Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2q8q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A N THR 60.A OG1 no hydrogen 3.133 N/A ARG 4.A NE LEU 57.A O no hydrogen 3.007 N/A ARG 4.A NE LYS 58.A O no hydrogen 3.264 N/A ARG 4.A NH2 LEU 57.A O no hydrogen 2.754 N/A VAL 6.A N HIS 61.A O no hydrogen 2.935 N/A THR 8.A N LEU 63.A O no hydrogen 2.921 N/A THR 8.A OG1 LEU 63.A O no hydrogen 2.701 N/A LEU 12.A N THR 9.A OG1 no hydrogen 3.100 N/A THR 13.A N THR 9.A O no hydrogen 3.045 N/A THR 13.A OG1 THR 9.A O no hydrogen 2.842 N/A MET 14.A N VAL 10.A O no hydrogen 2.949 N/A THR 15.A N ALA 11.A O no hydrogen 3.037 N/A THR 15.A OG1 ALA 11.A O no hydrogen 2.725 N/A LEU 16.A N LEU 12.A O no hydrogen 2.945 N/A ASP 17.A N THR 13.A O no hydrogen 3.177 N/A LYS 18.A N MET 14.A O no hydrogen 3.176 N/A LEU 19.A N THR 15.A O no hydrogen 3.127 N/A LEU 19.A N LEU 16.A O no hydrogen 3.171 N/A ASP 20.A N ASP 17.A O no hydrogen 3.018 N/A LEU 21.A N LEU 16.A O no hydrogen 3.081 N/A VAL 24.A N ILE 5.A O no hydrogen 2.948 N/A LYS 26.A N PRO 41.A O no hydrogen 2.933 N/A LYS 26.A NZ TYR 37.A O no hydrogen 3.033 N/A LYS 26.A NZ LYS 38.A O no hydrogen 3.397 N/A LYS 26.A NZ VAL 40.A O no hydrogen 3.489 N/A THR 28.A N GLY 44.A O no hydrogen 2.736 N/A TYR 30.A OH GLU 234.A OE1 no hydrogen 2.657 N/A TYR 30.A OH GLU 234.A OE2 no hydrogen 3.240 N/A LYS 31.A N SER 29.A OG no hydrogen 2.855 N/A LYS 31.A NZ GLU 234.A OE2 no hydrogen 3.416 N/A ARG 36.A NH1 ASP 20.A OD2 no hydrogen 2.823 N/A TYR 37.A N PRO 34.A O no hydrogen 3.133 N/A TYR 37.A OH LEU 21.A O no hydrogen 2.657 N/A LYS 38.A N ASN 35.A O no hydrogen 3.066 N/A VAL 40.A N TYR 37.A O no hydrogen 3.180 N/A ILE 43.A N LYS 26.A O no hydrogen 2.814 N/A GLU 48.A N GLN 45.A O no hydrogen 2.878 N/A ASN 50.A N ILE 43.A O no hydrogen 2.728 N/A ALA 53.A N ASN 50.A OD1 no hydrogen 2.846 N/A VAL 54.A N ASN 50.A O no hydrogen 3.015 N/A LYS 55.A N VAL 51.A O no hydrogen 3.056 N/A LYS 55.A NZ GLN 78.A O no hydrogen 3.548 N/A LYS 56.A N GLU 52.A O no hydrogen 3.114 N/A LEU 57.A N VAL 54.A O no hydrogen 3.064 N/A LYS 58.A N LYS 55.A O no hydrogen 3.229 N/A THR 60.A N ARG 4.A O no hydrogen 2.841 N/A THR 60.A OG1 ARG 4.A O no hydrogen 3.499 N/A THR 60.A OG1 HIS 61.A ND1 no hydrogen 2.742 N/A HIS 61.A N ARG 4.A O no hydrogen 3.400 N/A HIS 61.A ND1 THR 60.A OG1 no hydrogen 2.742 N/A LEU 63.A N VAL 6.A O no hydrogen 2.874 N/A SER 64.A N TYR 84.A O no hydrogen 2.916 N/A VAL 65.A N SER 64.A OG no hydrogen 2.810 N/A SER 66.A N TYR 86.A O no hydrogen 2.907 N/A SER 66.A OG TYR 86.A O no hydrogen 3.490 N/A SER 