.799 N/A LYS 27.A N ALA 40.A O no hydrogen 2.855 N/A LYS 27.A NZ GLU 17.A OE1 no hydrogen 2.961 N/A LYS 28.A N GLU 16.A O no hydrogen 2.822 N/A CYS 29.A N TYR 38.A O no hydrogen 2.873 N/A ARG 30.A N ASP 13.A O no hydrogen 2.847 N/A GLU 31.A N LEU 36.A O no hydrogen 2.832 N/A LYS 32.A N TYR 11.A O no hydrogen 2.872 N/A LYS 32.A NZ ASP 9.A O no hydrogen 2.843 N/A THR 34.A OG1 GLU 31.A OE1 no hydrogen 2.910 N/A GLY 35.A N GLU 31.A O no hydrogen 2.893 N/A LEU 36.A N THR 34.A OG1 no hydrogen 3.169 N/A TYR 38.A N CYS 29.A O no hydrogen 2.947 N/A ALA 39.A N LEU 92.A O no hydrogen 2.797 N/A ALA 40.A N LYS 27.A O no hydrogen 2.756 N/A LYS 41.A N LEU 90.A O no hydrogen 2.823 N/A LYS 41.A NZ GLU 63.A OE2 no hydrogen 3.050 N/A PHE 42.A N VAL 25.A O no hydrogen 2.763 N/A ILE 43.A N VAL 88.A O no hydrogen 2.789 N/A LYS 44.A N PHE 23.A O no hydrogen 2.893 N/A LYS 44.A NZ ASP 87.A OD1 no hydrogen 3.544 N/A LYS 44.A NZ ASP 87.A OD2 no hydrogen 3.424 N/A LYS 45.A N THR 86.A O no hydrogen 2.958 N/A LYS 45.A NZ GLU 83.A OE1 no hydrogen 2.657 N/A LYS 45.A NZ ASN 84.A O no hydrogen 2.742 N/A ARG 46.A N VAL 55.A O no hydrogen 3.204 N/A SER 51.A N THR 48.A O no hydrogen 3.498 N/A ARG 53.A N SER 51.A OG no hydrogen 3.151 N/A VAL 55.A N LYS 44.A O no hydrogen 2.800 N/A ARG 57.A NE GLU 61.A OE2 no hydrogen 2.877 N/A ARG 57.A NH1 GLU 83.A OE1 no hydrogen 2.795 N/A ARG 57.A NH2 THR 1.A O no hydrogen 2.613 N/A ARG 57.A NH2 GLU 83.A OE1 no hydrogen 3.226 N/A ARG 57.A NH2 GLU 83.A OE2 no hydrogen 3.293 N/A ASP 59.A N SER 56.A OG no hydrogen 3.130 N/A ILE 60.A N SER 56.A O no hydrogen 2.982 N/A GLU 61.A N ARG 57.A O no hydrogen 2.851 N/A ARG 62.A N GLU 58.A O no hydrogen 3.046 N/A ARG 62.A NH1 ASP 59.A OD1 no hydrogen 2.811 N/A GLU 63.A N ASP 59.A O no hydrogen 3.143 N/A VAL 64.A N ILE 60.A O no hydrogen 2.970 N/A SER 65.A N GLU 61.A O no hydrogen 2.830 N/A ILE 66.A N ARG 62.A O no hydrogen 2.952 N/A LEU 67.A N GLU 63.A O no hydrogen 2.890 N/A LYS 68.A N VAL 64.A O no hydrogen 2.839 N/A GLU 69.A N ILE 66.A O no hydrogen 2.951 N/A ILE 70.A N LEU 67.A O no hydrogen 3.322 N/A GLN 71.A N TYR 123.A OH no hydrogen 2.827 N/A ASN 74.A N HIS 72.A ND1 no hydrogen 2.986 N/A ASN 74.A ND2 GLN 116.A OE1 no hydrogen 3.380 N/A ASN 74.A ND2 ILE 151.A O no hydrogen 3.009 N/A VAL 75.A N HIS 72.A O no hydrogen 3.191 N/A ILE 76.A N ILE 153.A O no hydrogen 3.091 N/A THR 77.A N GLU 93.A OE1 no hydrogen 3.286 N/A THR 77.A OG1 GLU 93.A OE1 no hydrogen 3.269 N/A HIS 79.A N ILE 91.A O no hydrogen 2.703 N/A GLU 80.A N ILE 91.A O no hydrogen 3.310 N/A TYR 82.A N ILE 89.A O no hydrogen 2.831 N/A TYR 82.A OH GLU 