Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4rq8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 1.A N HIS 332.A NE2 no hydrogen 3.040 N/A LEU 3.A N HIS 330.A O no hydrogen 2.768 N/A ASN 4.A ND2 HIS 43.A O no hydrogen 2.833 N/A GLY 5.A N THR 2.A O no hydrogen 3.037 N/A THR 8.A N ASN 4.A O no hydrogen 3.049 N/A THR 8.A OG1 ASN 4.A O no hydrogen 3.358 N/A THR 8.A OG1 GLY 5.A O no hydrogen 3.122 N/A ASP 9.A N GLY 5.A O no hydrogen 2.914 N/A MET 10.A N GLY 6.A O no hydrogen 3.096 N/A LEU 11.A N ILE 7.A O no hydrogen 2.948 N/A THR 12.A N THR 8.A O no hydrogen 3.034 N/A THR 12.A OG1 THR 8.A O no hydrogen 2.887 N/A GLU 13.A N ASP 9.A O no hydrogen 3.081 N/A LEU 14.A N MET 10.A O no hydrogen 3.021 N/A ALA 15.A N LEU 11.A O no hydrogen 2.911 N/A ASN 16.A N THR 12.A O no hydrogen 3.081 N/A PHE 17.A N GLU 13.A O no hydrogen 2.992 N/A GLU 18.A N LEU 14.A O no hydrogen 2.954 N/A LYS 19.A N ALA 15.A O no hydrogen 2.956 N/A ASN 20.A N ASN 16.A O no hydrogen 2.763 N/A ASN 20.A ND2 ASN 90.A OD1 no hydrogen 3.084 N/A VAL 21.A N PHE 17.A O no hydrogen 2.935 N/A SER 22.A N PHE 17.A O no hydrogen 3.069 N/A SER 22.A OG GLU 18.A OE1 no hydrogen 2.733 N/A ALA 24.A N GLU 18.A O no hydrogen 3.006 N/A TYR 28.A N ALA 24.A O no hydrogen 3.033 N/A ASN 29.A N ILE 25.A O no hydrogen 2.906 N/A ALA 30.A N HIS 26.A O no hydrogen 2.900 N/A TYR 31.A N LYS 27.A O no hydrogen 2.985 N/A TYR 31.A N TYR 28.A O no hydrogen 3.040 N/A ARG 32.A N TYR 28.A O no hydrogen 2.953 N/A ARG 32.A NH2 ASP 268.A OD2 no hydrogen 2.813 N/A LYS 33.A N ASN 29.A O no hydrogen 2.888 N/A ALA 34.A N ALA 30.A O no hydrogen 2.960 N/A ALA 35.A N TYR 31.A O no hydrogen 2.861 N/A SER 36.A N ARG 32.A O no hydrogen 2.950 N/A SER 36.A OG GLU 327.A OE1 no hydrogen 2.757 N/A SER 36.A OG GLU 327.A OE2 no hydrogen 3.258 N/A VAL 37.A N LYS 33.A O no hydrogen 3.084 N/A ILE 38.A N ALA 34.A O no hydrogen 3.171 N/A ALA 39.A N ALA 35.A O no hydrogen 3.157 N/A LYS 40.A N SER 36.A O no hydrogen 3.237 N/A LYS 40.A NZ SER 36.A OG no hydrogen 3.426 N/A LYS 40.A NZ GLU 327.A OE2 no hydrogen 3.034 N/A TYR 41.A N ILE 38.A O no hydrogen 3.106 N/A TYR 41.A OH GLU 50.A OE2 no hydrogen 2.513 N/A ILE 45.A N ASN 4.A OD1 no hydrogen 2.850 N/A LYS 46.A N GLU 50.A OE1 no hydrogen 2.970 N/A GLY 48.A N ASP 66.A OD1 no hydrogen 2.689 N/A GLU 50.A N SER 47.A OG no hydrogen 3.200 N/A ALA 51.A N SER 47.A O no hydrogen 3.203 N/A LYS 52.A N GLY 48.A O no hydrogen 2.876 N/A LYS 53.A N