Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8wr2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N ASP 75.A OD2 no hydrogen 2.925 N/A VAL 4.A N GLU 31.A O no hydrogen 2.954 N/A LEU 5.A N TYR 76.A O no hydrogen 2.949 N/A SER 6.A N ASP 33.A O no hydrogen 2.874 N/A SER 6.A OG GLN 8.A OE1 no hydrogen 3.045 N/A SER 6.A OG ASN 18.A OD1 no hydrogen 2.402 N/A ILE 7.A N LEU 78.A O no hydrogen 2.983 N/A GLN 8.A N VAL 35.A O no hydrogen 3.088 N/A HIS 10.A N VAL 38.A O no hydrogen 2.969 N/A ILE 12.A N PHE 40.A O no hydrogen 2.880 N/A ARG 13.A N SER 41.A O no hydrogen 2.952 N/A TYR 15.A N GLU 285.A OE1 no hydrogen 2.984 N/A GLY 17.A N ASP 230.A OD2 no hydrogen 2.769 N/A ASN 18.A N SER 9.A O no hydrogen 2.723 N/A ASN 18.A ND2 SER 6.A O no hydrogen 3.282 N/A ASN 18.A ND2 ASN 36.A OD1 no hydrogen 3.381 N/A ARG 19.A N VAL 16.A O no hydrogen 2.936 N/A ARG 19.A NE GLY 14.A O no hydrogen 3.036 N/A ALA 20.A N VAL 16.A O no hydrogen 3.351 N/A ALA 20.A N GLY 17.A O no hydrogen 2.979 N/A ALA 21.A N GLY 17.A O no hydrogen 3.048 N/A THR 22.A N ASN 18.A O no hydrogen 2.926 N/A THR 22.A OG1 ASN 18.A O no hydrogen 2.758 N/A LEU 25.A N ALA 21.A O no hydrogen 3.349 N/A GLN 26.A N THR 22.A O no hydrogen 2.829 N/A VAL 27.A N PHE 23.A O no hydrogen 2.863 N/A LEU 28.A N PRO 24.A O no hydrogen 3.044 N/A GLY 29.A N GLN 26.A O no hydrogen 2.891 N/A PHE 30.A N LEU 25.A O no hydrogen 2.900 N/A GLU 31.A N CYS 2.A O no hydrogen 2.940 N/A ASP 33.A N VAL 4.A O no hydrogen 2.699 N/A VAL 35.A N SER 6.A O no hydrogen 2.785 N/A SER 37.A N GLN 8.A O no hydrogen 2.892 N/A GLN 39.A N GLN 52.A O no hydrogen 2.949 N/A PHE 40.A N HIS 10.A O no hydrogen 3.010 N/A SER 41.A N LYS 50.A O no hydrogen 2.797 N/A SER 41.A OG ASN 42.A OD1 no hydrogen 2.907 N/A SER 41.A OG LYS 50.A O no hydrogen 3.487 N/A ASN 42.A ND2 HIS 43.A O no hydrogen 2.868 N/A ASN 42.A ND2 HIS 48.A O no hydrogen 2.968 N/A GLY 45.A N HIS 43.A ND1 no hydrogen 2.925 N/A TYR 46.A N HIS 43.A O no hydrogen 3.445 N/A TYR 46.A OH GLU 285.A OE2 no hydrogen 2.577 N/A LYS 50.A N SER 41.A OG no hydrogen 3.204 N/A GLN 52.A N GLN 39.A O no hydrogen 3.042 N/A LEU 54.A N SER 37.A O no hydrogen 2.836 N/A ASN 55.A N GLU 58.A OE1 no hydrogen 2.941 N/A GLU 58.A N ASN 55.A OD1 no hydrogen 2.868 N/A LEU 59.A N ASN 55.A O no hydrogen 2.955 N/A GLN 60.A N SER 56.A O no hydrogen 3.029 N/A GLU 61.A N ASP 57.A O no hydrogen 2.871 N/A LEU 62.A N GLU 58.A O no hydrogen 2.917 N/A TYR 63.A N LEU 59.A O no hydrogen 