80.A OE1 no hydrogen 2.936 N/A GLU 83.A N ARG 4.A O no hydrogen 2.814 N/A ASN 84.A N ASP 87.A O no hydrogen 2.933 N/A THR 86.A N ASN 84.A OD1 no hydrogen 2.962 N/A ASP 87.A N ASN 84.A OD1 no hydrogen 2.898 N/A VAL 88.A N ILE 43.A O no hydrogen 2.942 N/A ILE 89.A N TYR 82.A O no hydrogen 2.746 N/A LEU 90.A N LYS 41.A O no hydrogen 2.927 N/A ILE 91.A N GLU 80.A O no hydrogen 2.754 N/A LEU 92.A N ALA 39.A O no hydrogen 2.744 N/A GLU 93.A N THR 77.A O no hydrogen 2.887 N/A GLY 97.A N LEU 141.A O no hydrogen 2.788 N/A LEU 100.A N ILE 139.A O no hydrogen 2.735 N/A PHE 103.A N GLU 99.A O no hydrogen 2.976 N/A SER 104.A OG LEU 205.A O no hydrogen 3.257 N/A LEU 105.A N LEU 204.A O no hydrogen 3.315 N/A THR 106.A N GLU 109.A OE1 no hydrogen 3.108 N/A GLU 109.A N THR 106.A OG1 no hydrogen 3.163 N/A ALA 110.A N THR 106.A O no hydrogen 2.804 N/A THR 111.A N GLU 107.A O no hydrogen 2.797 N/A THR 111.A OG1 GLU 107.A O no hydrogen 2.780 N/A THR 111.A OG1 GLU 108.A O no hydrogen 3.088 N/A GLU 112.A N GLU 108.A O no hydrogen 2.910 N/A PHE 113.A N GLU 109.A O no hydrogen 3.315 N/A LEU 114.A N ALA 110.A O no hydrogen 2.757 N/A LYS 115.A N THR 111.A O no hydrogen 2.733 N/A GLN 116.A NE2 GLU 112.A O no hydrogen 3.419 N/A GLN 116.A NE2 PRO 149.A O no hydrogen 2.809 N/A ILE 117.A N PHE 113.A O no hydrogen 3.004 N/A LEU 118.A N LEU 114.A O no hydrogen 2.788 N/A ASN 119.A N LYS 115.A O no hydrogen 2.861 N/A GLY 120.A N GLN 116.A O no hydrogen 2.980 N/A VAL 121.A N ILE 117.A O no hydrogen 2.872 N/A TYR 122.A N LEU 118.A O no hydrogen 2.735 N/A TYR 123.A N ASN 119.A O no hydrogen 3.124 N/A LEU 124.A N GLY 120.A O no hydrogen 3.073 N/A HIS 125.A N VAL 121.A O no hydrogen 2.786 N/A HIS 125.A NE2 ASP 193.A OD2 no hydrogen 2.868 N/A SER 126.A N TYR 122.A O no hydrogen 2.856 N/A SER 126.A OG TYR 122.A O no hydrogen 2.618 N/A LEU 127.A N TYR 123.A O no hydrogen 3.192 N/A GLN 128.A N HIS 125.A O no hydrogen 2.922 N/A GLN 128.A NE2 ILE 162.A O no hydrogen 2.929 N/A ILE 129.A N LEU 124.A O no hydrogen 2.922 N/A ALA 130.A N HIS 160.A O no hydrogen 2.954 N/A HIS 131.A N ASP 193.A OD2 no hydrogen 2.801 N/A HIS 131.A NE2 ILE 154.A O no hydrogen 2.984 N/A PHE 132.A N ASP 193.A OD1 no hydrogen 2.890 N/A ASP 133.A N HIS 131.A ND1 no hydrogen 2.965 N/A LYS 135.A NZ THR 174.A OG1 no hydrogen 2.777 N/A ASN 138.A N LYS 135.A O no hydrogen 2.787 N/A ASN 138.A ND2 ASP 133.A O no hydrogen 2.774 N/A ASN 138.A ND2 ASP 133.A OD2 no hydrogen 3.134 N/A ILE 139.A N PRO 136.A O no hydrogen 3.144 N/A MET 140.A N LYS 152.A O no hydrogen 3.006 N/A LEU 141.A N GLY 98.A O no hydrogen 2.857 N/A LEU 142.A N ARG 150.A