Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4hkj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N VAL 103.A O no hydrogen 2.975 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.956 N/A SER 4.A N ASP 29.A OD1 no hydrogen 3.022 N/A LEU 5.A N CYS 101.A O no hydrogen 2.987 N/A ARG 6.A N TYR 27.A O no hydrogen 2.986 N/A ARG 6.A NH2 ASP 29.A O no hydrogen 3.110 N/A TYR 7.A N SER 99.A O no hydrogen 2.532 N/A PHE 8.A N VAL 25.A O no hydrogen 2.772 N/A VAL 9.A N VAL 97.A O no hydrogen 2.767 N/A THR 10.A N MET 23.A O no hydrogen 2.858 N/A ALA 11.A N ILE 95.A O no hydrogen 2.753 N/A VAL 12.A N ARG 21.A O no hydrogen 3.142 N/A SER 13.A N HIS 93.A O no hydrogen 2.899 N/A SER 13.A OG HIS 93.A O no hydrogen 3.268 N/A ARG 14.A NH2 GLU 19.A O no hydrogen 2.466 N/A ARG 14.A NH2 ASP 39.A OD1 no hydrogen 3.364 N/A LEU 17.A N ARG 14.A O no hydrogen 3.128 N/A ARG 21.A N VAL 12.A O no hydrogen 2.923 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 3.445 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 3.021 N/A TYR 22.A N SER 38.A OG no hydrogen 2.551 N/A TYR 22.A OH GLU 24.A OE2 no hydrogen 2.439 N/A MET 23.A N THR 10.A O no hydrogen 2.871 N/A GLU 24.A N PHE 36.A O no hydrogen 3.026 N/A VAL 25.A N PHE 8.A O no hydrogen 3.000 N/A GLY 26.A N VAL 34.A O no hydrogen 3.173 N/A TYR 27.A N ARG 6.A O no hydrogen 2.709 N/A ASP 29.A N SER 4.A O no hydrogen 2.796 N/A THR 31.A N VAL 28.A O no hydrogen 2.984 N/A PHE 33.A N GLY 26.A O no hydrogen 3.312 N/A ARG 35.A N GLU 46.A O no hydrogen 2.912 N/A ARG 35.A NE GLU 32.A OE2 no hydrogen 2.601 N/A ARG 35.A NH2 GLU 32.A OE1 no hydrogen 3.457 N/A ARG 35.A NH2 GLU 32.A OE2 no hydrogen 3.205 N/A PHE 36.A N GLU 24.A O no hydrogen 2.934 N/A SER 38.A N TYR 22.A O no hydrogen 2.932 N/A SER 38.A OG TYR 22.A O no hydrogen 3.341 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 3.061 N/A ARG 44.A NH2 GLU 61.A OE1 no hydrogen 2.747 N/A TYR 45.A OH GLU 24.A OE1 no hydrogen 2.820 N/A GLU 46.A N ARG 35.A O no hydrogen 2.957 N/A ARG 48.A N PHE 33.A O no hydrogen 2.670 N/A MET 52.A N ALA 49.A O no hydrogen 2.979 N/A GLN 54.A NE2 TRP 51.A O no hydrogen 2.913 N/A GLN 54.A NE2 ASN 174.A O no hydrogen 2.471 N/A GLU 55.A N MET 52.A O no hydrogen 3.435 N/A TYR 59.A N GLY 56.A O no hydrogen 3.115 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.418 N/A TRP 60.A N GLY 56.A O no hydrogen 3.461 N/A GLU 61.A N PRO 57.A O no hydrogen 3.097 N/A ARG 62.A N GLU 58.A O no hydrogen 3.359 N/A GLU 63.A N TYR 59.A O no hydrogen 3.286 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.478 N/A GLN 65.A N GLU 61.A O no hydrogen 3.128 N/A LYS 66.A N ARG 62.A O no hydrogen 2.944 N/A ALA 67.A N GLU 63.A O no hydrogen 2.880 N/A LYS 68.A N THR 64.A O no hydrogen 