Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1k3a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 5.A N ASP 3.A OD2 no hydrogen 3.151 N/A GLU 6.A N ASP 3.A O no hydrogen 3.334 N/A VAL 7.A N VAL 81.A O no hydrogen 2.959 N/A ARG 9.A NH1 PRO 87.A O no hydrogen 3.053 N/A ARG 9.A NH2 GLN 84.A O no hydrogen 2.829 N/A ARG 9.A NH2 PRO 87.A O no hydrogen 2.860 N/A LYS 11.A N ALA 8.A O no hydrogen 2.934 N/A ILE 12.A N ARG 9.A O no hydrogen 3.160 N/A THR 13.A N VAL 30.A O no hydrogen 2.869 N/A THR 13.A OG1 VAL 30.A O no hydrogen 3.399 N/A SER 15.A N GLU 28.A O no hydrogen 2.914 N/A ARG 16.A N GLU 28.A O no hydrogen 3.236 N/A LEU 18.A N VAL 26.A O no hydrogen 2.788 N/A GLY 19.A N VAL 26.A O no hydrogen 3.266 N/A GLY 21.A N GLY 24.A O no hydrogen 2.739 N/A VAL 26.A N GLY 19.A O no hydrogen 2.830 N/A TYR 27.A N ILE 45.A O no hydrogen 2.726 N/A GLU 28.A N ARG 16.A O no hydrogen 2.739 N/A GLY 29.A N VAL 43.A O no hydrogen 2.881 N/A VAL 30.A N THR 13.A O no hydrogen 2.953 N/A ALA 31.A N THR 41.A O no hydrogen 2.830 N/A LYS 32.A N LYS 11.A O no hydrogen 2.897 N/A GLY 33.A N PRO 39.A O no hydrogen 2.814 N/A GLU 38.A N VAL 35.A O no hydrogen 3.166 N/A THR 41.A N ALA 31.A O no hydrogen 2.670 N/A THR 41.A OG1 GLU 38.A OE2 no hydrogen 2.501 N/A ARG 42.A NH2 GLU 28.A OE2 no hydrogen 2.905 N/A VAL 43.A N GLY 29.A O no hydrogen 2.945 N/A ALA 44.A N MET 92.A O no hydrogen 2.875 N/A ILE 45.A N TYR 27.A O no hydrogen 2.546 N/A LYS 46.A N VAL 90.A O no hydrogen 2.947 N/A THR 47.A N MET 25.A O no hydrogen 3.280 N/A THR 47.A OG1 MET 25.A O no hydrogen 2.847 N/A VAL 48.A N THR 88.A O no hydrogen 3.102 N/A ASN 49.A N PHE 23.A O no hydrogen 3.100 N/A ALA 52.A N ASN 49.A O no hydrogen 2.743 N/A SER 53.A N GLU 56.A OE1 no hydrogen 3.025 N/A SER 53.A OG GLU 56.A OE1 no hydrogen 3.214 N/A GLU 56.A N SER 53.A OG no hydrogen 3.243 N/A ARG 57.A N SER 53.A O no hydrogen 2.901 N/A ARG 57.A NH2 ALA 52.A O no hydrogen 3.468 N/A ILE 58.A N MET 54.A O no hydrogen 2.815 N/A GLU 59.A N ARG 55.A O no hydrogen 3.141 N/A PHE 60.A N GLU 56.A O no hydrogen 2.837 N/A LEU 61.A N ARG 57.A O no hydrogen 2.992 N/A ASN 62.A N ILE 58.A O no hydrogen 2.801 N/A GLU 63.A N GLU 59.A O no hydrogen 3.116 N/A ALA 64.A N PHE 60.A O no hydrogen 3.390 N/A SER 65.A N LEU 61.A O no hydrogen 2.887 N/A SER 65.A OG LEU 61.A O no hydrogen 3.344 N/A VAL 66.A N ASN 62.A O no hydrogen 3.058 N/A MET 67.A N GLU 63.A O no hydrogen 3.178 N/A