Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5k4i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 6.A N GLN 9.A O no hydrogen 2.922 N/A GLN 9.A N VAL 6.A O no hydrogen 3.023 N/A PHE 11.A N GLU 4.A O no hydrogen 3.050 N/A ASP 12.A N TYR 94.A OH no hydrogen 3.002 N/A VAL 13.A N PHE 11.A O no hydrogen 3.031 N/A ARG 16.A NE ASP 36.A OD1 no hydrogen 2.828 N/A ARG 16.A NH2 ASP 36.A OD1 no hydrogen 3.490 N/A ARG 16.A NH2 ASP 36.A OD2 no hydrogen 2.879 N/A TYR 17.A N VAL 13.A O no hydrogen 3.339 N/A TYR 17.A OH ASP 80.A OD2 no hydrogen 2.653 N/A THR 18.A N TYR 35.A O no hydrogen 2.917 N/A THR 18.A OG1 ASN 19.A OD1 no hydrogen 3.034 N/A ASN 19.A N GLU 4.A OE1 no hydrogen 3.248 N/A LEU 20.A N GLU 4.A OE2 no hydrogen 3.297 N/A SER 21.A N SER 33.A O no hydrogen 2.925 N/A TYR 22.A OH GLU 25.A OE2 no hydrogen 3.214 N/A ILE 23.A N VAL 31.A O no hydrogen 2.767 N/A GLY 24.A N VAL 31.A O no hydrogen 3.069 N/A GLY 26.A N GLY 29.A O no hydrogen 2.933 N/A MET 30.A N LYS 47.A O no hydrogen 2.976 N/A VAL 31.A N GLY 24.A O no hydrogen 2.667 N/A CYS 32.A N ILE 45.A O no hydrogen 2.933 N/A SER 33.A N SER 21.A O no hydrogen 2.800 N/A SER 33.A OG SER 21.A O no hydrogen 3.433 N/A ALA 34.A N VAL 43.A O no hydrogen 2.900 N/A TYR 35.A N THR 18.A O no hydrogen 2.580 N/A ASP 36.A N VAL 41.A O no hydrogen 2.853 N/A ASN 37.A N ARG 16.A O no hydrogen 2.952 N/A VAL 38.A N ASP 36.A OD1 no hydrogen 2.885 N/A ASN 39.A N ASP 36.A OD1 no hydrogen 3.273 N/A ARG 42.A NH1 ASN 19.A O no hydrogen 2.955 N/A ARG 42.A NH2 ASN 19.A O no hydrogen 2.845 N/A ARG 42.A NH2 SER 33.A OG no hydrogen 2.858 N/A VAL 43.A N ALA 34.A O no hydrogen 2.774 N/A ALA 44.A N GLN 97.A O no hydrogen 2.815 N/A ILE 45.A N CYS 32.A O no hydrogen 2.721 N/A LYS 46.A N ILE 95.A O no hydrogen 2.858 N/A LYS 46.A NZ GLU 63.A OE1 no hydrogen 2.659 N/A LYS 46.A NZ GLU 63.A OE2 no hydrogen 3.022 N/A LYS 47.A N MET 30.A O no hydrogen 2.791 N/A LYS 47.A NZ GLN 9.A OE1 no hydrogen 2.870 N/A LYS 47.A NZ VAL 10.A O no hydrogen 2.448 N/A ILE 48.A N VAL 93.A O no hydrogen 2.706 N/A SER 49.A N TYR 28.A O no hydrogen 2.837 N/A SER 49.A OG ASP 92.A OD1 no hydrogen 2.598 N/A HIS 53.A N PRO 50.A O no hydrogen 3.250 N/A GLN 54.A NE2 LEU 313.A O no hydrogen 3.241 N/A GLN 54.A NE2 LEU 316.A O no hydrogen 2.432 N/A CYS 57.A N HIS 53.A O no hydrogen 2.943 N/A CYS 57.A SG PRO 50.A O no hydrogen 3.229 N/A CYS 57.A SG HIS 53.A O no hydrogen 3.493 N/A GLN 58.A N GLN 54.A O no hydrogen 3.000 N/A GLN 58.A NE2 GLN 54.A OE1 no hydrogen 2.775 N/A GLN 58.A NE2 ASP 314.A