Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nus_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N HIS 2.A O no hydrogen 2.917 N/A SER 14.A N ASP 12.A OD2 no hydrogen 3.034 N/A SER 14.A OG ASP 12.A OD1 no hydrogen 3.456 N/A SER 14.A OG ASP 12.A OD2 no hydrogen 2.707 N/A GLN 15.A N ASP 12.A O no hydrogen 3.158 N/A GLN 15.A NE2 LYS 10.A O no hydrogen 3.153 N/A PHE 16.A N PRO 13.A O no hydrogen 3.279 N/A GLU 17.A N LYS 34.A O no hydrogen 2.861 N/A LEU 19.A N LEU 32.A O no hydrogen 2.904 N/A LEU 22.A N VAL 30.A O no hydrogen 2.856 N/A GLY 23.A N VAL 30.A O no hydrogen 3.316 N/A GLY 25.A N GLY 28.A O no hydrogen 2.868 N/A GLY 28.A N GLY 25.A O no hydrogen 3.177 N/A LYS 29.A N VAL 49.A O no hydrogen 3.054 N/A VAL 30.A N GLY 23.A O no hydrogen 2.924 N/A PHE 31.A N MET 47.A O no hydrogen 2.856 N/A LEU 32.A N LYS 20.A O no hydrogen 2.809 N/A VAL 33.A N TYR 45.A O no hydrogen 2.825 N/A LYS 34.A N GLU 17.A O no hydrogen 2.889 N/A LYS 34.A NZ GLU 17.A OE1 no hydrogen 3.512 N/A LYS 34.A NZ LYS 35.A O no hydrogen 3.346 N/A LYS 35.A N GLN 43.A O no hydrogen 2.899 N/A LYS 35.A NZ SER 37.A O no hydrogen 2.816 N/A LYS 35.A NZ ASP 40.A OD1 no hydrogen 3.018 N/A LYS 35.A NZ TYR 83.A OH no hydrogen 3.141 N/A ILE 36.A N GLN 15.A O no hydrogen 2.780 N/A ALA 41.A N GLY 38.A O no hydrogen 3.174 N/A ARG 42.A N LYS 35.A O no hydrogen 2.728 N/A GLN 43.A N ASP 40.A O no hydrogen 3.328 N/A GLN 43.A NE2 LEU 44.A O no hydrogen 3.051 N/A TYR 45.A N VAL 33.A O no hydrogen 2.991 N/A TYR 45.A OH ASP 40.A OD2 no hydrogen 2.641 N/A ALA 46.A N LEU 95.A O no hydrogen 3.006 N/A MET 47.A N PHE 31.A O no hydrogen 2.809 N/A LYS 48.A N LEU 93.A O no hydrogen 2.963 N/A LYS 48.A NZ ASP 159.A OD2 no hydrogen 2.794 N/A VAL 49.A N LYS 29.A O no hydrogen 2.785 N/A LEU 50.A N LEU 91.A O no hydrogen 2.902 N/A LYS 52.A N GLY 89.A O no hydrogen 3.016 N/A LYS 52.A NZ GLN 86.A OE1 no hydrogen 3.028 N/A LYS 52.A NZ THR 87.A O no hydrogen 2.854 N/A LYS 52.A NZ GLU 88.A O no hydrogen 3.546 N/A LYS 56.A N ASP 59.A OD2 no hydrogen 2.950 N/A ARG 60.A N LYS 56.A O no hydrogen 3.015 N/A VAL 61.A N VAL 57.A O no hydrogen 2.947 N/A ARG 62.A N ARG 58.A O no hydrogen 3.036 N/A THR 63.A N ASP 59.A O no hydrogen 3.105 N/A THR 63.A OG1 ASP 59.A O no hydrogen 2.751 N/A LYS 64.A N ARG 60.A O no hydrogen 3.213 N/A LYS 64.A NZ ASP 68.A OD1 no hydrogen 3.007 N/A MET 65.A N VAL 61.A O no hydrogen 3.109 N/A GLU 66.A N ARG 62.A O no hydrogen 3.019 N/A ARG 67.A N THR 63.A O