LYS 68.A N ALA 64.A O no hydrogen 3.121 N/A LYS 68.A N SER 65.A O no hydrogen 3.132 N/A GLU 69.A N VAL 66.A O no hydrogen 3.186 N/A PHE 70.A N MET 67.A O no hydrogen 2.977 N/A ASN 71.A N TYR 130.A OH no hydrogen 2.783 N/A HIS 74.A ND1 ASP 126.A OD2 no hydrogen 2.850 N/A VAL 75.A N CYS 72.A O no hydrogen 3.126 N/A VAL 76.A N ILE 156.A O no hydrogen 2.795 N/A ARG 77.A N GLU 93.A OE2 no hydrogen 3.039 N/A ARG 77.A NH2 ASN 71.A OD1 no hydrogen 3.156 N/A LEU 79.A N ILE 91.A O no hydrogen 2.775 N/A GLY 80.A N ILE 91.A O no hydrogen 3.175 N/A VAL 81.A N TRP 5.A O no hydrogen 2.802 N/A VAL 82.A N LEU 89.A O no hydrogen 2.864 N/A SER 83.A N GLU 6.A OE2 no hydrogen 2.756 N/A SER 83.A OG GLU 6.A OE1 no hydrogen 2.564 N/A SER 83.A OG GLU 6.A OE2 no hydrogen 3.475 N/A LEU 89.A N VAL 82.A O no hydrogen 3.212 N/A VAL 90.A N LYS 46.A O no hydrogen 2.956 N/A ILE 91.A N GLY 80.A O no hydrogen 2.878 N/A MET 92.A N ALA 44.A O no hydrogen 2.994 N/A GLU 93.A N ARG 77.A O no hydrogen 2.848 N/A THR 96.A OG1 GLU 150.A OE2 no hydrogen 2.776 N/A ARG 97.A N VAL 148.A O no hydrogen 2.867 N/A ARG 97.A NE GLU 150.A O no hydrogen 2.686 N/A ARG 97.A NH2 GLU 150.A O no hydrogen 3.330 N/A GLY 98.A N MET 95.A O no hydrogen 3.142 N/A LEU 100.A N CYS 146.A O no hydrogen 2.819 N/A SER 102.A N ASP 99.A OD2 no hydrogen 2.979 N/A SER 102.A OG ASP 99.A OD1 no hydrogen 2.657 N/A SER 102.A OG ASP 99.A OD2 no hydrogen 3.245 N/A TYR 103.A N ASP 99.A O no hydrogen 3.117 N/A LEU 104.A N LEU 100.A O no hydrogen 2.927 N/A ARG 105.A N LYS 101.A O no hydrogen 2.934 N/A ARG 105.A NH1 ALA 211.A O no hydrogen 3.130 N/A SER 106.A N SER 102.A O no hydrogen 2.937 N/A SER 106.A OG TYR 103.A O no hydrogen 2.682 N/A LEU 107.A N LEU 104.A O no hydrogen 3.001 N/A ARG 108.A N ARG 105.A O no hydrogen 2.887 N/A ARG 108.A NE LEU 210.A O no hydrogen 3.010 N/A ARG 108.A NH2 GLU 212.A OE1 no hydrogen 2.665 N/A LYS 116.A N SER 113.A OG no hydrogen 3.185 N/A MET 117.A N SER 113.A O no hydrogen 2.923 N/A ILE 118.A N LEU 114.A O no hydrogen 2.947 N/A GLN 119.A N SER 115.A O no hydrogen 2.890 N/A GLN 119.A NE2 GLU 123.A OE2 no hydrogen 3.140 N/A MET 120.A N LYS 116.A O no hydrogen 3.090 N/A ALA 121.A N MET 117.A O no hydrogen 3.040 N/A GLY 122.A N ILE 118.A O no hydrogen 2.954 N/A GLU 123.A N GLN 119.A O no hydrogen 3.053 N/A ILE 124.A N MET 120.A O no hydrogen 3.024 N/A ALA 125.A N ALA 121.A O no hydrogen 2.998 N/A ASP 126.A N GLY 122.A O no