Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1u6j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N ASP 31.A O no hydrogen 2.559 N/A LYS 4.A N ASP 65.A OD1 no hydrogen 2.693 N/A LYS 4.A NZ PHE 62.A O no hydrogen 2.433 N/A ALA 5.A N GLU 33.A O no hydrogen 3.326 N/A ILE 6.A N PHE 66.A O no hydrogen 3.322 N/A PHE 7.A N ARG 35.A O no hydrogen 2.976 N/A ILE 8.A N VAL 68.A O no hydrogen 2.730 N/A LYS 9.A N VAL 37.A O no hydrogen 2.866 N/A LYS 9.A NZ MET 17.A O no hydrogen 3.391 N/A LYS 9.A NZ ASP 20.A OD1 no hydrogen 3.143 N/A CYS 10.A N GLY 70.A O no hydrogen 3.371 N/A CYS 10.A SG THR 39.A OG1 no hydrogen 3.710 N/A GLY 11.A N SER 40.A O no hydrogen 2.897 N/A ASN 12.A ND2 ASN 140.A OD1 no hydrogen 3.477 N/A GLY 14.A N ASP 121.A OD1 no hydrogen 2.969 N/A THR 15.A N ASP 121.A OD2 no hydrogen 2.842 N/A THR 15.A OG1 ASP 121.A OD2 no hydrogen 2.731 N/A SER 16.A OG LEU 13.A O no hydrogen 3.036 N/A MET 17.A N LEU 13.A O no hydrogen 2.814 N/A MET 18.A N GLY 14.A O no hydrogen 3.379 N/A MET 19.A N THR 15.A O no hydrogen 2.768 N/A LEU 22.A N MET 18.A O no hydrogen 3.065 N/A LEU 23.A N ASP 20.A O no hydrogen 3.086 N/A ASP 24.A N MET 21.A O no hydrogen 3.151 N/A GLU 25.A N GLU 25.A OE2 no hydrogen 2.879 N/A ARG 26.A NE ASP 28.A OD2 no hydrogen 2.914 N/A ARG 26.A NH1 HIS 265.A O no hydrogen 2.623 N/A ARG 26.A NH2 GLU 25.A OE1 no hydrogen 2.695 N/A ALA 27.A N ASP 24.A O no hydrogen 2.690 N/A ARG 29.A N ASP 24.A OD1 no hydrogen 3.139 N/A ARG 29.A NE ASP 31.A OD2 no hydrogen 2.906 N/A ARG 29.A NH1 ASP 31.A OD1 no hydrogen 2.964 N/A ARG 29.A NH1 ASP 31.A OD2 no hydrogen 3.361 N/A ARG 29.A NH2 LEU 23.A O no hydrogen 2.626 N/A ARG 29.A NH2 ASP 161.A OD2 no hydrogen 2.846 N/A GLU 30.A N PRO 267.A O no hydrogen 2.774 N/A GLU 33.A N ALA 3.A O no hydrogen 2.846 N/A ARG 35.A N ALA 5.A O no hydrogen 3.158 N/A ARG 35.A NH1 GLU 33.A OE1 no hydrogen 2.667 N/A ARG 35.A NH2 PHE 34.A O no hydrogen 2.633 N/A VAL 37.A N PHE 7.A O no hydrogen 2.992 N/A THR 39.A OG1 LYS 42.A O no hydrogen 2.713 N/A CYS 47.A N ASP 44.A OD2 no hydrogen 2.969 N/A CYS 47.A SG ASP 44.A OD1 no hydrogen 3.007 N/A CYS 47.A SG ASP 44.A OD2 no hydrogen 3.566 N/A VAL 48.A N ASP 44.A O no hydrogen 2.808 N/A GLU 49.A N PRO 45.A O no hydrogen 3.038 N/A ALA 50.A N GLU 46.A O no hydrogen 3.128 N/A ALA 51.A N CYS 47.A O no hydrogen 2.763 N/A VAL 52.A N VAL 48.A O no hydrogen 2.797 N/A GLU 53.A N GLU 49.A O no hydrogen 2.850 N/A MET 54.A N ALA 50.A O no hydrogen 2.985 N/A ALA 55.A N ALA 51.A O no hydrogen 3.082 N/A LEU 56.A N VAL 52.A O no hydrogen 2.872 N/A ASP 57.A N GLU 53.A O no hydrogen 2.920 N/A ASP 57.A N MET 54.A O no hydrogen 3.104 N/A ILE 58.A N MET 54.A O no hydrogen 2.964 N/A ALA 59.A N ALA 55.A O no hydrogen 