no hydrogen 3.146 N/A ARG 67.A NH1 ASP 68.A OD1 no hydrogen 3.250 N/A ASP 68.A N LYS 64.A O no hydrogen 3.021 N/A ILE 69.A N MET 65.A O no hydrogen 2.836 N/A LEU 70.A N GLU 66.A O no hydrogen 2.882 N/A VAL 71.A N ARG 67.A O no hydrogen 3.021 N/A GLU 72.A N ILE 69.A O no hydrogen 2.970 N/A VAL 73.A N ILE 69.A O no hydrogen 3.096 N/A PHE 77.A N HIS 75.A ND1 no hydrogen 3.104 N/A VAL 79.A N LEU 157.A O no hydrogen 2.908 N/A LYS 80.A N ASP 96.A OD2 no hydrogen 3.174 N/A HIS 82.A N ILE 94.A O no hydrogen 2.745 N/A HIS 82.A NE2 ASP 96.A OD1 no hydrogen 2.707 N/A TYR 83.A N ILE 94.A O no hydrogen 3.321 N/A TYR 83.A OH ASP 40.A OD2 no hydrogen 2.675 N/A PHE 85.A N TYR 92.A O no hydrogen 3.203 N/A THR 87.A N LYS 90.A O no hydrogen 2.890 N/A THR 87.A OG1 LYS 90.A O no hydrogen 3.515 N/A LYS 90.A N THR 87.A OG1 no hydrogen 3.090 N/A LEU 91.A N LEU 50.A O no hydrogen 2.865 N/A TYR 92.A N PHE 85.A O no hydrogen 2.977 N/A LEU 93.A N LYS 48.A O no hydrogen 3.047 N/A ILE 94.A N TYR 83.A O no hydrogen 2.843 N/A LEU 95.A N ALA 46.A O no hydrogen 2.813 N/A ASP 96.A N LYS 80.A O no hydrogen 3.135 N/A GLY 100.A N LEU 149.A O no hydrogen 3.116 N/A LEU 103.A N ILE 147.A O no hydrogen 2.981 N/A THR 105.A N ASP 102.A OD2 no hydrogen 3.282 N/A THR 105.A OG1 ASP 102.A OD1 no hydrogen 2.778 N/A THR 105.A OG1 ASP 102.A OD2 no hydrogen 3.291 N/A ARG 106.A N ASP 102.A O no hydrogen 3.349 N/A ARG 106.A NE GLU 110.A OE2 no hydrogen 3.407 N/A ARG 106.A NH1 ASP 117.A OD2 no hydrogen 3.051 N/A ARG 106.A NH2 GLU 110.A OE2 no hydrogen 3.454 N/A ARG 106.A NH2 ASP 117.A OD2 no hydrogen 3.118 N/A LEU 107.A N LEU 103.A O no hydrogen 2.759 N/A SER 108.A N PHE 104.A O no hydrogen 2.928 N/A SER 108.A OG PHE 104.A O no hydrogen 3.331 N/A SER 108.A OG THR 105.A O no hydrogen 2.729 N/A LYS 109.A N THR 105.A O no hydrogen 3.373 N/A LYS 109.A N ARG 106.A O no hydrogen 3.226 N/A GLU 110.A N ARG 106.A O no hydrogen 3.085 N/A PHE 113.A N MET 209.A O no hydrogen 2.791 N/A ASP 117.A N THR 114.A OG1 no hydrogen 3.208 N/A VAL 118.A N THR 114.A O no hydrogen 3.083 N/A LYS 119.A N GLU 115.A O no hydrogen 2.787 N/A LYS 119.A NZ THR 277.A OG1 no hydrogen 2.775 N/A PHE 120.A N GLU 116.A O no hydrogen 3.191 N/A TYR 121.A N ASP 117.A O no hydrogen 2.840 N/A LEU 122.A N VAL 118.A O no hydrogen 2.833 N/A ALA 123.A N LYS 119.A O no hydrogen 3.082 N/A GLU 124.A N PHE 120.A O no hydrogen 3.316 N/A LEU 125.A N TYR 121.A O no hydrogen 3.049 N/A ALA 126.A N LEU 122.A O no hydrogen 