2.966 N/A LYS 68.A NZ GLU 71.A OE1 no hydrogen 3.183 N/A GLY 69.A N GLN 65.A O no hydrogen 3.053 N/A ASN 70.A N LYS 66.A O no hydrogen 2.938 N/A ASN 70.A ND2 GLU 24.A OE2 no hydrogen 3.129 N/A GLU 71.A N ALA 67.A O no hydrogen 2.852 N/A GLN 72.A N LYS 68.A O no hydrogen 3.238 N/A SER 73.A N GLY 69.A O no hydrogen 3.415 N/A SER 73.A OG GLY 69.A O no hydrogen 3.096 N/A PHE 74.A N ASN 70.A O no hydrogen 3.015 N/A ARG 75.A N GLU 71.A O no hydrogen 2.874 N/A ARG 75.A NH1 GLN 72.A OE1 no hydrogen 2.799 N/A VAL 76.A N GLN 72.A O no hydrogen 3.175 N/A ASP 77.A N SER 73.A O no hydrogen 3.013 N/A LEU 78.A N PHE 74.A O no hydrogen 2.960 N/A THR 80.A N VAL 76.A O no hydrogen 2.759 N/A THR 80.A OG1 VAL 76.A O no hydrogen 2.829 N/A LEU 81.A N ASP 77.A O no hydrogen 3.047 N/A LEU 82.A N ARG 79.A O no hydrogen 3.184 N/A GLY 83.A N THR 80.A O no hydrogen 3.141 N/A TYR 84.A N THR 80.A O no hydrogen 3.188 N/A TYR 85.A N LEU 81.A O no hydrogen 3.115 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.392 N/A ASN 86.A N GLY 83.A O no hydrogen 3.329 N/A GLN 87.A N LEU 82.A O no hydrogen 2.940 N/A GLY 90.A N SER 88.A OG no hydrogen 3.361 N/A SER 92.A OG SER 13.A O no hydrogen 2.391 N/A HIS 93.A N SER 13.A OG no hydrogen 2.721 N/A HIS 93.A ND1 ASP 119.A OD2 no hydrogen 3.030 N/A THR 94.A N ASP 119.A OD1 no hydrogen 2.850 N/A ILE 95.A N ALA 11.A O no hydrogen 2.679 N/A GLN 96.A N ALA 117.A O no hydrogen 2.762 N/A VAL 97.A N VAL 9.A O no hydrogen 2.907 N/A ILE 98.A N GLN 115.A O no hydrogen 2.990 N/A SER 99.A N TYR 7.A O no hydrogen 2.953 N/A SER 99.A OG GLN 114.A OE1 no hydrogen 2.808 N/A GLY 100.A N TYR 113.A O no hydrogen 2.973 N/A CYS 101.A N LEU 5.A O no hydrogen 2.983 N/A GLU 102.A N ARG 111.A O no hydrogen 2.981 N/A VAL 103.A N HIS 3.A O no hydrogen 2.787 N/A GLY 104.A N ARG 108.A O no hydrogen 3.011 N/A SER 105.A OG GLY 1.A O no hydrogen 3.085 N/A GLY 107.A N GLY 104.A O no hydrogen 3.126 N/A ARG 108.A N ASP 106.A OD1 no hydrogen 2.927 N/A LEU 110.A N GLU 102.A O no hydrogen 2.675 N/A ARG 111.A N GLU 102.A O no hydrogen 3.356 N/A ARG 111.A NH1 TYR 113.A OH no hydrogen 2.737 N/A TYR 113.A N GLY 100.A O no hydrogen 2.936 N/A GLN 115.A N ILE 98.A O no hydrogen 3.010 N/A TYR 116.A N ILE 124.A O no hydrogen 2.802 N/A ALA 117.A N GLN 96.A O no hydrogen 2.648 N/A TYR 118.A N CYS 121.A O no hydrogen 2.986 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.513 N/A ASP 119.A N THR 94.A O no hydrogen 2.700 N/A CYS 121.A N TYR 118.A O no hydrogen 3.218 N/A TYR 123.A N TYR 116.A O no hydrogen 3.053 N/A TYR 123.A OH ALA 139.A O no hydrogen 3.257 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.606 N/A ALA 125.A N THR 134.A O no hydrogen 3.308 N/A LEU 126.A N GLN 114.A O no hydrogen 2.883 N/A ASN 