Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6bj3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A ND1 ASP 28.A OD2 no hydrogen 2.588 N/A SER 3.A N ASP 28.A OD1 no hydrogen 2.872 N/A MET 4.A N CYS 100.A O no hydrogen 3.048 N/A ARG 5.A N TYR 26.A O no hydrogen 2.937 N/A ARG 5.A NH1 MET 4.A O no hydrogen 3.404 N/A ARG 5.A NH1 CYS 100.A O no hydrogen 3.171 N/A ARG 5.A NH1 ASP 101.A OD1 no hydrogen 2.707 N/A ARG 5.A NH2 ASP 101.A OD1 no hydrogen 2.625 N/A ARG 5.A NH2 ASP 101.A OD2 no hydrogen 3.522 N/A TYR 6.A N TYR 98.A O no hydrogen 2.905 N/A PHE 7.A N VAL 24.A O no hydrogen 2.822 N/A TYR 8.A N ARG 96.A O no hydrogen 2.839 N/A THR 9.A N ILE 22.A O no hydrogen 2.792 N/A ALA 10.A N ILE 94.A O no hydrogen 2.913 N/A MET 11.A N ARG 20.A O no hydrogen 2.921 N/A SER 12.A N HIS 92.A O no hydrogen 2.819 N/A SER 12.A OG HIS 92.A O no hydrogen 3.327 N/A ARG 13.A NE GLU 18.A O no hydrogen 2.855 N/A ARG 13.A NH1 ASP 38.A OD1 no hydrogen 3.347 N/A ARG 13.A NH1 ASP 38.A OD2 no hydrogen 3.246 N/A ARG 13.A NH2 GLU 18.A O no hydrogen 3.514 N/A ARG 13.A NH2 ASP 38.A OD1 no hydrogen 2.677 N/A ARG 16.A N ARG 13.A O no hydrogen 2.987 N/A ARG 20.A N MET 11.A O no hydrogen 2.939 N/A ARG 20.A NE ASP 36.A OD1 no hydrogen 3.015 N/A ARG 20.A NH2 ASP 36.A OD2 no hydrogen 2.702 N/A PHE 21.A N SER 37.A OG no hydrogen 2.836 N/A ILE 22.A N THR 9.A O no hydrogen 2.698 N/A ALA 23.A N PHE 35.A O no hydrogen 2.932 N/A VAL 24.A N PHE 7.A O no hydrogen 3.045 N/A GLY 25.A N VAL 33.A O no hydrogen 3.189 N/A TYR 26.A N ARG 5.A O no hydrogen 2.710 N/A VAL 27.A N THR 30.A O no hydrogen 2.928 N/A ASP 28.A N SER 3.A O no hydrogen 2.954 N/A THR 30.A N VAL 27.A O no hydrogen 2.943 N/A THR 30.A OG1 TYR 208.A OH no hydrogen 2.703 N/A GLN 31.A NE2 VAL 33.A O no hydrogen 3.569 N/A PHE 32.A N GLY 25.A O no hydrogen 2.986 N/A ARG 34.A N GLU 45.A O no hydrogen 3.045 N/A PHE 35.A N ALA 23.A O no hydrogen 2.785 N/A SER 37.A N PHE 21.A O no hydrogen 3.046 N/A SER 37.A OG PHE 21.A O no hydrogen 3.358 N/A ASP 38.A N ASP 36.A OD1 no hydrogen 2.985 N/A ALA 39.A N ASP 36.A O no hydrogen 3.379 N/A THR 44.A N THR 63.A OG1 no hydrogen 3.040 N/A THR 44.A OG1 THR 63.A OG1 no hydrogen 3.102 N/A GLU 45.A N ARG 34.A O no hydrogen 2.842 N/A ARG 47.A N PHE 32.A O no hydrogen 2.741 N/A ARG 47.A NH1 GLU 45.A OE1 no hydrogen 3.542 N/A ARG 47.A NH1 PRO 46.A O no hydrogen 3.164 N/A GLU 52.A N PRO 49.A O no hydrogen 3.119 N/A GLN 53.A N TRP 50.A O no hydrogen 3.070 N/A