2.721 N/A PHE 62.A N ILE 58.A O no hydrogen 2.775 N/A GLU 63.A N ALA 59.A O no hydrogen 2.596 N/A ASP 65.A N LYS 4.A O no hydrogen 2.551 N/A ILE 67.A N PRO 92.A O no hydrogen 2.762 N/A VAL 68.A N ILE 6.A O no hydrogen 2.753 N/A TYR 69.A N VAL 94.A O no hydrogen 2.910 N/A GLY 70.A N ILE 8.A O no hydrogen 2.984 N/A GLY 71.A N ILE 96.A O no hydrogen 3.228 N/A ASN 73.A N ASP 98.A OD1 no hydrogen 3.320 N/A ALA 75.A N ASN 73.A OD1 no hydrogen 2.804 N/A ALA 76.A N ASN 73.A O no hydrogen 3.006 N/A SER 80.A N ALA 76.A O no hydrogen 2.886 N/A SER 80.A OG PRO 74.A O no hydrogen 3.540 N/A SER 80.A OG ALA 75.A O no hydrogen 3.304 N/A SER 80.A OG ALA 76.A O no hydrogen 2.795 N/A LYS 81.A N PRO 77.A O no hydrogen 2.891 N/A LYS 81.A NZ GLU 84.A OE1 no hydrogen 3.332 N/A ALA 82.A N GLY 78.A O no hydrogen 3.159 N/A ARG 83.A N PRO 79.A O no hydrogen 2.853 N/A ARG 83.A NE PRO 74.A O no hydrogen 2.746 N/A ARG 83.A NH1 PRO 74.A O no hydrogen 3.145 N/A ARG 83.A NH1 SER 80.A OG no hydrogen 2.658 N/A ARG 83.A NH1 GLU 107.A OE1 no hydrogen 3.409 N/A ARG 83.A NH2 GLU 107.A OE1 no hydrogen 3.307 N/A ARG 83.A NH2 GLN 111.A OE1 no hydrogen 2.940 N/A GLU 84.A N SER 80.A O no hydrogen 2.967 N/A MET 85.A N LYS 81.A O no hydrogen 3.068 N/A LEU 86.A N ALA 82.A O no hydrogen 2.913 N/A ALA 87.A N ARG 83.A O no hydrogen 2.891 N/A SER 89.A N LEU 86.A O no hydrogen 3.326 N/A SER 89.A OG LEU 86.A O no hydrogen 3.330 N/A TYR 91.A N SER 89.A OG no hydrogen 3.017 N/A VAL 94.A N ILE 67.A O no hydrogen 2.846 N/A ILE 95.A N GLY 114.A O no hydrogen 2.766 N/A ILE 96.A N TYR 69.A O no hydrogen 2.744 N/A GLY 97.A N ILE 116.A O no hydrogen 3.071 N/A ASP 98.A N ASP 98.A OD2 no hydrogen 2.518 N/A GLY 101.A N ASP 98.A O no hydrogen 3.028 N/A LEU 102.A N ALA 99.A O no hydrogen 2.838 N/A VAL 104.A N GLY 101.A O no hydrogen 3.114 N/A LYS 105.A N LEU 102.A O no hydrogen 3.173 N/A LYS 105.A NZ GLU 109.A OE2 no hydrogen 3.096 N/A LYS 105.A NZ TYR 115.A OH no hydrogen 3.569 N/A MET 108.A N VAL 104.A O no hydrogen 2.863 N/A GLU 109.A N LYS 105.A O no hydrogen 3.276 N/A GLU 110.A N ASP 106.A O no hydrogen 3.215 N/A GLN 111.A N MET 108.A O no hydrogen 3.093 N/A GLY 112.A N GLU 109.A O no hydrogen 3.177 N/A LEU 113.A N MET 108.A O no hydrogen 3.109 N/A GLY 114.A N ALA 93.A O no hydrogen 2.906 N/A TYR 115.A N PRO 178.A O no hydrogen 2.723 N/A TYR 115.A OH GLU 109.A OE2 no hydrogen 2.978 N/A ILE 116.A N ILE 95.A O no hydrogen 2.905 N/A LEU 117.A N LEU 180.A O no hydrogen 2.865 N/A VAL 118.A N GLY 97.A O no hydrogen 2.779 N/A LYS 119.A N ILE 182.A O no hydrogen 2.967 N/A LYS 119.A NZ GLU 210.A OE1 no hydrogen 3.168 N/A ASP 121.A N VAL 118.A O no hydrogen 3.142 N/A ALA 122.A N PRO 120.A O no hydrogen 2.624 N/A ALA 126.A N LEU 124.A