2.985 N/A TYR 63.A OH GLU 97.A OE1 no hydrogen 2.353 N/A GLU 64.A N GLN 60.A O no hydrogen 2.858 N/A GLY 65.A N GLU 61.A O no hydrogen 3.106 N/A LEU 66.A N LEU 62.A O no hydrogen 3.276 N/A ARG 67.A N TYR 63.A O no hydrogen 2.798 N/A ARG 67.A NE GLU 64.A OE1 no hydrogen 3.069 N/A ARG 67.A NE GLU 64.A OE2 no hydrogen 3.363 N/A ARG 67.A NH2 GLU 64.A OE1 no hydrogen 2.636 N/A LEU 68.A N GLU 64.A O no hydrogen 2.784 N/A ASN 69.A N GLY 65.A O no hydrogen 3.328 N/A ASN 69.A N LEU 66.A O no hydrogen 3.153 N/A ASN 69.A ND2 GLY 65.A O no hydrogen 3.149 N/A ASN 70.A N ARG 67.A O no hydrogen 2.786 N/A MET 71.A N LEU 66.A O no hydrogen 2.767 N/A ASN 72.A ND2 TYR 63.A OH no hydrogen 3.076 N/A LYS 73.A NZ GLN 101.A OE1 no hydrogen 3.227 N/A TYR 74.A OH ASP 33.A OD2 no hydrogen 2.574 N/A ASP 75.A N ARG 3.A O no hydrogen 2.878 N/A TYR 76.A N ARG 3.A O no hydrogen 3.096 N/A TYR 76.A OH HIS 241.A ND1 no hydrogen 2.686 N/A VAL 77.A N VAL 106.A O no hydrogen 3.046 N/A LEU 78.A N LEU 5.A O no hydrogen 2.855 N/A THR 79.A N VAL 108.A O no hydrogen 3.083 N/A THR 79.A OG1 TYR 107.A OH no hydrogen 2.744 N/A THR 82.A OG1 GLY 80.A O no hydrogen 3.142 N/A SER 86.A OG ASP 84.A OD2 no hydrogen 2.551 N/A PHE 87.A N ASP 84.A OD2 no hydrogen 3.030 N/A LEU 88.A N ASP 84.A O no hydrogen 3.000 N/A ALA 89.A N LYS 85.A O no hydrogen 2.896 N/A MET 90.A N SER 86.A O no hydrogen 2.978 N/A VAL 91.A N PHE 87.A O no hydrogen 2.957 N/A VAL 92.A N LEU 88.A O no hydrogen 3.039 N/A ASP 93.A N ALA 89.A O no hydrogen 3.033 N/A ILE 94.A N MET 90.A O no hydrogen 2.831 N/A VAL 95.A N VAL 91.A O no hydrogen 2.725 N/A GLN 96.A N VAL 92.A O no hydrogen 2.737 N/A GLU 97.A N ASP 93.A O no hydrogen 2.994 N/A LEU 98.A N ILE 94.A O no hydrogen 2.777 N/A LYS 99.A N VAL 95.A O no hydrogen 2.814 N/A LYS 99.A NZ LEU 140.A O no hydrogen 2.514 N/A LYS 99.A NZ ASP 142.A OD1 no hydrogen 3.430 N/A LYS 99.A NZ ASP 142.A OD2 no hydrogen 2.825 N/A GLN 100.A N GLN 96.A O no hydrogen 3.023 N/A GLN 101.A N GLU 97.A O no hydrogen 2.941 N/A ASN 102.A N LEU 98.A O no hydrogen 2.774 N/A ASN 102.A ND2 TYR 74.A O no hydrogen 2.881 N/A ARG 104.A N ASN 102.A OD1 no hydrogen 3.047 N/A LEU 105.A N ASN 102.A O no hydrogen 3.069 N/A VAL 106.A N ASP 75.A O no hydrogen 2.952 N/A TYR 107.A N ASP 142.A OD2 no hydrogen 2.733 N/A TYR 107.A OH THR 79.A OG1 no hydrogen 2.744 N/A VAL 108.A N VAL 77.A O no hydrogen 2.758 N/A CYS 109.A N ILE 143.A O no hydrogen 2.788 N/A CYS 109.A SG TYR 107.A OH no hydrogen 