GLN 53.A NE2 ASN 173.A O no hydrogen 3.128 N/A GLU 54.A N ILE 51.A O no hydrogen 3.059 N/A TYR 58.A N GLY 55.A O no hydrogen 3.004 N/A TYR 58.A OH TYR 170.A OH no hydrogen 2.576 N/A ASP 60.A N PRO 56.A O no hydrogen 3.053 N/A ARG 61.A N GLU 57.A O no hydrogen 2.872 N/A ASN 62.A N TYR 58.A O no hydrogen 3.033 N/A ASN 62.A ND2 TYR 58.A O no hydrogen 2.803 N/A THR 63.A N TRP 59.A O no hydrogen 3.017 N/A THR 63.A OG1 THR 44.A OG1 no hydrogen 3.102 N/A THR 63.A OG1 TRP 59.A O no hydrogen 2.892 N/A GLN 64.A N ASP 60.A O no hydrogen 3.019 N/A ILE 65.A N ARG 61.A O no hydrogen 3.088 N/A PHE 66.A N ASN 62.A O no hydrogen 2.939 N/A LYS 67.A N THR 63.A O no hydrogen 2.765 N/A THR 68.A N GLN 64.A O no hydrogen 2.956 N/A THR 68.A OG1 GLN 64.A O no hydrogen 2.934 N/A ASN 69.A N ILE 65.A O no hydrogen 2.782 N/A THR 70.A N PHE 66.A O no hydrogen 2.978 N/A THR 70.A OG1 PHE 66.A O no hydrogen 2.941 N/A THR 72.A N THR 68.A O no hydrogen 2.850 N/A THR 72.A OG1 THR 68.A O no hydrogen 3.355 N/A TYR 73.A N ASN 69.A O no hydrogen 2.785 N/A ARG 74.A N THR 70.A O no hydrogen 3.308 N/A ARG 74.A NE GLU 75.A OE1 no hydrogen 3.082 N/A ARG 74.A NH1 GLU 18.A OE1 no hydrogen 3.392 N/A GLU 75.A N GLN 71.A O no hydrogen 3.315 N/A SER 76.A N THR 72.A O no hydrogen 2.948 N/A SER 76.A OG THR 72.A O no hydrogen 3.512 N/A LEU 77.A N TYR 73.A O no hydrogen 2.919 N/A ARG 78.A N ARG 74.A O no hydrogen 3.152 N/A ASN 79.A N GLU 75.A O no hydrogen 2.822 N/A LEU 80.A N SER 76.A O no hydrogen 2.938 N/A ARG 81.A N LEU 77.A O no hydrogen 2.988 N/A ARG 81.A NH1 GLN 86.A O no hydrogen 2.775 N/A GLY 82.A N ARG 78.A O no hydrogen 3.026 N/A TYR 83.A N ASN 79.A O no hydrogen 2.831 N/A TYR 84.A N LEU 80.A O no hydrogen 3.062 N/A TYR 84.A OH ASP 136.A OD2 no hydrogen 2.600 N/A ASN 85.A N GLY 82.A O no hydrogen 3.282 N/A GLN 86.A N ARG 81.A O no hydrogen 2.897 N/A ALA 89.A N SER 87.A OG no hydrogen 2.915 N/A SER 91.A OG SER 12.A O no hydrogen 3.384 N/A HIS 92.A N SER 12.A OG no hydrogen 2.863 N/A HIS 92.A ND1 ASP 118.A OD2 no hydrogen 2.673 N/A ILE 93.A N ASP 118.A OD1 no hydrogen 2.922 N/A ILE 94.A N ALA 10.A O no hydrogen 2.810 N/A GLN 95.A N ALA 116.A O no hydrogen 2.981 N/A ARG 96.A N TYR 8.A O no hydrogen 2.930 N/A ARG 96.A NE ASP 113.A OD1 no hydrogen 2.899 N/A ARG 96.A NH2 ASP 113.A OD1 no hydrogen 3.514 N/A ARG 96.A NH2 ASP 113.A OD2 no hydrogen 3.072 N/A MET 97.A N.A GLN 114.A O no hydrogen 2.838 N/A MET 97.A N.B GLN 114.A O no hydrogen 2.849 N/A TYR 