OD1 no hydrogen 3.506 N/A ARG 59.A N THR 55.A O no hydrogen 3.106 N/A THR 60.A N TYR 56.A O no hydrogen 3.059 N/A THR 60.A OG1 TYR 56.A O no hydrogen 2.857 N/A LEU 61.A N CYS 57.A O no hydrogen 3.005 N/A ARG 62.A N GLN 58.A O no hydrogen 2.830 N/A ARG 62.A NH2 GLN 58.A OE1 no hydrogen 2.251 N/A GLU 63.A N ARG 59.A O no hydrogen 2.954 N/A ILE 64.A N THR 60.A O no hydrogen 3.113 N/A LYS 65.A N LEU 61.A O no hydrogen 2.929 N/A LYS 65.A NZ ASP 310.A OD1 no hydrogen 3.105 N/A ILE 66.A N ARG 62.A O no hydrogen 2.956 N/A LEU 67.A N GLU 63.A O no hydrogen 2.870 N/A LEU 68.A N ILE 64.A O no hydrogen 3.039 N/A ARG 69.A N LYS 65.A O no hydrogen 3.157 N/A ARG 69.A N ILE 66.A O no hydrogen 3.092 N/A PHE 70.A N ILE 66.A O no hydrogen 2.801 N/A ARG 71.A N TYR 131.A OH no hydrogen 3.043 N/A ASN 74.A N HIS 72.A ND1 no hydrogen 2.935 N/A ASN 74.A ND2 LEU 155.A O no hydrogen 3.014 N/A ILE 75.A N HIS 72.A O no hydrogen 3.066 N/A ILE 76.A N ILE 157.A O no hydrogen 3.118 N/A ASN 79.A N VAL 96.A O no hydrogen 2.812 N/A ASN 79.A ND2 ASP 98.A OD1 no hydrogen 2.847 N/A ILE 82.A N TYR 94.A O no hydrogen 2.899 N/A ARG 83.A NE THR 329.A OG1 no hydrogen 2.878 N/A ARG 83.A NH1 ALA 84.A O no hydrogen 2.934 N/A ARG 83.A NH2 PHE 326.A O no hydrogen 2.993 N/A GLU 88.A N GLU 88.A OE2 no hydrogen 2.939 N/A GLN 89.A N THR 86.A O no hydrogen 3.127 N/A MET 90.A N ILE 87.A O no hydrogen 3.221 N/A LYS 91.A NZ GLU 88.A O no hydrogen 3.359 N/A VAL 93.A N ILE 48.A O no hydrogen 2.810 N/A TYR 94.A N ILE 82.A O no hydrogen 2.885 N/A TYR 94.A OH VAL 10.A O no hydrogen 3.180 N/A ILE 95.A N LYS 46.A O no hydrogen 2.754 N/A VAL 96.A N ASP 80.A O no hydrogen 2.828 N/A GLN 97.A N ALA 44.A O no hydrogen 2.889 N/A GLN 97.A NE2 GLY 77.A O no hydrogen 3.290 N/A THR 102.A N LEU 149.A O no hydrogen 2.996 N/A THR 102.A OG1 ASP 103.A O no hydrogen 3.425 N/A LEU 104.A N LEU 147.A O no hydrogen 2.917 N/A TYR 105.A N PRO 144.A O no hydrogen 3.374 N/A LYS 106.A N ASP 103.A OD1 no hydrogen 2.673 N/A LEU 107.A N ASP 103.A O no hydrogen 2.974 N/A LEU 108.A N LEU 104.A O no hydrogen 2.889 N/A LYS 109.A N TYR 105.A O no hydrogen 3.213 N/A LYS 109.A N LYS 106.A O no hydrogen 3.064 N/A THR 110.A N LEU 107.A O no hydrogen 3.114 N/A THR 110.A OG1 LYS 106.A O no hydrogen 3.521 N/A THR 110.A OG1 LEU 107.A O no hydrogen 3.325 N/A GLN 111.A N LEU 107.A O no hydrogen 2.759 N/A SER 114.A OG HIS 117.A ND1 no hydrogen 3.079 N/A ASN 115.A ND2 ASP 261.A OD1 no hydrogen 3.383 N/A HIS 117.A N SER 114.A OG no hydrogen 3.057 N/A HIS 117.A ND1 SER 114.A OG no