GLU 50.A O no hydrogen 3.207 N/A LEU 54.A N ALA 51.A O no hydrogen 2.860 N/A VAL 57.A N LEU 54.A O no hydrogen 3.237 N/A ALA 62.A N GLY 58.A O no hydrogen 3.284 N/A GLU 63.A N THR 59.A O no hydrogen 3.058 N/A LYS 64.A N LYS 60.A O no hydrogen 2.931 N/A ILE 65.A N ILE 61.A O no hydrogen 2.579 N/A ASP 66.A N ALA 62.A O no hydrogen 2.695 N/A GLU 67.A N GLU 63.A O no hydrogen 3.122 N/A PHE 68.A N LYS 64.A O no hydrogen 2.973 N/A LEU 69.A N ILE 65.A O no hydrogen 2.934 N/A ALA 70.A N ASP 66.A O no hydrogen 3.119 N/A THR 71.A N GLU 67.A O no hydrogen 2.898 N/A THR 71.A OG1 GLU 67.A O no hydrogen 2.756 N/A GLY 72.A N PHE 68.A O no hydrogen 2.706 N/A LYS 73.A N THR 71.A OG1 no hydrogen 3.280 N/A LYS 73.A NZ GLU 78.A OE1 no hydrogen 3.198 N/A ARG 75.A N GLU 67.A OE2 no hydrogen 2.798 N/A ARG 75.A NE GLU 67.A OE2 no hydrogen 3.198 N/A ARG 75.A NH2 GLU 67.A OE1 no hydrogen 3.298 N/A GLU 78.A N LEU 74.A O no hydrogen 2.945 N/A LYS 79.A N ARG 75.A O no hydrogen 3.037 N/A ILE 80.A N LYS 76.A O no hydrogen 3.106 N/A ARG 81.A N LEU 77.A O no hydrogen 2.771 N/A GLN 82.A N GLU 78.A O no hydrogen 3.135 N/A GLN 82.A N LYS 79.A O no hydrogen 3.161 N/A ASP 83.A N LYS 79.A O no hydrogen 3.118 N/A ASP 83.A N ILE 80.A O no hydrogen 3.160 N/A SER 86.A N ASP 83.A OD1 no hydrogen 3.130 N/A SER 86.A OG ASP 83.A OD2 no hydrogen 2.570 N/A SER 87.A N ASP 83.A O no hydrogen 3.001 N/A SER 87.A OG ASP 83.A O no hydrogen 2.769 N/A SER 88.A N ASP 84.A O no hydrogen 2.926 N/A SER 88.A OG ASP 84.A O no hydrogen 3.413 N/A SER 88.A OG LYS 112.A O no hydrogen 2.873 N/A ILE 89.A N THR 85.A O no hydrogen 2.962 N/A ASN 90.A N SER 86.A O no hydrogen 3.088 N/A PHE 91.A N SER 87.A O no hydrogen 2.936 N/A LEU 92.A N SER 88.A O no hydrogen 2.981 N/A THR 93.A N ILE 89.A O no hydrogen 3.371 N/A THR 93.A OG1 ASN 90.A O no hydrogen 3.010 N/A ARG 94.A N PHE 91.A O no hydrogen 3.064 N/A ARG 94.A NH2 GLU 139.A OE1 no hydrogen 2.851 N/A VAL 95.A N LEU 92.A O no hydrogen 3.056 N/A ILE 98.A N VAL 95.A O no hydrogen 2.970 N/A ALA 103.A N GLY 99.A O no hydrogen 3.094 N/A ARG 104.A N PRO 100.A O no hydrogen 3.209 N/A LYS 105.A N SER 101.A O no hydrogen 3.072 N/A LYS 105.A NZ GLU 109.A OE2 no hydrogen 3.103 N/A PHE 106.A N ALA 102.A O no hydrogen 2.876 N/A VAL 107.A N ALA 103.A O no hydrogen 2.882 N/A ASP 108.A N ARG 104.A O no hydrogen 3.136 N/A GLU 109.A N LYS 105.A O no hydrogen 3.135 N/A GLU 109.A N PHE 106.A O no hydrogen 3.136 N/A GLY 110.A N VAL 107.A