98.A N TYR 6.A O no hydrogen 3.176 N/A TYR 98.A OH TYR 8.A OH no hydrogen 2.701 N/A GLY 99.A N HIS 112.A O no hydrogen 3.082 N/A CYS 100.A N MET 4.A O no hydrogen 3.048 N/A ASP 101.A N ARG 110.A O no hydrogen 2.761 N/A LEU 102.A N HIS 2.A O no hydrogen 2.744 N/A GLY 103.A N ARG 107.A O no hydrogen 2.688 N/A GLY 106.A N GLY 103.A O no hydrogen 3.153 N/A ARG 107.A N ASP 105.A OD1 no hydrogen 3.051 N/A ARG 107.A NE ASP 105.A OD2 no hydrogen 3.266 N/A LEU 109.A N ASP 101.A O no hydrogen 2.634 N/A ARG 110.A N ASP 101.A O no hydrogen 3.418 N/A HIS 112.A N GLY 99.A O no hydrogen 2.909 N/A HIS 112.A NE2 ASP 101.A OD2 no hydrogen 2.639 N/A GLN 114.A N MET 97.A O.A no hydrogen 2.766 N/A GLN 114.A N MET 97.A O.B no hydrogen 2.797 N/A SER 115.A N ILE 123.A O no hydrogen 2.976 N/A ALA 116.A N GLN 95.A O no hydrogen 2.748 N/A TYR 117.A N LYS 120.A O no hydrogen 2.936 N/A TYR 117.A OH GLN 86.A OE1 no hydrogen 2.600 N/A ASP 118.A N ILE 93.A O no hydrogen 2.756 N/A LYS 120.A N TYR 117.A O no hydrogen 3.153 N/A TYR 122.A N SER 115.A O no hydrogen 2.980 N/A TYR 122.A OH THR 142.A OG1 no hydrogen 2.760 N/A ALA 124.A N THR 133.A O no hydrogen 3.067 N/A LEU 125.A N ASP 113.A O no hydrogen 2.816 N/A ASN 126.A N SER 131.A O no hydrogen 2.903 N/A ASN 126.A ND2 SER 131.A OG no hydrogen 2.670 N/A LEU 129.A N ASN 126.A O no hydrogen 2.839 N/A SER 130.A N ASP 128.A OD1 no hydrogen 3.044 N/A SER 130.A OG ASP 128.A O no hydrogen 3.068 N/A SER 131.A OG ASP 128.A OD1 no hydrogen 3.150 N/A SER 131.A OG ASP 128.A OD2 no hydrogen 3.117 N/A THR 133.A N ALA 124.A O no hydrogen 2.835 N/A THR 133.A OG1 ASN 126.A OD1 no hydrogen 2.542 N/A ALA 135.A N TYR 122.A O no hydrogen 2.875 N/A ALA 139.A N ASP 136.A OD1 no hydrogen 2.835 N/A GLN 140.A N ASP 136.A O no hydrogen 3.213 N/A GLN 140.A N THR 137.A O no hydrogen 3.065 N/A ILE 141.A N ALA 138.A O no hydrogen 2.846 N/A THR 142.A N ALA 138.A O no hydrogen 3.474 N/A THR 142.A OG1 TYR 122.A OH no hydrogen 2.760 N/A GLN 143.A N ALA 139.A O no hydrogen 2.833 N/A GLN 143.A NE2 GLU 147.A OE2 no hydrogen 2.899 N/A ARG 144.A N GLN 140.A O no hydrogen 3.077 N/A LYS 145.A N ILE 141.A O no hydrogen 3.056 N/A TRP 146.A N THR 142.A O no hydrogen 2.815 N/A GLU 147.A N GLN 143.A O no hydrogen 2.774 N/A ALA 148.A N ARG 144.A O no hydrogen 3.129 N/A ALA 149.A N LYS 145.A O no hydrogen 2.897 N/A ARG 150.A N GLU 147.A O no hydrogen 3.321 N/A VAL 151.A N TRP 146.A O no hydrogen 2.995 N/A GLN 154.A N ARG 150.A O no