hydrogen 3.079 N/A ILE 118.A N SER 114.A O no hydrogen 2.971 N/A CYS 119.A N ASN 115.A O no hydrogen 2.952 N/A CYS 119.A SG TYR 290.A O no hydrogen 3.200 N/A CYS 119.A SG GLN 293.A OE1 no hydrogen 3.840 N/A TYR 120.A N ASP 116.A O no hydrogen 3.019 N/A PHE 121.A N HIS 117.A O no hydrogen 2.857 N/A LEU 122.A N ILE 118.A O no hydrogen 2.861 N/A TYR 123.A N CYS 119.A O no hydrogen 2.864 N/A TYR 123.A OH GLU 300.A OE2 no hydrogen 2.732 N/A GLN 124.A N TYR 120.A O no hydrogen 3.134 N/A GLN 124.A NE2 TYR 120.A O no hydrogen 3.513 N/A GLN 124.A NE2 CYS 153.A O no hydrogen 2.878 N/A ILE 125.A N PHE 121.A O no hydrogen 2.935 N/A LEU 126.A N LEU 122.A O no hydrogen 3.007 N/A ARG 127.A N TYR 123.A O no hydrogen 2.797 N/A ARG 127.A NE ASP 299.A O no hydrogen 3.014 N/A ARG 127.A NH1 GLU 73.A OE2 no hydrogen 3.075 N/A ARG 127.A NH1 ASN 74.A OD1 no hydrogen 2.844 N/A ARG 127.A NH2 GLU 73.A OE2 no hydrogen 3.560 N/A ARG 127.A NH2 ASP 299.A O no hydrogen 3.013 N/A ARG 127.A NH2 ASP 299.A OD1 no hydrogen 3.514 N/A GLY 128.A N GLN 124.A O no hydrogen 2.967 N/A LEU 129.A N ILE 125.A O no hydrogen 2.827 N/A LYS 130.A N LEU 126.A O no hydrogen 2.735 N/A LYS 130.A NZ GLU 283.A OE2 no hydrogen 2.971 N/A LYS 130.A NZ GLU 300.A OE1 no hydrogen 3.046 N/A TYR 131.A N ARG 127.A O no hydrogen 3.349 N/A ILE 132.A N GLY 128.A O no hydrogen 3.047 N/A HIS 133.A N LEU 129.A O no hydrogen 2.807 N/A HIS 133.A NE2 ASP 188.A OD2 no hydrogen 2.857 N/A SER 134.A N LYS 130.A O no hydrogen 2.921 N/A SER 134.A OG LYS 130.A O no hydrogen 3.415 N/A SER 134.A OG TYR 131.A O no hydrogen 2.667 N/A ALA 135.A N TYR 131.A O no hydrogen 3.215 N/A ALA 135.A N ILE 132.A O no hydrogen 3.003 N/A ASN 136.A N HIS 133.A O no hydrogen 2.882 N/A VAL 137.A N ILE 132.A O no hydrogen 3.194 N/A LEU 138.A N ARG 164.A O no hydrogen 2.806 N/A HIS 139.A N ASP 188.A OD2 no hydrogen 2.901 N/A HIS 139.A NE2 CYS 158.A O no hydrogen 3.009 N/A ARG 140.A N ASP 188.A OD1 no hydrogen 2.901 N/A ARG 140.A NH1 LEU 162.A O no hydrogen 2.650 N/A ARG 140.A NH2 TYR 183.A OH no hydrogen 3.025 N/A ASP 141.A N HIS 139.A ND1 no hydrogen 3.016 N/A LYS 143.A NZ THR 168.A OG1 no hydrogen 2.831 N/A ASN 146.A N LYS 143.A O no hydrogen 2.987 N/A ASN 146.A ND2 ASP 141.A O no hydrogen 2.838 N/A LEU 147.A N PRO 144.A O no hydrogen 3.097 N/A LEU 148.A N LYS 156.A O no hydrogen 2.723 N/A LEU 149.A N THR 102.A O no hydrogen 2.880 N/A ASN 150.A N ASP 154.A O no hydrogen 3.077 N/A ASN 150.A ND2 ASP 154.A OD2 no hydrogen 3.120 N/A THR 152.A N ASN 150.A OD1 no hydrogen 2.953 