66.A OG ASP 89.A OD2 no hydrogen 2.949 N/A THR 67.A OG1 ASP 89.A OD1 no hydrogen 2.505 N/A THR 67.A OG1 ASP 89.A OD2 no hydrogen 3.455 N/A LYS 69.A N SER 66.A O no hydrogen 3.324 N/A MET 72.A N ILE 68.A O no hydrogen 3.018 N/A MET 72.A N LYS 69.A O no hydrogen 3.161 N/A GLN 73.A N ASP 70.A O no hydrogen 3.338 N/A TYR 76.A N MET 72.A O no hydrogen 3.270 N/A TYR 76.A OH VAL 62.A O no hydrogen 2.800 N/A LYS 77.A N GLN 73.A O no hydrogen 3.042 N/A GLN 78.A N PRO 74.A O no hydrogen 3.086 N/A LEU 79.A N PHE 75.A O no hydrogen 2.874 N/A ASN 80.A N TYR 76.A O no hydrogen 2.873 N/A MET 81.A N TYR 76.A O no hydrogen 3.418 N/A TYR 86.A N SER 64.A O no hydrogen 3.218 N/A ASP 89.A N ASP 87.A OD1 no hydrogen 3.074 N/A LEU 91.A N ASP 159.A OD1 no hydrogen 2.888 N/A GLY 93.A N SER 90.A OG no hydrogen 3.008 N/A MET 94.A N SER 90.A O no hydrogen 2.994 N/A GLN 95.A N LEU 91.A O no hydrogen 2.940 N/A LYS 96.A N LYS 92.A O no hydrogen 3.106 N/A SER 97.A N GLY 93.A O no hydrogen 2.964 N/A SER 97.A OG ASP 87.A O no hydrogen 2.894 N/A SER 97.A OG GLY 93.A O no hydrogen 2.986 N/A ILE 98.A N MET 94.A O no hydrogen 2.897 N/A THR 99.A N GLN 95.A O no hydrogen 3.105 N/A THR 99.A OG1 GLN 95.A O no hydrogen 3.257 N/A GLN 100.A N LYS 96.A O no hydrogen 3.015 N/A LEU 101.A N SER 97.A O no hydrogen 2.905 N/A GLY 102.A N ILE 98.A O no hydrogen 2.936 N/A ASP 103.A N THR 99.A O no hydrogen 2.959 N/A GLN 104.A N GLN 100.A O no hydrogen 2.894 N/A GLN 104.A NE2 TYR 86.A OH no hydrogen 2.595 N/A PHE 105.A N LEU 101.A O no hydrogen 3.107 N/A ARG 107.A N GLY 102.A O no hydrogen 2.886 N/A ARG 107.A NE LEU 19.A O no hydrogen 3.032 N/A ARG 107.A NE ASP 20.A O no hydrogen 3.203 N/A ARG 107.A NH1 ASN 106.A O no hydrogen 3.078 N/A ARG 107.A NH2 ASP 20.A O no hydrogen 2.934 N/A GLN 110.A N GLN 110.A OE1 no hydrogen 2.686 N/A ALA 111.A N ARG 107.A O no hydrogen 2.867 N/A LYS 112.A N LYS 108.A O no hydrogen 2.945 N/A GLU 113.A N ALA 109.A O no hydrogen 3.081 N/A LEU 114.A N GLN 110.A O no hydrogen 3.080 N/A ASN 115.A N ALA 111.A O no hydrogen 2.918 N/A ASN 115.A ND2 GLN 95.A O no hydrogen 3.083 N/A ASP 116.A N LYS 112.A O no hydrogen 2.791 N/A HIS 117.A N GLU 113.A O no hydrogen 3.080 N/A HIS 117.A NE2 ASP 246.A OD2 no hydrogen 2.718 N/A LEU 118.A N LEU 114.A O no hydrogen 3.053 N/A ASN 119.A N ASN 115.A O no hydrogen 2.900 N/A SER 120.A N ASP 116.A O no hydrogen 2.943 N/A VAL 121.A N HIS 117.A O no hydrogen 3.034 N/A LYS 122.A N LEU 118.A O no hydrogen 2.948 N/A LYS 122.A NZ GLU 126.A OE1 no hydrogen 3.527 N/A LYS 122.A NZ GLU 126.A OE2 no hydrogen 2.675 N/A GLN 123.A