3.884 N/A ASP 110.A N THR 79.A O no hydrogen 2.971 N/A LEU 113.A N GLU 150.A OE2 no hydrogen 2.927 N/A GLY 114.A N GLU 150.A OE2 no hydrogen 3.395 N/A ASP 115.A N SER 122.A O no hydrogen 3.096 N/A LYS 116.A N ASP 115.A OD1 no hydrogen 2.684 N/A LYS 116.A NZ GLY 119.A O no hydrogen 3.257 N/A LYS 116.A NZ GLU 152.A OE1 no hydrogen 3.483 N/A TRP 117.A N GLU 120.A O no hydrogen 2.698 N/A GLU 120.A N TRP 117.A O no hydrogen 3.137 N/A SER 122.A N ASP 115.A O no hydrogen 3.034 N/A TYR 124.A N LEU 113.A O no hydrogen 2.588 N/A LEU 129.A N PRO 126.A O no hydrogen 3.108 N/A LEU 130.A N GLU 127.A O no hydrogen 2.968 N/A TYR 133.A N LEU 129.A O no hydrogen 2.961 N/A LYS 134.A N LEU 130.A O no hydrogen 2.963 N/A GLU 135.A N PRO 131.A O no hydrogen 2.885 N/A LYS 136.A N VAL 132.A O no hydrogen 2.767 N/A VAL 137.A N VAL 132.A O no hydrogen 3.012 N/A VAL 138.A N TYR 133.A O no hydrogen 2.793 N/A LEU 140.A N VAL 137.A O no hydrogen 2.912 N/A ALA 141.A N VAL 137.A O no hydrogen 2.969 N/A ALA 141.A N VAL 138.A O no hydrogen 3.037 N/A ASP 142.A N TYR 107.A O no hydrogen 2.833 N/A ILE 143.A N TYR 107.A O no hydrogen 3.169 N/A ILE 144.A N THR 179.A O no hydrogen 3.047 N/A THR 145.A N CYS 109.A O no hydrogen 3.206 N/A ASN 147.A N GLU 150.A OE1 no hydrogen 2.969 N/A ASN 147.A ND2 GLY 114.A O no hydrogen 2.805 N/A GLN 148.A N SER 184.A O no hydrogen 2.971 N/A GLN 148.A NE2 GLU 152.A OE2 no hydrogen 3.005 N/A GLU 150.A N ASN 147.A OD1 no hydrogen 2.649 N/A ALA 151.A N ASN 147.A O no hydrogen 2.872 N/A GLU 152.A N GLN 148.A O no hydrogen 2.890 N/A LEU 153.A N PHE 149.A O no hydrogen 2.990 N/A LEU 154.A N GLU 150.A O no hydrogen 2.871 N/A SER 155.A N ALA 151.A O no hydrogen 3.037 N/A SER 155.A OG ALA 151.A O no hydrogen 2.795 N/A SER 155.A OG GLU 152.A O no hydrogen 3.482 N/A GLY 156.A N GLU 152.A O no hydrogen 2.735 N/A ARG 157.A N SER 155.A OG no hydrogen 3.306 N/A ILE 159.A N GLU 152.A OE2 no hydrogen 2.883 N/A HIS 160.A N GLU 164.A OE1 no hydrogen 2.868 N/A HIS 160.A ND1 GLU 164.A OE1 no hydrogen 2.639 N/A SER 161.A OG GLU 163.A OE1 no hydrogen 3.320 N/A GLU 163.A N GLU 163.A OE1 no hydrogen 2.709 N/A GLU 164.A N SER 161.A OG no hydrogen 3.081 N/A ALA 165.A N SER 161.A O no hydrogen 2.952 N/A LEU 166.A N GLN 162.A O no hydrogen 2.894 N/A ARG 167.A N GLU 163.A O no hydrogen 2.977 N/A VAL 168.A N GLU 164.A O no hydrogen 2.911 N/A MET 169.A N ALA 165.A O no hydrogen 2.794 N/A ASP 170.A N LEU 166.A O no hydrogen 3.014 N/A MET 171.A