127.A N THR 132.A O no hydrogen 3.085 N/A ASN 127.A ND2 THR 132.A OG1 no hydrogen 2.677 N/A LEU 130.A N ASN 127.A O no hydrogen 3.333 N/A LYS 131.A N ASP 129.A OD1 no hydrogen 2.640 N/A THR 132.A N ASP 129.A OD1 no hydrogen 2.769 N/A THR 132.A OG1 ASP 129.A OD1 no hydrogen 3.070 N/A THR 132.A OG1 ASP 129.A OD2 no hydrogen 2.544 N/A THR 134.A N ALA 125.A O no hydrogen 2.968 N/A THR 134.A OG1 ASN 127.A OD1 no hydrogen 2.294 N/A ALA 136.A N TYR 123.A O no hydrogen 2.804 N/A ALA 140.A N ASP 137.A O no hydrogen 3.276 N/A ALA 140.A N ASP 137.A OD1 no hydrogen 2.909 N/A LEU 141.A N MET 138.A O no hydrogen 3.373 N/A ILE 142.A N ALA 139.A O no hydrogen 3.140 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.606 N/A LYS 144.A N ALA 140.A O no hydrogen 2.778 N/A LYS 144.A NZ TRP 133.A O no hydrogen 3.174 N/A HIS 145.A N LEU 141.A O no hydrogen 2.995 N/A LYS 146.A N ILE 142.A O no hydrogen 3.133 N/A LYS 146.A NZ TYR 84.A OH no hydrogen 3.023 N/A TRP 147.A N THR 143.A O no hydrogen 2.941 N/A GLU 148.A N LYS 144.A O no hydrogen 3.051 N/A GLN 149.A N HIS 145.A O no hydrogen 3.303 N/A GLN 149.A NE2 HIS 145.A NE2 no hydrogen 3.512 N/A GLY 151.A N GLU 148.A O no hydrogen 3.329 N/A GLU 152.A N TRP 147.A O no hydrogen 2.870 N/A ARG 155.A N GLY 151.A O no hydrogen 3.359 N/A ARG 155.A NE GLU 152.A OE1 no hydrogen 3.230 N/A ARG 155.A NH2 GLU 152.A OE1 no hydrogen 3.253 N/A ARG 155.A NH2 GLU 152.A OE2 no hydrogen 2.894 N/A LEU 156.A N GLU 152.A O no hydrogen 2.889 N/A ARG 157.A N ALA 153.A O no hydrogen 3.066 N/A ARG 157.A NH1 LEU 130.A O no hydrogen 2.888 N/A ALA 158.A N GLU 154.A O no hydrogen 3.348 N/A LEU 160.A N LEU 156.A O no hydrogen 3.078 N/A GLU 161.A N ARG 157.A O no hydrogen 2.956 N/A GLY 162.A N ALA 158.A O no hydrogen 2.906 N/A CYS 164.A N TYR 159.A O no hydrogen 2.795 N/A GLU 166.A N GLY 162.A O no hydrogen 3.123 N/A TRP 167.A N THR 163.A O no hydrogen 3.162 N/A LEU 168.A N CYS 164.A O no hydrogen 3.111 N/A ARG 169.A N VAL 165.A O no hydrogen 3.052 N/A ARG 170.A N GLU 166.A O no hydrogen 3.292 N/A ARG 170.A NE GLU 55.A OE2 no hydrogen 2.808 N/A ARG 170.A NH2 GLU 55.A OE1 no hydrogen 3.050 N/A ARG 170.A NH2 GLU 55.A OE2 no hydrogen 2.972 N/A TYR 171.A N TRP 167.A O no hydrogen 2.825 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.418 N/A LEU 172.A N LEU 168.A O no hydrogen 2.956 N/A LYS 173.A N ARG 169.A O no hydrogen 3.304 N/A ASN 174.A N ARG 170.A O no hydrogen 3.098 N/A ASN 174.A N TYR 171.A O no hydrogen 3.269 N/A THR 178.A N GLY 175.A O no hydrogen 3.156 N/A THR 178.A OG1 GLY 175.A O no hydrogen 3.015 N/A LEU 179.A N GLY 175.A O no hydrogen 2.932 N/A LEU 180.A N ASN 176.A O no hydrogen 3.195 N/A ARG 181.A N THR 178.A O no hydrogen 3.236 N/A ASP 183.A N TYR 209.A O no hydrogen 