O no hydrogen 2.646 N/A ARG 127.A N GLY 125.A O no hydrogen 2.726 N/A ARG 127.A NE GLY 219.A O no hydrogen 2.769 N/A ARG 127.A NH1 GLY 219.A O no hydrogen 3.466 N/A ARG 127.A NH1 GLU 223.A O no hydrogen 2.850 N/A GLU 129.A N GLU 129.A OE2 no hydrogen 2.617 N/A PHE 130.A N ARG 127.A O no hydrogen 2.866 N/A LEU 131.A N ARG 127.A O no hydrogen 2.741 N/A GLU 135.A N ASP 132.A OD1 no hydrogen 3.180 N/A MET 136.A N ASP 132.A O no hydrogen 2.961 N/A ALA 137.A N PRO 133.A O no hydrogen 2.832 N/A ILE 138.A N VAL 134.A O no hydrogen 2.882 N/A TYR 139.A N GLU 135.A O no hydrogen 2.884 N/A TYR 139.A OH ALA 122.A O no hydrogen 2.733 N/A ASN 140.A N MET 136.A O no hydrogen 3.387 N/A ALA 141.A N ALA 137.A O no hydrogen 3.121 N/A ALA 141.A N ILE 138.A O no hydrogen 3.128 N/A ASP 142.A N ILE 138.A O no hydrogen 3.139 N/A LEU 143.A N TYR 139.A O no hydrogen 2.837 N/A MET 144.A N ASN 140.A O no hydrogen 2.953 N/A LYS 145.A N ALA 141.A O no hydrogen 3.022 N/A LYS 145.A NZ ASP 248.A OD1 no hydrogen 3.048 N/A VAL 146.A N ASP 142.A O no hydrogen 2.945 N/A LEU 147.A N LEU 143.A O no hydrogen 2.897 N/A ALA 148.A N MET 144.A O no hydrogen 3.032 N/A ALA 149.A N LYS 145.A O no hydrogen 3.068 N/A THR 150.A N VAL 146.A O no hydrogen 3.128 N/A THR 150.A OG1 VAL 146.A O no hydrogen 2.959 N/A GLY 151.A N ALA 148.A O no hydrogen 2.894 N/A PHE 153.A N LEU 147.A O no hydrogen 2.982 N/A ARG 154.A N GLY 151.A O no hydrogen 2.996 N/A ARG 154.A NE GLU 192.A OE1 no hydrogen 3.354 N/A ARG 154.A NE GLU 192.A OE2 no hydrogen 3.276 N/A ARG 154.A NH1 GLU 192.A OE2 no hydrogen 2.486 N/A ARG 154.A NH1 LEU 261.A O no hydrogen 3.360 N/A ARG 154.A NH2 THR 263.A OG1 no hydrogen 2.970 N/A VAL 155.A N GLY 151.A O no hydrogen 3.285 N/A VAL 156.A N VAL 152.A O no hydrogen 3.334 N/A GLN 157.A N PHE 153.A O no hydrogen 2.817 N/A GLN 157.A NE2 THR 263.A O no hydrogen 3.310 N/A GLU 158.A N ARG 154.A O no hydrogen 2.912 N/A ALA 159.A N VAL 155.A O no hydrogen 2.949 N/A PHE 160.A N VAL 156.A O no hydrogen 3.096 N/A ASP 161.A N GLN 157.A O no hydrogen 2.813 N/A GLU 162.A N GLU 158.A O no hydrogen 3.128 N/A LEU 163.A N ALA 159.A O no hydrogen 3.354 N/A ILE 164.A N PHE 160.A O no hydrogen 2.743 N/A GLU 165.A N ASP 161.A O no hydrogen 3.008 N/A LYS 166.A N GLU 162.A O no hydrogen 3.242 N/A LYS 166.A NZ GLU 162.A OE2 no hydrogen 3.177 N/A LYS 166.A NZ ASP 176.A OD2 no hydrogen 3.026 N/A ALA 167.A N LEU 163.A O no hydrogen 3.051 N/A LYS 168.A N ILE 164.A O no hydrogen 3.073 N/A LYS 168.A NZ ASP 31.A OD1 no hydrogen 2.424 N/A LYS 168.A NZ GLU 165.A OE1 no hydrogen 3.149 N/A LYS 168.A NZ GLU 165.A OE2 no hydrogen 3.320 N/A GLU 169.A N LYS 166.A O no hydrogen 2.911 N/A ASP 170.A N ALA 167.A O no hydrogen 2.805 N/A GLU 171.A N LYS 