O no hydrogen 2.851 N/A ILE 111.A N PHE 106.A O no hydrogen 2.792 N/A LYS 112.A N ASP 116.A OD2 no hydrogen 3.105 N/A THR 113.A OG1 GLU 115.A OE2 no hydrogen 3.545 N/A ASP 116.A N THR 113.A OG1 no hydrogen 3.011 N/A LEU 117.A N THR 113.A O no hydrogen 2.995 N/A ARG 118.A N LEU 114.A O no hydrogen 3.131 N/A LYS 119.A N GLU 115.A O no hydrogen 3.375 N/A ASN 120.A N ASP 116.A O no hydrogen 3.146 N/A ASN 120.A N LEU 117.A O no hydrogen 3.033 N/A ASN 120.A ND2 ASP 116.A O no hydrogen 3.030 N/A LYS 123.A N ASN 120.A O no hydrogen 2.846 N/A LYS 123.A NZ GLU 109.A OE1 no hydrogen 3.015 N/A LYS 123.A NZ GLU 109.A OE2 no hydrogen 3.315 N/A LEU 124.A N GLU 121.A O no hydrogen 3.073 N/A ASN 125.A N GLN 128.A OE1 no hydrogen 3.024 N/A HIS 126.A NE2 THR 219.A O no hydrogen 3.018 N/A GLN 128.A N ASN 125.A OD1 no hydrogen 2.779 N/A GLN 128.A NE2 GLY 97.A O no hydrogen 3.100 N/A ARG 129.A N ASN 125.A O no hydrogen 2.981 N/A ILE 130.A N HIS 126.A O no hydrogen 3.079 N/A GLY 131.A N HIS 127.A O no hydrogen 2.982 N/A LEU 132.A N GLN 128.A O no hydrogen 2.866 N/A LYS 133.A N ARG 129.A O no hydrogen 2.874 N/A LYS 133.A NZ TYR 134.A OH no hydrogen 3.454 N/A LYS 133.A NZ ASP 218.A OD2 no hydrogen 3.385 N/A TYR 134.A N ILE 130.A O no hydrogen 3.092 N/A TYR 134.A OH ASP 218.A OD1 no hydrogen 2.759 N/A PHE 135.A N LEU 132.A O no hydrogen 3.068 N/A PHE 138.A N TYR 134.A O no hydrogen 2.888 N/A GLU 139.A N PHE 135.A O no hydrogen 3.293 N/A GLU 139.A N GLY 136.A O no hydrogen 3.341 N/A LYS 140.A N ASP 137.A O no hydrogen 3.192 N/A ARG 141.A NE SER 179.A OG no hydrogen 2.964 N/A ARG 141.A NH2 SER 179.A O no hydrogen 3.035 N/A ILE 142.A N SER 180.A O no hydrogen 2.723 N/A ARG 144.A N GLU 178.A O no hydrogen 2.937 N/A ARG 144.A NH1 PHE 173.A O no hydrogen 2.979 N/A ARG 144.A NH1 ALA 177.A O no hydrogen 3.012 N/A ARG 144.A NH2 PHE 173.A O no hydrogen 3.258 N/A MET 147.A N PRO 143.A O no hydrogen 3.014 N/A LEU 148.A N ARG 144.A O no hydrogen 2.909 N/A GLN 149.A N GLU 145.A O no hydrogen 3.244 N/A MET 150.A N GLU 146.A O no hydrogen 2.878 N/A GLN 151.A N MET 147.A O no hydrogen 2.815 N/A ASP 152.A N LEU 148.A O no hydrogen 2.917 N/A ILE 153.A N GLN 149.A O no hydrogen 3.150 N/A VAL 154.A N MET 150.A O no hydrogen 2.986 N/A LEU 155.A N GLN 151.A O no hydrogen 2.868 N/A ASN 156.A N ASP 152.A O no hydrogen 3.014 N/A GLU 157.A N ILE 153.A O no hydrogen 3.204 N/A VAL 158.A N VAL 154.A O no hydrogen 3.078 N/A LYS 159.A N LEU 155.A O