2.759 N/A LEU 127.A N ALA 123.A O no hydrogen 3.311 N/A ALA 128.A N GLU 124.A O no hydrogen 3.156 N/A LEU 129.A N LEU 125.A O no hydrogen 2.856 N/A ASP 130.A N ALA 126.A O no hydrogen 2.947 N/A HIS 131.A N LEU 127.A O no hydrogen 3.090 N/A LEU 132.A N ALA 128.A O no hydrogen 3.172 N/A HIS 133.A N LEU 129.A O no hydrogen 2.974 N/A HIS 133.A NE2 ASP 198.A OD2 no hydrogen 2.698 N/A SER 134.A N ASP 130.A O no hydrogen 2.967 N/A SER 134.A OG HIS 131.A O no hydrogen 2.689 N/A LEU 135.A N LEU 132.A O no hydrogen 3.129 N/A GLY 136.A N HIS 133.A O no hydrogen 3.122 N/A ILE 137.A N LEU 132.A O no hydrogen 2.884 N/A ILE 138.A N SER 163.A O no hydrogen 2.850 N/A TYR 139.A N ASP 198.A OD1 no hydrogen 3.161 N/A TYR 139.A N ASP 198.A OD2 no hydrogen 3.191 N/A TYR 139.A OH THR 158.A O no hydrogen 2.680 N/A ARG 140.A N GLY 161.A O no hydrogen 2.824 N/A LYS 143.A NZ ASP 141.A OD2 no hydrogen 3.425 N/A GLU 145.A N GLU 145.A OE1 no hydrogen 2.902 N/A ASN 146.A N LYS 143.A O no hydrogen 3.079 N/A ASN 146.A ND2 ASP 141.A O no hydrogen 2.806 N/A ILE 147.A N PRO 144.A O no hydrogen 3.325 N/A LEU 148.A N LYS 156.A O no hydrogen 2.946 N/A LEU 149.A N GLY 101.A O no hydrogen 2.849 N/A ASP 150.A N HIS 154.A O no hydrogen 2.964 N/A GLY 153.A N ASP 150.A OD1 no hydrogen 3.268 N/A HIS 154.A N ASP 150.A OD1 no hydrogen 3.103 N/A HIS 154.A ND1 GLU 124.A OE2 no hydrogen 2.698 N/A ILE 155.A N GLU 124.A OE1 no hydrogen 2.980 N/A LYS 156.A N LEU 148.A O no hydrogen 2.883 N/A LYS 156.A NZ PRO 76.A O no hydrogen 2.801 N/A LEU 157.A N PHE 77.A O no hydrogen 2.791 N/A THR 158.A N ASN 146.A O no hydrogen 2.950 N/A THR 158.A OG1 TYR 139.A OH no hydrogen 3.297 N/A THR 158.A OG1 ASN 146.A O no hydrogen 2.995 N/A GLY 161.A N TYR 139.A OH no hydrogen 3.208 N/A LEU 162.A N ASP 159.A O no hydrogen 2.888 N/A SER 163.A N ILE 138.A O no hydrogen 3.042 N/A LYS 164.A NZ GLU 72.A OE1 no hydrogen 3.565 N/A GLU 165.A N GLY 136.A O no hydrogen 2.993 N/A ASP 168.A N LYS 164.A O no hydrogen 3.040 N/A HIS 169.A N GLU 165.A O no hydrogen 3.108 N/A LYS 171.A N ILE 167.A O no hydrogen 3.265 N/A LYS 172.A NZ ARG 190.A O no hydrogen 3.432 N/A TYR 174.A N LYS 171.A O no hydrogen 2.857 N/A CYS 177.A SG SER 175.A OG no hydrogen 3.666 N/A THR 179.A N ASP 141.A OD1 no hydrogen 3.147 N/A THR 179.A OG1 ASP 141.A OD1 no hydrogen 2.933 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.769 N/A TYR 182.A N THR 179.A O no hydrogen 3.132 N/A TYR 182.A OH GLU 208.A OE1 no hydrogen 