hydrogen 2.914 N/A GLY 127.A N GLU 123.A O no hydrogen 3.017 N/A MET 128.A N ILE 124.A O no hydrogen 2.959 N/A ALA 129.A N ALA 125.A O no hydrogen 2.747 N/A TYR 130.A N ASP 126.A O no hydrogen 2.976 N/A TYR 130.A OH GLU 69.A O no hydrogen 3.411 N/A LEU 131.A N GLY 127.A O no hydrogen 2.983 N/A ASN 132.A N MET 128.A O no hydrogen 2.807 N/A ASN 132.A ND2 PHE 136.A O no hydrogen 2.907 N/A ASN 132.A ND2 ASP 196.A OD2 no hydrogen 3.344 N/A ALA 133.A N ALA 129.A O no hydrogen 2.800 N/A ASN 134.A N TYR 130.A O no hydrogen 3.086 N/A ASN 134.A N LEU 131.A O no hydrogen 3.078 N/A LYS 135.A N ASN 132.A O no hydrogen 2.931 N/A LYS 135.A NZ ASP 168.A OD2 no hydrogen 2.989 N/A PHE 136.A N LEU 131.A O no hydrogen 3.118 N/A VAL 137.A N ARG 163.A O no hydrogen 2.922 N/A HIS 138.A N ASP 196.A OD2 no hydrogen 2.833 N/A ARG 139.A N ASP 196.A OD1 no hydrogen 2.922 N/A ARG 139.A NH1 MET 161.A O no hydrogen 2.970 N/A ASP 140.A N HIS 138.A ND1 no hydrogen 3.068 N/A ALA 143.A N GLU 206.A OE1 no hydrogen 2.955 N/A ARG 144.A NH2 ASP 140.A OD1 no hydrogen 3.032 N/A ASN 145.A N ALA 142.A O no hydrogen 2.856 N/A ASN 145.A ND2 ASP 140.A O no hydrogen 2.677 N/A CYS 146.A N ALA 143.A O no hydrogen 3.143 N/A CYS 146.A SG ALA 142.A O no hydrogen 3.675 N/A MET 147.A N LYS 155.A O no hydrogen 2.748 N/A VAL 148.A N GLY 98.A O no hydrogen 2.829 N/A ALA 149.A N THR 153.A O no hydrogen 2.866 N/A PHE 152.A N ALA 149.A O no hydrogen 2.818 N/A THR 153.A N ASP 151.A OD1 no hydrogen 3.060 N/A THR 153.A OG1 ASP 151.A OD1 no hydrogen 2.739 N/A THR 153.A OG1 ASP 151.A OD2 no hydrogen 3.390 N/A VAL 154.A N GLU 123.A OE1 no hydrogen 2.798 N/A LYS 155.A N MET 147.A O no hydrogen 2.898 N/A LYS 155.A NZ GLU 93.A OE1 no hydrogen 2.482 N/A LYS 155.A NZ GLU 93.A OE2 no hydrogen 3.538 N/A ILE 156.A N HIS 74.A O no hydrogen 3.017 N/A GLY 157.A N ASN 145.A O no hydrogen 2.822 N/A PHE 159.A N GLU 63.A OE2 no hydrogen 2.967 N/A GLY 160.A N ASP 158.A OD2 no hydrogen 3.255 N/A THR 162.A N PHE 159.A O no hydrogen 3.200 N/A THR 162.A OG1 PHE 159.A O no hydrogen 3.521 N/A ARG 163.A N VAL 137.A O no hydrogen 2.944 N/A ARG 163.A NH1 THR 162.A O no hydrogen 2.854 N/A ILE 165.A N LYS 135.A O no hydrogen 2.775 N/A ASP 168.A N ILE 165.A O no hydrogen 2.729 N/A LYS 170.A N GLY 189.A O no hydrogen 2.768 N/A VAL 178.A N LEU 176.A O no hydrogen 2.792 N/A ARG 179.A NH1 PRO 214.A O no hydrogen 3.002 N/A ARG 179.A NH1 TYR 215.A O no hydrogen 2.834 N/A