N ASN 119.A O no hydrogen 2.903 N/A LYS 124.A N SER 120.A O no hydrogen 3.095 N/A ILE 125.A N VAL 121.A O no hydrogen 3.002 N/A GLU 126.A N LYS 122.A O no hydrogen 2.905 N/A ASN 127.A N GLN 123.A O no hydrogen 2.832 N/A LYS 128.A N LYS 124.A O no hydrogen 3.083 N/A ALA 129.A N ILE 125.A O no hydrogen 2.872 N/A ALA 130.A N GLU 126.A O no hydrogen 3.092 N/A LYS 131.A N LYS 128.A O no hydrogen 3.069 N/A GLN 132.A N ALA 129.A O no hydrogen 3.055 N/A GLN 132.A NE2 TYR 253.A OH no hydrogen 3.010 N/A HIS 135.A ND1 GLY 165.A O no hydrogen 2.810 N/A LYS 137.A N ASP 191.A OD2 no hydrogen 2.847 N/A VAL 138.A N GLU 167.A O no hydrogen 2.897 N/A LEU 139.A N ILE 192.A O no hydrogen 2.967 N/A LEU 141.A N LEU 194.A O no hydrogen 2.788 N/A MET 142.A N LEU 149.A O no hydrogen 2.942 N/A GLY 143.A N LEU 196.A O no hydrogen 2.763 N/A VAL 144.A N SER 147.A O no hydrogen 2.995 N/A SER 147.A N VAL 144.A O no hydrogen 3.338 N/A TYR 148.A OH GLU 211.A OE2 no hydrogen 2.670 N/A LEU 149.A N MET 142.A O no hydrogen 2.798 N/A VAL 150.A N ILE 178.A O no hydrogen 2.888 N/A ALA 151.A N ILE 140.A O no hydrogen 2.988 N/A THR 152.A N GLN 176.A O no hydrogen 2.881 N/A THR 152.A OG1 ARG 175.A O no hydrogen 2.555 N/A THR 152.A OG1 GLN 176.A O no hydrogen 3.357 N/A LYS 154.A N THR 152.A OG1 no hydrogen 3.124 N/A SER 155.A N THR 152.A O no hydrogen 3.142 N/A SER 155.A OG THR 152.A O no hydrogen 2.652 N/A GLY 158.A N SER 155.A OG no hydrogen 3.205 N/A ASP 159.A N SER 155.A O no hydrogen 2.969 N/A LEU 160.A N TYR 156.A O no hydrogen 2.927 N/A VAL 161.A N ILE 157.A O no hydrogen 2.882 N/A LYS 162.A N GLY 158.A O no hydrogen 3.113 N/A ILE 163.A N ASP 159.A O no hydrogen 2.914 N/A ALA 164.A N LEU 160.A O no hydrogen 2.882 N/A GLY 165.A N LYS 162.A O no hydrogen 3.139 N/A GLY 166.A N VAL 161.A O no hydrogen 2.804 N/A GLU 167.A N PRO 136.A O no hydrogen 2.753 N/A ASN 168.A ND2 ALA 151.A O no hydrogen 3.323 N/A ASN 168.A ND2 ASP 153.A OD1 no hydrogen 3.138 N/A VAL 169.A N VAL 138.A O no hydrogen 2.978 N/A ILE 170.A N ASN 168.A OD1 no hydrogen 2.910 N/A LYS 171.A N GLU 183.A OE1 no hydrogen 3.454 N/A LYS 173.A NZ ASP 153.A OD2 no hydrogen 3.344 N/A LYS 173.A NZ LYS 171.A O no hydrogen 2.865 N/A ASP 174.A N ASP 174.A OD2 no hydrogen 2.654 N/A GLN 176.A N GLN 176.A OE1 no hydrogen 2.715 N/A GLN 176.A NE2 ASP 89.A OD2 no hydrogen 2.827 N/A TYR 177.A OH ILE 239.A O no hydrogen 2.835 N/A ILE 178.A N VAL 150.A O no hydrogen 2.860 N/A THR 182.A N SER 179.A O no hydrogen 3.060 N/A ASN 187.A N ASN 184.A O no hydrogen 3.023 N/A ASP 191.A N LYS 137.A O no hydrogen 2.785 N/A