no hydrogen 3.205 N/A LYS 160.A N ASN 156.A O no hydrogen 3.112 N/A LYS 160.A NZ GLU 157.A OE2 no hydrogen 3.053 N/A VAL 161.A N GLU 157.A O no hydrogen 3.313 N/A ASP 162.A N VAL 158.A O no hydrogen 3.075 N/A GLU 164.A N ASP 162.A OD1 no hydrogen 3.174 N/A TYR 165.A N ASP 162.A O no hydrogen 2.947 N/A TYR 165.A OH LEU 202.A O no hydrogen 2.409 N/A ILE 166.A N THR 188.A O no hydrogen 3.050 N/A THR 168.A N LEU 186.A O no hydrogen 2.715 N/A CYS 170.A N ASP 184.A O no hydrogen 2.663 N/A CYS 170.A SG THR 168.A O no hydrogen 3.470 N/A GLY 171.A N PHE 264.A O no hydrogen 2.841 N/A SER 172.A OG SER 180.A OG no hydrogen 2.624 N/A ARG 174.A N CYS 170.A O no hydrogen 3.431 N/A ARG 174.A NH1 THR 265.A OG1 no hydrogen 2.645 N/A ARG 174.A NH2 GLU 308.A OE2 no hydrogen 2.870 N/A ARG 175.A N GLY 171.A O no hydrogen 3.278 N/A ARG 175.A NE SER 326.A OG no hydrogen 2.852 N/A ARG 175.A NH1 THR 265.A O no hydrogen 2.852 N/A GLY 176.A N PHE 173.A O no hydrogen 2.979 N/A ALA 177.A N SER 172.A O no hydrogen 3.212 N/A SER 180.A N ILE 142.A O no hydrogen 2.885 N/A SER 180.A OG SER 172.A OG no hydrogen 2.624 N/A MET 183.A N ARG 246.A O no hydrogen 3.105 N/A VAL 185.A N ASP 248.A O no hydrogen 2.868 N/A LEU 186.A N THR 168.A O no hydrogen 2.714 N/A LEU 187.A N ARG 250.A O no hydrogen 2.901 N/A THR 188.A N ILE 166.A O no hydrogen 2.983 N/A HIS 189.A NE2 ASP 162.A OD2 no hydrogen 3.125 N/A SER 191.A N HIS 189.A ND1 no hydrogen 3.126 N/A SER 191.A OG GLN 199.A OE1 no hydrogen 3.374 N/A PHE 192.A N HIS 189.A O no hydrogen 2.952 N/A THR 193.A N SER 196.A O no hydrogen 3.088 N/A THR 193.A OG1 SER 196.A O no hydrogen 3.557 N/A SER 194.A N ASP 255.A OD1 no hydrogen 2.915 N/A SER 194.A OG ASP 255.A OD2 no hydrogen 2.762 N/A GLU 195.A N THR 193.A OG1 no hydrogen 2.982 N/A SER 196.A N THR 193.A O no hydrogen 3.278 N/A SER 196.A N THR 193.A OG1 no hydrogen 3.150 N/A THR 197.A OG1 GLN 199.A O no hydrogen 2.816 N/A LYS 198.A N SER 191.A O no hydrogen 2.890 N/A GLN 205.A N LYS 201.A O no hydrogen 2.898 N/A VAL 207.A N LEU 203.A O no hydrogen 3.094 N/A GLU 208.A N HIS 204.A O no hydrogen 2.879 N/A GLN 209.A N GLN 205.A O no hydrogen 3.001 N/A GLN 209.A NE2 GLU 157.A OE1 no hydrogen 2.414 N/A LEU 210.A N VAL 206.A O no hydrogen 2.936 N/A GLN 211.A N VAL 207.A O no hydrogen 2.986 N/A LYS 212.A N GLU 208.A O no hydrogen 2.833 N/A VAL 213.A N GLN 209.A O no hydrogen 3.141 N/A HIS 214.A N GLN 211.A O no hydrogen 2.682 N/A PHE 215.A N LEU 210.A