166.A O no hydrogen 3.165 N/A SER 173.A N ASP 176.A OD1 no hydrogen 3.246 N/A ASN 175.A N SER 173.A OG no hydrogen 3.063 N/A ASP 176.A N SER 173.A O no hydrogen 2.734 N/A LEU 177.A N GLU 174.A O no hydrogen 3.299 N/A LEU 180.A N TYR 115.A O no hydrogen 2.885 N/A ILE 182.A N LEU 117.A O no hydrogen 2.801 N/A ASP 183.A N THR 186.A OG1 no hydrogen 2.998 N/A ARG 184.A NE GLU 207.A OE2 no hydrogen 3.066 N/A ARG 184.A NH1 GLU 207.A OE2 no hydrogen 2.971 N/A ARG 184.A NH2 ASN 185.A OD1 no hydrogen 3.108 N/A THR 186.A N ASP 183.A O no hydrogen 2.961 N/A THR 186.A N ASP 183.A OD2 no hydrogen 3.403 N/A THR 186.A OG1 ASP 183.A O no hydrogen 3.166 N/A THR 186.A OG1 ASP 183.A OD2 no hydrogen 3.520 N/A LEU 187.A N ARG 184.A O no hydrogen 3.171 N/A LEU 188.A N ASN 185.A O no hydrogen 2.876 N/A ARG 190.A N LEU 187.A O no hydrogen 3.232 N/A ARG 190.A NH2 GLU 158.A OE2 no hydrogen 3.365 N/A GLU 194.A N GLU 254.A OE1 no hydrogen 2.871 N/A ASN 195.A N GLU 254.A OE2 no hydrogen 2.835 N/A MET 199.A N ASN 195.A O no hydrogen 3.357 N/A VAL 200.A N PRO 196.A O no hydrogen 2.913 N/A LYS 201.A N TYR 197.A O no hydrogen 3.007 N/A LYS 201.A NZ GLU 249.A OE1 no hydrogen 2.689 N/A ALA 202.A N ALA 198.A O no hydrogen 2.893 N/A MET 203.A N MET 199.A O no hydrogen 2.895 N/A ALA 204.A N VAL 200.A O no hydrogen 2.973 N/A ALA 205.A N LYS 201.A O no hydrogen 3.050 N/A LEU 206.A N ALA 202.A O no hydrogen 3.105 N/A GLU 207.A N MET 203.A O no hydrogen 2.829 N/A ILE 208.A N ALA 204.A O no hydrogen 3.167 N/A ALA 209.A N ALA 205.A O no hydrogen 3.045 N/A GLU 210.A N LEU 206.A O no hydrogen 2.914 N/A ASN 211.A N GLU 207.A O no hydrogen 2.959 N/A VAL 212.A N ILE 208.A O no hydrogen 2.943 N/A VAL 212.A N ALA 209.A O no hydrogen 3.056 N/A ALA 213.A N GLU 210.A O no hydrogen 3.352 N/A SER 216.A N VAL 212.A O no hydrogen 3.018 N/A SER 216.A OG MET 123.A O no hydrogen 2.815 N/A SER 216.A OG VAL 212.A O no hydrogen 3.382 N/A VAL 217.A N ALA 213.A O no hydrogen 2.940 N/A GLU 218.A N ASP 214.A O no hydrogen 2.861 N/A GLY 219.A N VAL 215.A O no hydrogen 2.980 N/A CYS 220.A N SER 216.A O no hydrogen 2.764 N/A CYS 220.A SG LEU 124.A O no hydrogen 3.975 N/A PHE 221.A N VAL 217.A O no hydrogen 2.801 N/A VAL 222.A N GLU 218.A O no hydrogen 3.182 N/A GLU 223.A N GLU 218.A O no hydrogen 2.734 N/A ASP 225.A N GLU 223.A OE1 no hydrogen 3.054 N/A GLU 227.A N ASP 225.A OD2 no hydrogen 3.012 N/A ARG 228.A N ASP 225.A O no hydrogen 2.706 N/A TYR 229.A N ASP 225.A O no hydrogen 2.865 N/A TYR 229.A OH GLU 129.A OE1 no hydrogen 2.648 N/A VAL 230.A N LYS 226.A O no hydrogen 3.339 N/A ILE 232.A N ARG 228.A O no hydrogen 3.256 N/A VAL 233.A N TYR 229.A O no hydrogen 3.013 N/A ALA 234.A N VAL 230.A O no hydrogen 3.168 N/A SER 235.A N