hydrogen 3.240 N/A LEU 155.A N VAL 151.A O no hydrogen 2.863 N/A ARG 156.A N ALA 152.A O no hydrogen 2.832 N/A ARG 156.A NH1 LEU 129.A O no hydrogen 2.880 N/A ALA 157.A N GLU 153.A O no hydrogen 3.129 N/A TYR 158.A N GLN 154.A O no hydrogen 3.113 N/A LEU 159.A N LEU 155.A O no hydrogen 2.779 N/A GLU 160.A N ARG 156.A O no hydrogen 2.931 N/A GLY 161.A N TYR 158.A O no hydrogen 3.146 N/A CYS 163.A N TYR 158.A O no hydrogen 2.868 N/A GLU 165.A N GLY 161.A O no hydrogen 2.939 N/A TRP 166.A N LEU 162.A O no hydrogen 2.888 N/A LEU 167.A N CYS 163.A O no hydrogen 3.043 N/A ARG 168.A N VAL 164.A O no hydrogen 3.032 N/A ARG 169.A N GLU 165.A O no hydrogen 3.165 N/A ARG 169.A NE GLU 54.A OE2 no hydrogen 3.049 N/A ARG 169.A NH2 GLU 54.A OE1 no hydrogen 3.069 N/A TYR 170.A N TRP 166.A O no hydrogen 2.928 N/A LEU 171.A N LEU 167.A O no hydrogen 2.927 N/A GLU 172.A N ARG 168.A O no hydrogen 3.175 N/A ASN 173.A N ARG 169.A O no hydrogen 2.957 N/A GLY 174.A N TYR 170.A O no hydrogen 2.946 N/A LYS 175.A N GLU 172.A O no hydrogen 3.302 N/A LYS 175.A NZ GLU 172.A OE2 no hydrogen 3.115 N/A THR 177.A N GLY 174.A O no hydrogen 3.036 N/A THR 177.A OG1 GLY 174.A O no hydrogen 3.063 N/A LEU 178.A N GLY 174.A O no hydrogen 2.655 N/A GLN 179.A N LYS 175.A O no hydrogen 3.100 N/A GLN 179.A NE2 LEU 171.A O no hydrogen 2.814 N/A ASP 182.A N TYR 208.A O no hydrogen 2.818 N/A LYS 185.A N LEU 205.A O no hydrogen 2.785 N/A THR 189.A N ARG 201.A O no hydrogen 2.940 N/A THR 189.A OG1 ARG 201.A O no hydrogen 3.523 N/A HIS 190.A NE2 GLU 253.A OE2 no hydrogen 3.121 N/A HIS 191.A N THR 199.A O no hydrogen 2.967 N/A VAL 193.A N GLU 197.A O no hydrogen 3.063 N/A SER 194.A N GLU 197.A O no hydrogen 3.353 N/A HIS 196.A N SER 194.A OG no hydrogen 3.349 N/A ALA 198.A N VAL 248.A O no hydrogen 3.013 N/A THR 199.A N HIS 191.A O no hydrogen 2.613 N/A LEU 200.A N VAL 246.A O no hydrogen 2.923 N/A ARG 201.A N THR 189.A O no hydrogen 3.098 N/A CYS 202.A N ALA 244.A O no hydrogen 2.776 N/A TRP 203.A N HIS 187.A O no hydrogen 2.881 N/A ALA 204.A N LYS 242.A O no hydrogen 2.860 N/A LEU 205.A N LYS 185.A O no hydrogen 2.875 N/A PHE 207.A N PHE 240.A O no hydrogen 3.366 N/A TYR 208.A N ASP 182.A O no hydrogen 3.026 N/A TYR 208.A OH THR 30.A OG1 no hydrogen 2.703 N/A ALA 210.A N ASP 29.A OD2 no hydrogen 2.796 N/A THR 213.A N GLN 261.A O no hydrogen 3.034 N/A THR 215.A N HIS 259.A O no hydrogen 3.062 N/A TRP 216.A NE1 ALA 244.A O no hydrogen 2.911 N/A GLN 