O no hydrogen 2.894 N/A ILE 216.A N LEU 210.A O no hydrogen 3.009 N/A THR 217.A N VAL 230.A O no hydrogen 2.892 N/A THR 217.A OG1 ASP 218.A OD1 no hydrogen 2.992 N/A ASP 218.A N VAL 230.A O no hydrogen 3.524 N/A LEU 220.A N MET 228.A O no hydrogen 2.701 N/A SER 221.A N MET 228.A O no hydrogen 3.094 N/A GLY 223.A N LYS 226.A O no hydrogen 2.970 N/A PHE 227.A N ILE 249.A O no hydrogen 2.767 N/A MET 228.A N SER 221.A O no hydrogen 2.913 N/A GLY 229.A N ILE 247.A O no hydrogen 3.072 N/A VAL 230.A N ASP 218.A O no hydrogen 2.847 N/A CYS 231.A N ARG 245.A O no hydrogen 2.790 N/A CYS 231.A SG ARG 245.A O no hydrogen 3.713 N/A GLN 232.A N PHE 215.A O no hydrogen 2.949 N/A GLN 232.A NE2 TYR 242.A O no hydrogen 2.812 N/A LYS 236.A N GLU 239.A OE2 no hydrogen 2.930 N/A HIS 244.A N ASP 137.A OD2 no hydrogen 2.962 N/A ARG 245.A N CYS 231.A O no hydrogen 2.774 N/A ARG 245.A NH1 ARG 141.A O no hydrogen 3.108 N/A ARG 245.A NH2 GLU 146.A OE1 no hydrogen 2.928 N/A ARG 246.A NH1 GLY 229.A O no hydrogen 3.073 N/A ARG 246.A NH1 ILE 247.A O no hydrogen 3.010 N/A ARG 246.A NH1 ASP 248.A OD1 no hydrogen 3.087 N/A ARG 246.A NH2 ASP 248.A OD1 no hydrogen 2.952 N/A ARG 246.A NH2 ASP 248.A OD2 no hydrogen 3.515 N/A ILE 247.A N GLY 229.A O no hydrogen 3.091 N/A ASP 248.A N MET 183.A O no hydrogen 2.911 N/A ILE 249.A N PHE 227.A O no hydrogen 2.916 N/A ARG 250.A N VAL 185.A O no hydrogen 2.948 N/A ARG 250.A NH1 GLU 287.A OE2 no hydrogen 2.870 N/A ARG 250.A NH2 GLU 287.A OE2 no hydrogen 2.934 N/A LEU 251.A N THR 225.A O no hydrogen 2.744 N/A ILE 252.A N.A LEU 187.A O no hydrogen 2.929 N/A ILE 252.A N.B LEU 187.A O no hydrogen 2.948 N/A LYS 254.A N PHE 192.A O no hydrogen 2.887 N/A GLN 256.A N PRO 253.A O no hydrogen 3.014 N/A GLY 260.A N GLN 256.A O no hydrogen 3.053 N/A VAL 261.A N TYR 257.A O no hydrogen 2.773 N/A LEU 262.A N TYR 258.A O no hydrogen 3.058 N/A TYR 263.A N CYS 259.A O no hydrogen 3.103 N/A PHE 264.A N GLY 260.A O no hydrogen 3.033 N/A THR 265.A N VAL 261.A O no hydrogen 2.959 N/A THR 265.A OG1 VAL 261.A O no hydrogen 2.581 N/A GLY 266.A N LEU 262.A O no hydrogen 3.314 N/A GLY 266.A N TYR 263.A O no hydrogen 3.252 N/A SER 267.A N ARG 325.A O no hydrogen 3.228 N/A SER 267.A OG ARG 325.A O no hydrogen 3.095 N/A ILE 269.A N ASP 268.A OD1 no hydrogen 2.559 N/A PHE 270.A N SER 267.A OG no hydrogen 3.091 N/A ASN 271.A N SER 267.A O no hydrogen 2.895 N/A ASN 271.A ND2 TYR 263.A O no hydrogen 2.861 N/A LYS 272.A N