ILE 192.A N LYS 137.A O no hydrogen 3.020 N/A ILE 193.A N HIS 228.A O no hydrogen 2.949 N/A LEU 194.A N LEU 139.A O no hydrogen 2.855 N/A ARG 195.A N TYR 230.A O no hydrogen 2.741 N/A ARG 195.A NE ASP 231.A OD1 no hydrogen 3.023 N/A ARG 195.A NH2 ASP 231.A OD2 no hydrogen 2.840 N/A LEU 196.A N LEU 141.A O no hydrogen 2.855 N/A MET 200.A N HIS 198.A O no hydrogen 2.974 N/A GLU 203.A N GLU 202.A OE1 no hydrogen 3.433 N/A VAL 204.A N MET 200.A O no hydrogen 2.939 N/A LYS 205.A N PRO 201.A O no hydrogen 3.014 N/A LYS 206.A N GLU 202.A O no hydrogen 3.419 N/A MET 207.A N GLU 203.A O no hydrogen 2.997 N/A PHE 208.A N VAL 204.A O no hydrogen 2.835 N/A GLN 209.A N LYS 205.A O no hydrogen 2.968 N/A LYS 210.A N LYS 206.A O no hydrogen 3.006 N/A GLU 211.A N MET 207.A O no hydrogen 2.950 N/A PHE 212.A N PHE 208.A O no hydrogen 3.112 N/A LYS 213.A N GLN 209.A O no hydrogen 3.363 N/A GLN 214.A N LYS 210.A O no hydrogen 2.814 N/A ASN 215.A N GLU 211.A O no hydrogen 2.904 N/A ASN 215.A ND2 GLU 211.A OE2 no hydrogen 3.019 N/A ILE 217.A N ASN 215.A OD1 no hydrogen 3.537 N/A TRP 218.A NE1 GLU 211.A OE2 no hydrogen 2.724 N/A LYS 219.A NZ ASP 216.A O no hydrogen 3.444 N/A LYS 219.A NZ ASP 216.A OD1 no hydrogen 3.029 N/A HIS 220.A N ILE 217.A O no hydrogen 3.240 N/A PHE 221.A N TRP 218.A O no hydrogen 3.024 N/A VAL 224.A N PHE 221.A O no hydrogen 3.179 N/A LYS 225.A N PHE 221.A O no hydrogen 3.154 N/A LYS 225.A NZ HIS 220.A O no hydrogen 3.155 N/A ASN 226.A N LYS 222.A O no hydrogen 2.899 N/A ASN 227.A N VAL 224.A O no hydrogen 3.176 N/A HIS 228.A N ALA 223.A O no hydrogen 2.763 N/A TYR 230.A N ILE 193.A O no hydrogen 2.825 N/A LEU 232.A N ARG 195.A O no hydrogen 2.988 N/A PHE 237.A N GLU 233.A O no hydrogen 3.070 N/A THR 240.A OG1 ALA 241.A O no hydrogen 2.841 N/A ALA 241.A N PHE 88.A O no hydrogen 2.687 N/A ALA 245.A N ASN 242.A O no hydrogen 3.033 N/A LYS 247.A N ASP 246.A OD1 no hydrogen 2.786 N/A ALA 248.A N ASP 244.A O no hydrogen 3.128 N/A MET 249.A N ALA 245.A O no hydrogen 2.896 N/A THR 250.A N ASP 246.A O no hydrogen 3.251 N/A THR 250.A OG1 ASP 246.A O no hydrogen 2.787 N/A GLN 251.A N LYS 247.A O no hydrogen 2.953 N/A LEU 252.A N ALA 248.A O no hydrogen 3.073 N/A TYR 253.A N MET 249.A O no hydrogen 3.122 N/A ASP 254.A N THR 250.A O no hydrogen 3.010 N/A LEU 255.A N GLN 251.A O no hydrogen 2.877 N/A PHE 256.A N LEU 252.A O no hydrogen 2.906 N/A TYR 257.A N TYR 253.A O no hydrogen 3.036 N/A TYR 257.A OH LYS 134.A O no hydrogen 2.874 N/A TYR 257.A OH GLY 165.A O no hydrogen 3.392 N/A LYS 258.A NZ TYR 230.A OH no hydrogen 3.347 N/A