217.A N THR 257.A O no hydrogen 2.847 N/A GLN 217.A NE2 ASP 222.A OD1 no hydrogen 3.251 N/A ARG 218.A N GLU 221.A O no hydrogen 2.853 N/A ARG 218.A NE GLU 252.A OE1 no hydrogen 3.106 N/A ARG 218.A NH2 GLU 252.A OE2 no hydrogen 2.967 N/A ASP 219.A N ARG 255.A O no hydrogen 2.889 N/A GLU 221.A N ARG 218.A O no hydrogen 2.924 N/A GLN 223.A N TRP 216.A O no hydrogen 2.879 N/A GLN 223.A NE2 GLU 221.A O no hydrogen 3.103 N/A ASP 226.A N GLN 223.A O no hydrogen 3.053 N/A THR 227.A N THR 224.A O no hydrogen 3.156 N/A THR 227.A OG1 GLN 223.A O no hydrogen 2.528 N/A GLU 228.A N ALA 245.A O no hydrogen 2.766 N/A VAL 230.A N TRP 243.A O no hydrogen 3.440 N/A ARG 233.A N GLN 241.A O no hydrogen 2.914 N/A ARG 233.A NE GLN 241.A OE1 no hydrogen 2.979 N/A ARG 233.A NH2 GLN 241.A OE1 no hydrogen 3.233 N/A ALA 235.A N THR 239.A O no hydrogen 2.810 N/A ARG 238.A NH2 ARG 47.A O no hydrogen 2.973 N/A THR 239.A N ASP 237.A OD1 no hydrogen 3.224 N/A THR 239.A OG1 ASP 237.A OD1 no hydrogen 2.474 N/A PHE 240.A N PHE 207.A O no hydrogen 2.970 N/A GLN 241.A N ARG 233.A O no hydrogen 2.833 N/A LYS 242.A N ALA 204.A O no hydrogen 2.962 N/A LYS 242.A NZ VAL 230.A O no hydrogen 2.618 N/A LYS 242.A NZ THR 232.A OG1 no hydrogen 3.068 N/A ALA 244.A N CYS 202.A O no hydrogen 3.026 N/A ALA 245.A N GLU 228.A O no hydrogen 2.815 N/A VAL 246.A N LEU 200.A O no hydrogen 3.000 N/A VAL 248.A N ALA 198.A O no hydrogen 2.818 N/A SER 250.A N HIS 196.A O no hydrogen 2.840 N/A GLY 251.A N GLU 253.A OE1 no hydrogen 2.840 N/A GLU 252.A N PRO 249.A O no hydrogen 3.026 N/A GLU 253.A N GLU 253.A OE1 no hydrogen 2.663 N/A ARG 255.A N GLU 252.A O no hydrogen 2.794 N/A ARG 255.A NH1 ASP 219.A OD1 no hydrogen 3.485 N/A ARG 255.A NH1 ASP 219.A OD2 no hydrogen 3.311 N/A TYR 256.A N GLU 253.A O no hydrogen 3.215 N/A THR 257.A N GLN 217.A O no hydrogen 2.903 N/A THR 257.A OG1 HIS 259.A NE2 no hydrogen 2.883 N/A CYS 258.A N LEU 271.A O no hydrogen 2.695 N/A CYS 258.A SG THR 215.A O no hydrogen 3.962 N/A HIS 259.A N THR 215.A O no hydrogen 2.806 N/A HIS 259.A NE2 THR 257.A OG1 no hydrogen 2.883 N/A VAL 260.A N LEU 269.A O no hydrogen 3.098 N/A GLN 261.A N THR 213.A O no hydrogen 2.961 N/A HIS 262.A NE2 PRO 209.A O no hydrogen 2.923 N/A GLY 264.A N HIS 262.A ND1 no hydrogen 2.939 N/A LEU 265.A N HIS 262.A O no hydrogen 3.076 N/A LEU 269.A N VAL 260.A O no hydrogen 3.025 N/A LEU 271.A N CYS 258.A O no hydrogen 2.702 N/A ARG 272.A NH1 GLN 254.A O no hydrogen 2.940 N/A