PRO 231.A O no hydrogen 2.994 N/A SER 235.A OG ILE 232.A O no hydrogen 2.882 N/A ALA 236.A N ILE 232.A O no hydrogen 3.191 N/A ALA 236.A N VAL 233.A O no hydrogen 3.004 N/A HIS 237.A N VAL 233.A O no hydrogen 3.266 N/A GLU 238.A N ALA 234.A O no hydrogen 3.098 N/A MET 239.A N SER 235.A O no hydrogen 3.147 N/A MET 240.A N ALA 236.A O no hydrogen 3.089 N/A ARG 241.A N HIS 237.A O no hydrogen 3.154 N/A LYS 242.A N GLU 238.A O no hydrogen 3.271 N/A LYS 242.A N MET 239.A O no hydrogen 2.923 N/A LYS 242.A NZ GLU 245.A OE1 no hydrogen 2.701 N/A LYS 242.A NZ GLU 245.A OE2 no hydrogen 2.792 N/A ALA 243.A N MET 239.A O no hydrogen 2.892 N/A ALA 244.A N MET 240.A O no hydrogen 2.915 N/A GLU 245.A N ARG 241.A O no hydrogen 3.364 N/A LEU 246.A N LYS 242.A O no hydrogen 3.164 N/A ALA 247.A N ALA 243.A O no hydrogen 2.985 N/A ASP 248.A N ALA 244.A O no hydrogen 2.893 N/A GLU 249.A N GLU 245.A O no hydrogen 2.888 N/A ALA 250.A N LEU 246.A O no hydrogen 2.949 N/A ARG 251.A N ALA 247.A O no hydrogen 3.183 N/A GLU 252.A N ASP 248.A O no hydrogen 2.884 N/A LEU 253.A N GLU 249.A O no hydrogen 3.255 N/A LEU 253.A N ALA 250.A O no hydrogen 3.323 N/A GLU 254.A N ALA 250.A O no hydrogen 3.359 N/A LYS 255.A N ARG 251.A O no hydrogen 3.216 N/A LYS 255.A NZ GLU 252.A OE1 no hydrogen 2.747 N/A SER 256.A N GLU 252.A O no hydrogen 3.230 N/A SER 256.A OG LEU 253.A O no hydrogen 2.560 N/A SER 256.A OG ASN 257.A OD1 no hydrogen 2.973 N/A ASN 257.A N LEU 253.A O no hydrogen 3.154 N/A ASN 257.A N GLU 254.A O no hydrogen 3.031 N/A ASN 257.A ND2 GLU 194.A OE1 no hydrogen 3.318 N/A ASN 257.A ND2 ASN 195.A OD1 no hydrogen 3.107 N/A ASP 258.A N LYS 255.A O no hydrogen 2.910 N/A ALA 259.A N GLU 254.A O no hydrogen 2.879 N/A ARG 262.A N LYS 274.A O no hydrogen 3.028 N/A THR 263.A OG1 GLN 157.A OE1 no hydrogen 3.398 N/A HIS 265.A N GLU 25.A OE1 no hydrogen 2.717 N/A HIS 265.A ND1 GLU 25.A OE2 no hydrogen 2.738 N/A HIS 265.A NE2 ASP 161.A OD1 no hydrogen 2.408 N/A HIS 265.A NE2 ASP 161.A OD2 no hydrogen 3.014 N/A ALA 266.A N LYS 270.A O no hydrogen 2.688 N/A GLY 269.A N ALA 266.A O no hydrogen 2.667 N/A LYS 270.A NZ GLU 282.A O no hydrogen 3.179 N/A LEU 272.A N PRO 264.A O no hydrogen 2.758 N/A LYS 274.A NZ PHE 277.A O no hydrogen 2.665 N/A LYS 274.A NZ GLU 279.A O no hydrogen 2.962 N/A ARG 275.A N GLU 279.A OE1 no hydrogen 2.619 N/A ARG 275.A NH1 GLU 192.A O no hydrogen 2.674 N/A ARG 275.A NH2 GLU 192.A O no hydrogen 3.056 N/A ARG 275.A NH2 ALA 259.A O no hydrogen 2.605 N/A LYS 276.A N GLU 279.A OE1 no hydrogen 2.768 N/A LYS 276.A NZ ASP 258.A O no hydrogen 3.567 N/A PHE 277.A N ASP 258.A OD1 no hydrogen 2.838 N/A GLU 279.A N LYS 276.A O no hydrogen 3.013 N/A GLU 282.A N SER 273.A O no hydrogen 2.967 N/A