3.124 N/A SER 184.A OG GLY 265.A O no hydrogen 2.710 N/A LYS 186.A N LEU 206.A O no hydrogen 2.881 N/A THR 190.A N ARG 202.A O no hydrogen 3.018 N/A HIS 192.A N THR 200.A O no hydrogen 3.089 N/A VAL 199.A N VAL 249.A O no hydrogen 2.847 N/A THR 200.A N HIS 192.A O no hydrogen 2.732 N/A LEU 201.A N VAL 247.A O no hydrogen 3.054 N/A ARG 202.A N THR 190.A O no hydrogen 3.253 N/A CYS 203.A N ALA 245.A O no hydrogen 2.870 N/A CYS 203.A SG TRP 204.A O no hydrogen 3.920 N/A TRP 204.A N HIS 188.A O no hydrogen 2.690 N/A LEU 206.A N LYS 186.A O no hydrogen 2.942 N/A PHE 208.A N PHE 241.A O no hydrogen 3.530 N/A TYR 209.A N ASP 183.A O no hydrogen 3.285 N/A THR 214.A N TYR 262.A O no hydrogen 3.004 N/A THR 216.A N HIS 260.A O no hydrogen 3.197 N/A TRP 217.A NE1 ALA 245.A O no hydrogen 3.032 N/A GLN 218.A N THR 258.A O no hydrogen 2.922 N/A LEU 219.A N GLU 222.A O no hydrogen 2.907 N/A GLU 222.A N LEU 219.A O no hydrogen 3.052 N/A LEU 224.A N TRP 217.A O no hydrogen 2.812 N/A GLU 229.A N SER 246.A O no hydrogen 2.634 N/A ARG 234.A N GLN 242.A O no hydrogen 3.050 N/A ARG 234.A NE GLN 242.A OE1 no hydrogen 3.177 N/A ARG 234.A NH2 GLN 242.A OE1 no hydrogen 3.387 N/A ALA 236.A N THR 240.A O no hydrogen 2.991 N/A THR 240.A N ASP 238.A OD1 no hydrogen 3.311 N/A THR 240.A OG1 ASP 238.A OD1 no hydrogen 2.680 N/A THR 240.A OG1 ASP 238.A OD2 no hydrogen 3.526 N/A PHE 241.A N PHE 208.A O no hydrogen 3.048 N/A GLN 242.A N ARG 234.A O no hydrogen 2.793 N/A LYS 243.A N ALA 205.A O no hydrogen 3.162 N/A LYS 243.A NZ VAL 231.A O no hydrogen 2.475 N/A LYS 243.A NZ THR 233.A OG1 no hydrogen 3.390 N/A ALA 245.A N CYS 203.A O no hydrogen 3.012 N/A SER 246.A N GLU 229.A O no hydrogen 2.801 N/A VAL 247.A N LEU 201.A O no hydrogen 3.060 N/A VAL 249.A N VAL 199.A O no hydrogen 3.142 N/A GLY 252.A N GLU 254.A OE2 no hydrogen 3.518 N/A LYS 253.A N PRO 250.A O no hydrogen 3.401 N/A GLU 254.A N GLU 254.A OE1 no hydrogen 2.835 N/A GLN 255.A N GLN 255.A OE1 no hydrogen 2.651 N/A GLN 255.A NE2 GLY 252.A O no hydrogen 3.048 N/A TYR 256.A N LYS 253.A O no hydrogen 3.257 N/A TYR 257.A N GLU 254.A O no hydrogen 3.298 N/A THR 258.A N GLN 218.A O no hydrogen 3.284 N/A THR 258.A OG1 HIS 260.A NE2 no hydrogen 3.241 N/A CYS 259.A N LEU 272.A O no hydrogen 2.738 N/A CYS 259.A SG THR 216.A O no hydrogen 3.882 N/A HIS 260.A N THR 216.A O no hydrogen 2.833 N/A VAL 261.A N LEU 270.A O no hydrogen 3.020 N/A TYR 262.A N THR 214.A O no hydrogen 2.865 N/A HIS 263.A ND1 ASP 212.A O no hydrogen 2.771 N/A HIS 263.A NE2 TYR 209.A O no hydrogen 3.035 N/A LEU 266.A N HIS 263.A O no hydrogen 3.342 N/A LEU 270.A N VAL 261.A O no hydrogen 3.074 N/A LEU 272.A N CYS 259.A O no hydrogen 2.938 N/A ARG 273.A NE GLN 255.A O no hydrogen 3.351 N/A