O no hydrogen 2.827 N/A ASN 145.A N ASP 143.A OD1 no hydrogen 2.845 N/A LYS 148.A NZ GLU 108.A OE2 no hydrogen 3.374 N/A ILE 151.A N GLN 116.A OE1 no hydrogen 2.873 N/A LYS 152.A N MET 140.A O no hydrogen 2.852 N/A LYS 152.A NZ VAL 75.A O no hydrogen 3.090 N/A LYS 152.A NZ GLU 93.A OE1 no hydrogen 2.594 N/A LYS 152.A NZ GLU 93.A OE2 no hydrogen 2.989 N/A ILE 153.A N ASN 74.A O no hydrogen 2.832 N/A ILE 154.A N ASN 138.A O no hydrogen 2.893 N/A GLY 157.A N ASP 155.A OD1 no hydrogen 3.057 N/A ALA 159.A N PHE 156.A O no hydrogen 3.221 N/A HIS 160.A N ALA 130.A O no hydrogen 2.967 N/A HIS 160.A ND1 LEU 158.A O no hydrogen 2.790 N/A LYS 161.A NZ GLU 69.A OE1 no hydrogen 2.923 N/A LYS 161.A NZ LEU 127.A O no hydrogen 2.945 N/A ILE 162.A N GLN 128.A O no hydrogen 2.727 N/A GLU 167.A N LEU 188.A O no hydrogen 2.644 N/A LYS 169.A NZ HIS 160.A NE2 no hydrogen 3.037 N/A PHE 177.A N THR 174.A O no hydrogen 2.892 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.791 N/A ILE 182.A N ALA 179.A O no hydrogen 2.990 N/A VAL 183.A N ALA 179.A O no hydrogen 3.188 N/A ASN 184.A N PRO 180.A O no hydrogen 2.848 N/A ASN 184.A ND2 PRO 180.A O no hydrogen 3.068 N/A ASN 184.A ND2 SER 224.A OG no hydrogen 2.895 N/A TYR 185.A N ILE 182.A O no hydrogen 3.116 N/A GLU 186.A N GLU 181.A O no hydrogen 2.845 N/A LEU 188.A N GLU 167.A O no hydrogen 2.808 N/A ALA 192.A N GLY 189.A O no hydrogen 3.262 N/A ASP 193.A N LEU 190.A O no hydrogen 3.159 N/A MET 194.A N GLU 191.A O no hydrogen 2.975 N/A TRP 195.A N GLU 191.A O no hydrogen 3.233 N/A SER 196.A N ALA 192.A O no hydrogen 3.163 N/A SER 196.A OG PHE 177.A O no hydrogen 2.817 N/A SER 196.A OG ALA 192.A O no hydrogen 3.307 N/A ILE 197.A N ASP 193.A O no hydrogen 2.965 N/A GLY 198.A N MET 194.A O no hydrogen 3.117 N/A VAL 199.A N TRP 195.A O no hydrogen 3.075 N/A ILE 200.A N SER 196.A O no hydrogen 2.912 N/A THR 201.A N ILE 197.A O no hydrogen 2.825 N/A THR 201.A OG1 ILE 197.A O no hydrogen 2.812 N/A TYR 202.A N GLY 198.A O no hydrogen 3.018 N/A TYR 202.A OH GLU 229.A O no hydrogen 2.593 N/A ILE 203.A N VAL 199.A O no hydrogen 3.052 N/A LEU 204.A N ILE 200.A O no hydrogen 2.868 N/A LEU 205.A N THR 201.A O no hydrogen 3.123 N/A SER 206.A N TYR 202.A O no hydrogen 3.172 N/A SER 206.A N ILE 203.A O no hydrogen 3.306 N/A SER 206.A OG TYR 202.A O no hydrogen 2.769 N/A GLY 207.A N ILE 203.A O no hydrogen 2.769 N/A ALA 208.A N SER 206.A OG no hydrogen 3.037 N/A SER 209.A OG GLU 176.A OE1 no hydrogen 2.837 N/A GLY 213.A N THR 219.A OG1 no hydrogen 2.874 N/A ASP 214.A N GLU 218.A OE1 no hydrogen 3.221 N/A GLN 217.A N GLN 217.A OE1 no hydrogen 