N/A THR 152.A OG1 ASN 150.A OD1 no hydrogen 3.282 N/A THR 152.A OG1 ASP 154.A OD2 no hydrogen 3.424 N/A CYS 153.A N ASN 150.A O no hydrogen 3.271 N/A CYS 153.A SG HIS 117.A NE2 no hydrogen 3.421 N/A ASP 154.A N ASN 150.A OD1 no hydrogen 2.996 N/A LEU 155.A N GLN 124.A OE1 no hydrogen 2.912 N/A LYS 156.A N LEU 148.A O no hydrogen 2.805 N/A LYS 156.A NZ GLU 73.A O no hydrogen 2.762 N/A ILE 157.A N ASN 74.A O no hydrogen 2.841 N/A CYS 158.A N ASN 146.A O no hydrogen 2.901 N/A PHE 160.A N GLU 63.A OE2 no hydrogen 3.281 N/A GLY 161.A N ASP 159.A OD1 no hydrogen 3.346 N/A ALA 163.A N PHE 160.A O no hydrogen 3.083 N/A ARG 164.A N LEU 138.A O no hydrogen 3.026 N/A ALA 166.A N ASN 136.A O no hydrogen 2.926 N/A THR 168.A OG1 ASP 141.A OD1 no hydrogen 2.853 N/A ARG 169.A NE GLY 208.A O no hydrogen 2.789 N/A ARG 169.A NH2 GLY 208.A O no hydrogen 3.543 N/A TRP 170.A N THR 168.A O no hydrogen 2.405 N/A TRP 170.A NE1 GLY 208.A O no hydrogen 2.909 N/A TYR 171.A OH GLU 198.A OE1 no hydrogen 2.580 N/A TYR 171.A OH GLU 198.A OE2 no hydrogen 3.412 N/A ARG 172.A N ARG 169.A O no hydrogen 3.161 N/A GLU 175.A N GLU 175.A OE1 no hydrogen 2.741 N/A ILE 176.A N ALA 173.A O no hydrogen 3.030 N/A LEU 178.A N PRO 174.A O no hydrogen 2.899 N/A ASN 179.A N GLU 175.A O no hydrogen 2.814 N/A ASN 179.A N ILE 176.A O no hydrogen 3.328 N/A THR 184.A OG1 SER 186.A OG no hydrogen 2.706 N/A LYS 185.A NZ HIS 133.A O no hydrogen 2.889 N/A SER 186.A N THR 184.A OG1 no hydrogen 3.394 N/A SER 186.A OG THR 184.A OG1 no hydrogen 2.706 N/A ILE 187.A N THR 184.A O no hydrogen 3.020 N/A ASP 188.A N LYS 185.A O no hydrogen 3.061 N/A TRP 190.A N SER 186.A O no hydrogen 3.087 N/A SER 191.A N ILE 187.A O no hydrogen 3.204 N/A SER 191.A OG TYR 171.A O no hydrogen 2.744 N/A SER 191.A OG ILE 187.A O no hydrogen 3.295 N/A VAL 192.A N ASP 188.A O no hydrogen 2.948 N/A GLY 193.A N ILE 189.A O no hydrogen 2.934 N/A CYS 194.A N TRP 190.A O no hydrogen 2.970 N/A CYS 194.A SG TRP 170.A O no hydrogen 3.911 N/A CYS 194.A SG TRP 190.A O no hydrogen 3.612 N/A ILE 195.A N SER 191.A O no hydrogen 2.983 N/A LEU 196.A N VAL 192.A O no hydrogen 2.825 N/A ALA 197.A N GLY 193.A O no hydrogen 2.961 N/A GLU 198.A N CYS 194.A O no hydrogen 3.000 N/A MET 199.A N ILE 195.A O no hydrogen 2.881 N/A LEU 200.A N LEU 196.A O no hydrogen 3.027 N/A SER 201.A N ALA 197.A O no hydrogen 3.226 N/A SER 201.A OG ALA 197.A O no hydrogen 3.232 N/A SER 201.A OG ARG 203.A O no hydrogen 3.157 N/A ASN 202.A N GLU 198.A O no hydrogen 2.780 N/A ASN 202.A ND2 LEU 108.A O no