ARG 179.A NH1 LEU 218.A O no hydrogen 3.185 N/A ARG 179.A NH2 LEU 218.A O no hydrogen 2.681 N/A ARG 179.A NH2 ASN 220.A OD1 no hydrogen 3.196 N/A TRP 180.A N PRO 177.A O no hydrogen 2.935 N/A TRP 180.A NE1 GLU 206.A OE1 no hydrogen 3.020 N/A MET 181.A N VAL 178.A O no hydrogen 3.305 N/A SER 182.A OG SER 185.A OG no hydrogen 2.994 N/A GLU 184.A N GLU 184.A OE1 no hydrogen 2.734 N/A SER 185.A N SER 182.A OG no hydrogen 3.212 N/A SER 185.A OG SER 182.A OG no hydrogen 2.994 N/A SER 185.A OG VAL 190.A O no hydrogen 2.726 N/A LEU 186.A N SER 182.A O no hydrogen 2.979 N/A LYS 187.A N PRO 183.A O no hydrogen 2.966 N/A ASP 188.A N GLU 184.A O no hydrogen 3.026 N/A GLY 189.A N SER 185.A O no hydrogen 2.796 N/A THR 192.A N SER 195.A OG no hydrogen 2.772 N/A SER 195.A N THR 192.A OG1 no hydrogen 3.147 N/A SER 195.A OG THR 192.A O no hydrogen 2.799 N/A ASP 196.A N THR 192.A O no hydrogen 3.121 N/A VAL 197.A N THR 193.A O no hydrogen 3.024 N/A TRP 198.A N TYR 194.A O no hydrogen 3.122 N/A SER 199.A N SER 195.A O no hydrogen 3.157 N/A SER 199.A OG TRP 180.A O no hydrogen 2.633 N/A SER 199.A OG SER 195.A O no hydrogen 3.368 N/A PHE 200.A N ASP 196.A O no hydrogen 2.968 N/A GLY 201.A N VAL 197.A O no hydrogen 3.128 N/A VAL 202.A N TRP 198.A O no hydrogen 3.238 N/A VAL 203.A N SER 199.A O no hydrogen 2.918 N/A LEU 204.A N PHE 200.A O no hydrogen 2.928 N/A TRP 205.A N GLY 201.A O no hydrogen 3.087 N/A TRP 205.A NE1 ASP 234.A O no hydrogen 3.003 N/A TRP 205.A NE1 ASP 234.A OD1 no hydrogen 3.132 N/A GLU 206.A N VAL 202.A O no hydrogen 2.845 N/A ILE 207.A N VAL 203.A O no hydrogen 2.888 N/A ALA 208.A N LEU 204.A O no hydrogen 2.985 N/A THR 209.A N TRP 205.A O no hydrogen 2.993 N/A THR 209.A OG1 TRP 205.A O no hydrogen 2.954 N/A THR 209.A OG1 GLU 206.A O no hydrogen 3.423 N/A LEU 210.A N ILE 207.A O no hydrogen 3.244 N/A ALA 211.A N GLU 206.A O no hydrogen 2.684 N/A GLU 212.A N THR 209.A OG1 no hydrogen 3.225 N/A LEU 218.A N TYR 215.A O no hydrogen 3.083 N/A SER 219.A N GLN 222.A OE1 no hydrogen 2.951 N/A SER 219.A OG GLN 222.A OE1 no hydrogen 3.432 N/A GLN 222.A N SER 219.A OG no hydrogen 3.281 N/A VAL 223.A N SER 219.A O no hydrogen 2.987 N/A LEU 224.A N ASN 220.A O no hydrogen 3.026 N/A ARG 225.A N GLU 221.A O no hydrogen 3.173 N/A PHE 226.A N GLN 222.A O no hydrogen 2.703 N/A VAL 227.A N VAL 223.A O no hydrogen 2.925 N/A MET 228.A N LEU 224.A O no hydrogen 3.174 N/A GLU 229.A N ARG 225.A O