2.880 N/A GLU 218.A N THR 215.A OG1 no hydrogen 3.187 N/A THR 219.A N THR 215.A O no hydrogen 3.043 N/A THR 219.A OG1 THR 215.A O no hydrogen 3.301 N/A LEU 220.A N LYS 216.A O no hydrogen 2.942 N/A ALA 221.A N GLN 217.A O no hydrogen 2.918 N/A ASN 222.A N GLU 218.A O no hydrogen 2.901 N/A ASN 222.A ND2 PHE 211.A O no hydrogen 3.039 N/A VAL 223.A N THR 219.A O no hydrogen 2.880 N/A SER 224.A N LEU 220.A O no hydrogen 3.042 N/A ALA 225.A N ALA 221.A O no hydrogen 3.137 N/A VAL 226.A N VAL 223.A O no hydrogen 3.043 N/A ASN 227.A N ASN 222.A O no hydrogen 2.864 N/A TYR 228.A N VAL 226.A O no hydrogen 3.155 N/A TYR 234.A N GLU 231.A O no hydrogen 2.895 N/A PHE 235.A N GLU 231.A O no hydrogen 2.805 N/A THR 238.A N PHE 235.A O no hydrogen 3.005 N/A SER 239.A N GLU 107.A OE2 no hydrogen 2.762 N/A SER 239.A OG GLU 107.A OE1 no hydrogen 2.703 N/A SER 239.A OG GLU 107.A OE2 no hydrogen 3.472 N/A ALA 242.A N SER 239.A OG no hydrogen 3.099 N/A LYS 243.A N SER 239.A O no hydrogen 3.241 N/A ASP 244.A N ALA 240.A O no hydrogen 2.817 N/A PHE 245.A N LEU 241.A O no hydrogen 3.021 N/A ILE 246.A N ALA 242.A O no hydrogen 3.216 N/A ARG 247.A N LYS 243.A O no hydrogen 2.864 N/A ARG 248.A N ASP 244.A O no hydrogen 3.056 N/A ARG 248.A NE ASP 244.A OD1 no hydrogen 2.782 N/A ARG 248.A NE ASP 244.A OD2 no hydrogen 3.324 N/A ARG 248.A NH2 ASP 244.A OD2 no hydrogen 3.086 N/A LEU 249.A N ILE 246.A O no hydrogen 2.997 N/A LEU 250.A N ILE 246.A O no hydrogen 2.942 N/A LYS 252.A NZ SER 224.A O no hydrogen 2.792 N/A LYS 255.A N ASP 253.A OD1 no hydrogen 3.028 N/A LYS 256.A N ASP 253.A O no hydrogen 2.924 N/A LYS 256.A NZ ASP 253.A OD2 no hydrogen 2.876 N/A ARG 257.A N PRO 254.A O no hydrogen 3.270 N/A ARG 257.A NE VAL 251.A O no hydrogen 2.911 N/A ARG 257.A NH1 GLU 181.A OE2 no hydrogen 2.786 N/A ARG 257.A NH1 GLU 191.A O no hydrogen 2.874 N/A ARG 257.A NH2 GLU 181.A OE1 no hydrogen 2.920 N/A ARG 257.A NH2 VAL 251.A O no hydrogen 2.926 N/A MET 258.A N ARG 248.A O no hydrogen 3.036 N/A THR 259.A N ASP 262.A OD2 no hydrogen 3.024 N/A ASP 262.A N THR 259.A OG1 no hydrogen 3.036 N/A SER 263.A N THR 259.A O no hydrogen 2.862 N/A SER 263.A OG ILE 260.A O no hydrogen 2.767 N/A LEU 264.A N ILE 260.A O no hydrogen 3.125 N/A GLN 265.A N GLN 261.A O no hydrogen 3.205 N/A GLN 265.A N ASP 262.A O no hydrogen 3.096 N/A HIS 266.A NE2 ASP 244.A OD1 no hydrogen 2.663 N/A TRP 268.A N HIS 266.A ND1 no hydrogen 3.011 N/A TRP 268.A NE1 GLU 107.A OE1 no hydrogen 2.983 N/A ILE 269.A N HIS 266.A O no hydrogen 2.875 N/A LYS 270.A N HIS 266.A O no hydrogen 2.838 N/A LYS 270.A NZ GLN 265.A OE1 no hydrogen 3.207 N/A