hydrogen 2.863 N/A ASN 202.A ND2 GLN 111.A O no hydrogen 2.886 N/A GLY 208.A N PHE 206.A O no hydrogen 2.939 N/A GLY 208.A N GLN 214.A OE1 no hydrogen 2.888 N/A LYS 209.A N ASP 213.A OD2 no hydrogen 2.786 N/A LYS 209.A NZ PRO 207.A O no hydrogen 3.499 N/A TYR 211.A OH MET 177.A O no hydrogen 2.476 N/A ASP 213.A N HIS 210.A ND1 no hydrogen 3.325 N/A GLN 214.A N HIS 210.A O no hydrogen 2.819 N/A GLN 214.A NE2 PHE 206.A O no hydrogen 2.782 N/A LEU 215.A N TYR 211.A O no hydrogen 3.176 N/A ASN 216.A N LEU 212.A O no hydrogen 2.992 N/A ASN 216.A ND2 TYR 241.A OH no hydrogen 2.987 N/A HIS 217.A N ASP 213.A O no hydrogen 2.954 N/A HIS 217.A ND1 ASP 213.A O no hydrogen 2.979 N/A ILE 218.A N GLN 214.A O no hydrogen 3.070 N/A LEU 219.A N LEU 215.A O no hydrogen 2.953 N/A GLY 220.A N ASN 216.A O no hydrogen 2.822 N/A ILE 221.A N ILE 218.A O no hydrogen 3.142 N/A LEU 222.A N ILE 218.A O no hydrogen 2.948 N/A GLY 223.A N LEU 219.A O no hydrogen 2.826 N/A SER 224.A N LYS 248.A O no hydrogen 2.950 N/A SER 226.A N ASP 229.A OD1 no hydrogen 3.110 N/A ASP 229.A N SER 226.A OG no hydrogen 2.999 N/A LEU 230.A N SER 226.A O no hydrogen 3.182 N/A ASN 231.A N GLU 228.A O no hydrogen 3.099 N/A CYS 232.A SG ASP 229.A O no hydrogen 3.433 N/A ASN 235.A N LEU 178.A O no hydrogen 2.560 N/A ALA 238.A N ASN 235.A OD1 no hydrogen 2.843 N/A ARG 239.A N ASN 235.A O no hydrogen 2.838 N/A ASN 240.A N LEU 236.A O no hydrogen 2.900 N/A TYR 241.A N LYS 237.A O no hydrogen 2.893 N/A TYR 241.A OH ASN 216.A OD1 no hydrogen 3.118 N/A LEU 242.A N ALA 238.A O no hydrogen 2.972 N/A LEU 243.A N ARG 239.A O no hydrogen 2.874 N/A SER 244.A N TYR 241.A O no hydrogen 2.944 N/A SER 244.A OG TYR 241.A O no hydrogen 2.523 N/A LEU 245.A N LEU 242.A O no hydrogen 3.254 N/A LYS 248.A N SER 224.A OG no hydrogen 2.770 N/A VAL 251.A N ILE 221.A O no hydrogen 2.829 N/A TRP 253.A NE1 ASP 269.A OD1 no hydrogen 2.901 N/A ARG 255.A N PRO 252.A O no hydrogen 3.016 N/A LEU 256.A N PRO 252.A O no hydrogen 3.436 N/A PHE 257.A N TRP 253.A O no hydrogen 2.922 N/A ALA 260.A N PHE 257.A O no hydrogen 3.224 N/A LYS 263.A N ASP 261.A OD2 no hydrogen 2.713 N/A LEU 265.A N ASP 261.A O no hydrogen 3.083 N/A ASP 266.A N SER 262.A O no hydrogen 3.022 N/A LEU 267.A N LYS 263.A O no hydrogen 3.106 N/A LEU 268.A N ALA 264.A O no hydrogen 2.927 N/A ASP 269.A N LEU 265.A O no hydrogen 2.971 N/A LYS 270.A N ASP 266.A O no hydrogen 3.325 N/A LYS 270.A NZ ASP 266.A OD1 no hydrogen 3.356 N/A LYS 270.A NZ ASP 266.A OD2 no hydrogen 3.464 N/A MET 271.A N LEU 