2.567 N/A MET 183.A N VAL 180.A O no hydrogen 3.033 N/A GLU 186.A N GLU 186.A OE1 no hydrogen 2.922 N/A VAL 187.A N ALA 184.A O no hydrogen 2.994 N/A VAL 188.A N ALA 184.A O no hydrogen 3.116 N/A ASN 189.A N PRO 185.A O no hydrogen 2.945 N/A ARG 190.A N VAL 187.A O no hydrogen 2.937 N/A ARG 190.A NH2 LYS 172.A O no hydrogen 3.179 N/A ARG 191.A N GLU 186.A O no hydrogen 2.755 N/A HIS 193.A NE2 ASP 198.A OD1 no hydrogen 2.759 N/A SER 196.A OG PRO 255.A O no hydrogen 2.638 N/A ALA 197.A N THR 194.A O no hydrogen 2.995 N/A ASP 198.A N GLN 195.A O no hydrogen 3.149 N/A TRP 199.A N GLN 195.A O no hydrogen 3.424 N/A TRP 200.A N SER 196.A O no hydrogen 3.296 N/A SER 201.A N ALA 197.A O no hydrogen 3.259 N/A SER 201.A OG TYR 182.A O no hydrogen 2.711 N/A SER 201.A OG ALA 197.A O no hydrogen 3.268 N/A PHE 202.A N ASP 198.A O no hydrogen 2.951 N/A GLY 203.A N TRP 199.A O no hydrogen 3.291 N/A VAL 204.A N TRP 200.A O no hydrogen 3.040 N/A LEU 205.A N SER 201.A O no hydrogen 3.029 N/A MET 206.A N PHE 202.A O no hydrogen 3.056 N/A PHE 207.A N GLY 203.A O no hydrogen 2.891 N/A GLU 208.A N VAL 204.A O no hydrogen 2.937 N/A MET 209.A N LEU 205.A O no hydrogen 2.963 N/A LEU 210.A N MET 206.A O no hydrogen 3.083 N/A THR 211.A N PHE 207.A O no hydrogen 3.056 N/A THR 211.A OG1 PHE 207.A O no hydrogen 2.681 N/A GLY 212.A N GLU 208.A O no hydrogen 2.836 N/A THR 213.A N THR 211.A OG1 no hydrogen 3.139 N/A GLN 217.A NE2 GLU 181.A OE2 no hydrogen 3.162 N/A GLY 218.A N THR 224.A OG1 no hydrogen 2.944 N/A LYS 219.A N GLU 223.A OE2 no hydrogen 2.778 N/A GLU 223.A N ASP 220.A OD1 no hydrogen 2.840 N/A THR 224.A N ASP 220.A O no hydrogen 3.099 N/A THR 224.A OG1 ASP 220.A O no hydrogen 2.957 N/A MET 225.A N ARG 221.A O no hydrogen 3.127 N/A THR 226.A N LYS 222.A O no hydrogen 3.238 N/A THR 226.A OG1 GLU 223.A O no hydrogen 2.870 N/A MET 227.A N GLU 223.A O no hydrogen 3.022 N/A ILE 228.A N THR 224.A O no hydrogen 2.900 N/A LEU 229.A N MET 225.A O no hydrogen 3.140 N/A LYS 230.A N THR 226.A O no hydrogen 2.926 N/A ALA 231.A N MET 227.A O no hydrogen 2.930 N/A LEU 233.A N ALA 231.A O no hydrogen 3.151 N/A GLN 237.A NE2 MET 235.A O no hydrogen 2.728 N/A GLN 237.A NE2 GLN 244.A OE1 no hydrogen 3.018 N/A SER 240.A N GLU 115.A OE2 no hydrogen 3.045 N/A SER 240.A OG GLU 115.A OE1 no hydrogen 2.693 N/A SER 240.A OG GLU 115.A OE2 no hydrogen 2.879 N/A GLU 242.A N GLU 242.A OE1 no hydrogen 3.022 N/A ALA 243.A N SER 240.A OG no hydrogen 3.182 N/A GLN 