no hydrogen 3.080 N/A GLY 230.A N VAL 227.A O no hydrogen 3.060 N/A GLY 231.A N PHE 226.A O no hydrogen 2.770 N/A CYS 239.A SG PRO 240.A O no hydrogen 3.695 N/A LEU 243.A N PRO 240.A O no hydrogen 2.959 N/A LEU 244.A N PRO 240.A O no hydrogen 3.129 N/A GLU 245.A N ASP 241.A O no hydrogen 2.953 N/A LEU 246.A N MET 242.A O no hydrogen 2.953 N/A MET 247.A N LEU 243.A O no hydrogen 2.900 N/A ARG 248.A N LEU 244.A O no hydrogen 2.938 N/A ARG 248.A NE GLU 245.A OE1 no hydrogen 2.832 N/A ARG 248.A NH2 GLU 245.A OE2 no hydrogen 2.713 N/A MET 249.A N GLU 245.A O no hydrogen 2.918 N/A CYS 250.A N LEU 246.A O no hydrogen 2.771 N/A CYS 250.A SG LEU 246.A O no hydrogen 3.254 N/A TRP 251.A N MET 247.A O no hydrogen 2.872 N/A GLN 252.A N MET 249.A O no hydrogen 3.411 N/A GLN 252.A NE2 ARG 248.A O no hydrogen 3.200 N/A TYR 253.A OH MET 228.A O no hydrogen 2.642 N/A MET 257.A N ASN 254.A O no hydrogen 2.736 N/A ARG 258.A N PRO 255.A O no hydrogen 3.089 N/A ARG 258.A NE GLN 252.A O no hydrogen 2.837 N/A ARG 258.A NH1 GLU 184.A OE2 no hydrogen 2.805 N/A ARG 258.A NH1 TYR 194.A O no hydrogen 3.110 N/A ARG 258.A NH2 GLU 184.A OE1 no hydrogen 2.961 N/A ARG 258.A NH2 GLU 184.A OE2 no hydrogen 3.525 N/A ARG 258.A NH2 GLN 252.A O no hydrogen 3.207 N/A SER 260.A N GLU 263.A OE1 no hydrogen 2.912 N/A GLU 263.A N SER 260.A OG no hydrogen 2.973 N/A ILE 264.A N SER 260.A O no hydrogen 2.888 N/A ILE 265.A N PHE 261.A O no hydrogen 2.917 N/A SER 266.A N LEU 262.A O no hydrogen 2.854 N/A SER 267.A N GLU 263.A O no hydrogen 3.075 N/A SER 267.A OG ILE 264.A O no hydrogen 2.710 N/A ILE 268.A N ILE 265.A O no hydrogen 3.093 N/A GLU 271.A N ILE 268.A O no hydrogen 2.882 N/A MET 272.A N LYS 269.A O no hydrogen 3.265 N/A GLU 273.A N GLN 119.A OE1 no hydrogen 2.862 N/A PHE 276.A N GLU 273.A O no hydrogen 3.146 N/A ARG 277.A N PRO 274.A O no hydrogen 3.379 N/A GLU 278.A N GLY 275.A O no hydrogen 3.160 N/A VAL 279.A N GLY 275.A O no hydrogen 3.252 N/A SER 280.A N PHE 276.A O no hydrogen 2.905 N/A SER 280.A OG PHE 276.A O no hydrogen 2.632 N/A PHE 281.A N ASP 126.A OD2 no hydrogen 2.694 N/A TYR 282.A N ASP 126.A OD1 no hydrogen 2.754 N/A TYR 283.A N SER 280.A OG no hydrogen 3.211 N/A SER 284.A N PHE 281.A O no hydrogen 3.102 N/A SER 284.A OG PHE 281.A O no hydrogen 2.775 N/A GLU 286.A N GLU 286.A OE1 no hydrogen 2.860 N/A ASN 287.A N SER 284.A O no hydrogen 3.255 N/A ASN 287.A ND2 TYR 282.A O no hydrogen 2.935 N/A