267.A O no hydrogen 2.935 N/A LEU 272.A N LEU 268.A O no hydrogen 2.828 N/A THR 273.A OG1 ASP 269.A O no hydrogen 2.967 N/A THR 273.A OG1 LYS 270.A O no hydrogen 3.256 N/A HIS 277.A N ASN 275.A OD1 no hydrogen 2.848 N/A LYS 278.A N ASN 275.A O no hydrogen 3.017 N/A LYS 278.A NZ GLU 228.A OE1 no hydrogen 3.128 N/A ARG 279.A N PRO 276.A O no hydrogen 3.410 N/A ARG 279.A NE THR 273.A O no hydrogen 2.929 N/A ARG 279.A NH1 GLU 175.A OE1 no hydrogen 3.480 N/A ARG 279.A NH1 GLU 175.A OE2 no hydrogen 2.949 N/A ARG 279.A NH1 SER 186.A O no hydrogen 2.866 N/A ARG 279.A NH2 GLU 175.A OE1 no hydrogen 2.599 N/A ARG 279.A NH2 THR 273.A O no hydrogen 3.073 N/A ARG 279.A NH2 PHE 274.A O no hydrogen 3.076 N/A ILE 280.A N LYS 270.A O no hydrogen 3.171 N/A GLN 284.A N GLN 284.A OE1 no hydrogen 2.839 N/A ALA 285.A N GLU 281.A O no hydrogen 2.899 N/A LEU 286.A N VAL 282.A O no hydrogen 2.945 N/A ALA 287.A N GLU 283.A O no hydrogen 3.095 N/A HIS 288.A N ALA 285.A O no hydrogen 2.999 N/A HIS 288.A NE2 ASP 266.A OD2 no hydrogen 2.659 N/A TYR 290.A N HIS 288.A ND1 no hydrogen 2.930 N/A TYR 290.A OH ASN 115.A OD1 no hydrogen 3.014 N/A LEU 291.A N HIS 288.A O no hydrogen 2.951 N/A GLU 292.A N PRO 289.A O no hydrogen 3.167 N/A TYR 294.A N LEU 291.A O no hydrogen 3.018 N/A TYR 295.A N LEU 291.A O no hydrogen 2.954 N/A ASP 296.A N GLU 300.A OE2 no hydrogen 2.980 N/A SER 298.A OG ASP 296.A OD1 no hydrogen 2.777 N/A ASP 299.A N ASP 296.A O no hydrogen 2.731 N/A ALA 303.A N SER 134.A OG no hydrogen 2.880 N/A PHE 307.A N ALA 135.A O no hydrogen 2.904 N/A ASP 315.A N GLU 312.A O no hydrogen 3.088 N/A LEU 316.A N LEU 313.A O no hydrogen 3.221 N/A LYS 318.A NZ GLU 319.A OE2 no hydrogen 2.685 N/A LYS 320.A N PRO 317.A O no hydrogen 2.851 N/A LEU 321.A N PRO 317.A O no hydrogen 3.116 N/A LYS 322.A N LYS 318.A O no hydrogen 2.878 N/A LYS 322.A NZ ILE 87.A O no hydrogen 2.932 N/A LYS 322.A NZ MET 90.A O no hydrogen 2.855 N/A GLU 323.A N GLU 319.A O no hydrogen 3.255 N/A LEU 324.A N LYS 320.A O no hydrogen 2.958 N/A ILE 325.A N LEU 321.A O no hydrogen 2.869 N/A PHE 326.A N LYS 322.A O no hydrogen 2.888 N/A GLU 327.A N GLU 323.A O no hydrogen 3.034 N/A GLU 328.A N LEU 324.A O no hydrogen 2.882 N/A THR 329.A N ILE 325.A O no hydrogen 3.104 N/A THR 329.A OG1 ILE 325.A O no hydrogen 2.904 N/A THR 329.A OG1 PHE 326.A O no hydrogen 3.091 N/A ALA 330.A N GLU 327.A O no hydrogen 3.334 N/A PHE 332.A N THR 329.A O no hydrogen 3.148 N/A GLN 333.A N ALA 330.A O no hydrogen 2.932 N/A GLN 333.A NE2 ARG 83.A O no hydrogen 3.649 N/A