244.A N SER 240.A O no hydrogen 3.007 N/A GLN 244.A NE2 LEU 239.A O no hydrogen 2.953 N/A SER 245.A N PRO 241.A O no hydrogen 2.851 N/A SER 245.A OG HIS 272.A NE2 no hydrogen 3.026 N/A LEU 246.A N GLU 242.A O no hydrogen 3.095 N/A LEU 247.A N ALA 243.A O no hydrogen 3.006 N/A ARG 248.A N.A GLN 244.A O no hydrogen 3.087 N/A ARG 248.A N.B GLN 244.A O no hydrogen 3.101 N/A MET 249.A N SER 245.A O no hydrogen 3.061 N/A LEU 250.A N LEU 246.A O no hydrogen 2.982 N/A PHE 251.A N LEU 247.A O no hydrogen 2.858 N/A LYS 252.A NZ ASN 257.A O no hydrogen 3.044 N/A ALA 256.A N ASN 254.A OD1 no hydrogen 3.269 N/A ASN 257.A N ASN 254.A O no hydrogen 3.071 N/A ARG 258.A N PRO 255.A O no hydrogen 3.398 N/A ARG 258.A NE LYS 252.A O no hydrogen 2.762 N/A ARG 258.A NH1 GLU 186.A OE1 no hydrogen 3.503 N/A ARG 258.A NH1 GLU 186.A OE2 no hydrogen 2.825 N/A ARG 258.A NH1 SER 196.A O no hydrogen 3.000 N/A ARG 258.A NH2 GLU 186.A OE1 no hydrogen 2.993 N/A ARG 258.A NH2 LYS 252.A O no hydrogen 2.853 N/A LEU 259.A N MET 249.A O no hydrogen 3.126 N/A GLY 260.A N GLU 268.A OE2 no hydrogen 3.175 N/A ALA 261.A N ARG 258.A O no hydrogen 3.064 N/A GLY 262.A N GLU 268.A OE2 no hydrogen 3.276 N/A GLY 265.A N GLY 262.A O no hydrogen 3.337 N/A GLU 267.A N ASP 264.A O no hydrogen 3.324 N/A GLU 268.A N GLY 265.A O no hydrogen 3.147 N/A ILE 269.A N VAL 266.A O no hydrogen 2.941 N/A LYS 270.A N VAL 266.A O no hydrogen 2.832 N/A LYS 270.A NZ GLU 267.A OE2 no hydrogen 3.476 N/A ARG 271.A N GLU 267.A O no hydrogen 2.898 N/A HIS 272.A N ILE 269.A O no hydrogen 3.098 N/A HIS 272.A NE2 SER 245.A OG no hydrogen 3.026 N/A PHE 274.A N HIS 272.A ND1 no hydrogen 2.948 N/A PHE 275.A N HIS 272.A O no hydrogen 3.160 N/A SER 276.A N SER 273.A O no hydrogen 3.284 N/A SER 276.A OG SER 273.A O no hydrogen 3.089 N/A ILE 278.A N PHE 275.A O no hydrogen 2.984 N/A LYS 282.A N ASP 279.A OD1 no hydrogen 3.425 N/A LEU 283.A N ASP 279.A O no hydrogen 3.038 N/A TYR 284.A N TRP 280.A O no hydrogen 3.268 N/A ARG 285.A N ASN 281.A O no hydrogen 3.121 N/A ARG 285.A NE GLU 287.A OE1 no hydrogen 3.326 N/A ARG 285.A NE GLU 287.A OE2 no hydrogen 3.110 N/A ARG 286.A N LEU 283.A O no hydrogen 3.070 N/A ARG 286.A NH1 ASP 150.A OD2 no hydrogen 3.535 N/A ARG 286.A NH2 ASP 150.A OD2 no hydrogen 3.002 N/A ARG 286.A NH2 GLU 152.A OE1 no hydrogen 3.044 N/A GLU 287.A N LYS 282.A O no hydrogen 2.868 N/A LYS 293.A NZ GLU 151.A O no hydrogen 3.075 N/A TYR 298.A OH ASP 300.A OD2 no hydrogen 2.680 N/A