ASP 268.A O no hydrogen 2.854 N/A ASN 273.A N ILE 269.A O no hydrogen 2.854 N/A MET 274.A N PHE 270.A O no hydrogen 2.681 N/A ARG 275.A N ASN 271.A O no hydrogen 2.839 N/A ALA 276.A N LYS 272.A O no hydrogen 2.841 N/A HIS 277.A N ASN 273.A O no hydrogen 2.846 N/A HIS 277.A ND1 GLU 280.A OE2 no hydrogen 2.974 N/A HIS 277.A NE2 ILE 315.A O no hydrogen 2.629 N/A ALA 278.A N MET 274.A O no hydrogen 2.958 N/A LEU 279.A N ARG 275.A O no hydrogen 3.200 N/A GLU 280.A N ALA 276.A O no hydrogen 3.299 N/A LYS 281.A N HIS 277.A O no hydrogen 3.073 N/A GLY 282.A N LEU 279.A O no hydrogen 2.912 N/A PHE 283.A N ALA 278.A O no hydrogen 2.748 N/A THR 284.A N ARG 291.A O.A no hydrogen 2.812 N/A THR 284.A N ARG 291.A O.B no hydrogen 2.784 N/A ASN 286.A N THR 289.A O no hydrogen 2.975 N/A GLU 287.A N GLU 287.A OE1 no hydrogen 2.983 N/A TYR 288.A N ASN 286.A OD1 no hydrogen 2.976 N/A THR 289.A N ASN 286.A OD1 no hydrogen 2.807 N/A THR 289.A OG1 ASN 286.A OD1 no hydrogen 3.277 N/A ARG 291.A N.A THR 284.A O no hydrogen 2.929 N/A ARG 291.A N.B THR 284.A O no hydrogen 2.923 N/A ARG 291.A NE.A THR 289.A OG1 no hydrogen 2.962 N/A ARG 291.A NH1.A GLY 300.A O no hydrogen 3.043 N/A LEU 293.A N GLY 282.A O no hydrogen 2.828 N/A GLY 294.A N VAL 298.A O no hydrogen 2.798 N/A GLY 297.A N GLY 294.A O no hydrogen 2.819 N/A GLY 300.A N PRO 292.A O no hydrogen 2.761 N/A LEU 303.A N ILE 290.A O no hydrogen 3.029 N/A ASP 306.A N ASP 310.A OD2 no hydrogen 2.888 N/A ASP 310.A N SER 307.A O no hydrogen 3.236 N/A ASP 310.A N SER 307.A OG no hydrogen 3.155 N/A ILE 311.A N GLU 308.A O no hydrogen 3.243 N/A ASP 313.A N.A LYS 309.A O no hydrogen 2.861 N/A ASP 313.A N.B LYS 309.A O no hydrogen 2.822 N/A TYR 314.A N ASP 310.A O no hydrogen 3.046 N/A TYR 314.A OH PRO 304.A O no hydrogen 2.580 N/A ILE 315.A N PHE 312.A O no hydrogen 3.156 N/A GLN 316.A N ASP 313.A O.A no hydrogen 3.040 N/A GLN 316.A N ASP 313.A O.B no hydrogen 3.267 N/A TRP 317.A N PHE 312.A O no hydrogen 3.048 N/A ARG 320.A NE ASP 324.A O no hydrogen 3.487 N/A LYS 323.A NZ GLU 321.A OE1 no hydrogen 3.513 N/A ASP 324.A N GLU 321.A O no hydrogen 2.774 N/A ARG 325.A N PRO 322.A O no hydrogen 3.028 N/A ARG 325.A NE ARG 320.A O no hydrogen 2.913 N/A ARG 325.A NH1 GLU 308.A OE1 no hydrogen 2.771 N/A ARG 325.A NH2 GLU 308.A OE1 no hydrogen 3.039 N/A ARG 325.A NH2 ARG 320.A O no hydrogen 2.974 N/A HIS 330.A NE2 LYS 40.A O no hydrogen 2.895 N/A HIS 332.A N GLU 1.A O no hydrogen 2.910 N/A