N ARG 167.A O no hydrogen 3.081 N/A LEU 172.A N VAL 168.A O no hydrogen 2.906 N/A HIS 173.A N MET 169.A O no hydrogen 2.864 N/A HIS 173.A NE2 SER 201.A O no hydrogen 3.161 N/A SER 174.A N ASP 170.A O no hydrogen 3.030 N/A SER 174.A OG MET 171.A O no hydrogen 2.868 N/A MET 175.A N MET 171.A O no hydrogen 3.090 N/A MET 175.A N LEU 172.A O no hydrogen 2.958 N/A GLY 176.A N HIS 173.A O no hydrogen 2.939 N/A THR 179.A N ASP 142.A O no hydrogen 3.008 N/A VAL 180.A N SER 201.A O no hydrogen 2.848 N/A VAL 181.A N ILE 144.A O no hydrogen 3.044 N/A ILE 182.A N LEU 199.A O no hydrogen 2.790 N/A THR 183.A N PRO 146.A O no hydrogen 3.045 N/A SER 185.A OG ILE 197.A O no hydrogen 3.315 N/A ASP 186.A N GLN 148.A OE1 no hydrogen 2.826 N/A LEU 187.A N SER 185.A OG no hydrogen 3.275 N/A SER 189.A OG ASP 217.A OD2 no hydrogen 2.756 N/A GLN 191.A N SER 189.A OG no hydrogen 3.011 N/A GLY 192.A N SER 189.A O no hydrogen 3.274 N/A LEU 196.A N ILE 218.A O no hydrogen 2.991 N/A VAL 198.A N MET 216.A O no hydrogen 2.860 N/A LEU 199.A N ILE 182.A O no hydrogen 3.190 N/A GLY 200.A N ILE 214.A O no hydrogen 2.986 N/A SER 201.A N VAL 180.A O no hydrogen 2.804 N/A GLN 202.A N GLU 212.A O no hydrogen 2.859 N/A GLN 202.A NE2 THR 179.A OG1 no hydrogen 2.758 N/A ARG 203.A N ASP 178.A O no hydrogen 2.713 N/A ARG 203.A NE ASP 178.A OD1 no hydrogen 3.011 N/A ARG 203.A NH1 HIS 173.A O no hydrogen 3.521 N/A ARG 203.A NH2 HIS 173.A O no hydrogen 2.903 N/A ARG 203.A NH2 ASP 178.A OD1 no hydrogen 2.875 N/A ARG 204.A N VAL 210.A O no hydrogen 3.003 N/A ARG 204.A NH1 GLU 212.A OE1 no hydrogen 2.899 N/A ARG 204.A NH2 GLU 212.A OE1 no hydrogen 2.824 N/A ARG 205.A NH1 GLY 207.A O no hydrogen 3.027 N/A ASN 206.A N SER 208.A O no hydrogen 3.151 N/A SER 208.A N ASN 206.A OD1 no hydrogen 2.763 N/A SER 208.A OG ASN 206.A OD1 no hydrogen 3.089 N/A VAL 210.A N ARG 204.A O no hydrogen 2.809 N/A GLU 212.A N GLN 202.A O no hydrogen 2.926 N/A ARG 213.A NH2 ASP 170.A OD1 no hydrogen 3.140 N/A ILE 214.A N GLY 200.A O no hydrogen 2.897 N/A ARG 215.A N THR 305.A O no hydrogen 2.924 N/A MET 216.A N VAL 198.A O no hydrogen 2.831 N/A ILE 218.A N LEU 196.A O no hydrogen 2.948 N/A LYS 220.A N ASN 194.A O no hydrogen 2.944 N/A LYS 220.A NZ SER 193.A O no hydrogen 3.044 N/A LYS 220.A NZ TYR 195.A O no hydrogen 3.192 N/A LEU 231.A N GLY 227.A O no hydrogen 2.995 N/A PHE 232.A N THR 228.A O no hydrogen 2.880 N/A ALA 233.A N GLY 229.A O no hydrogen 3.066 N/A ALA 234.A N ASP 230.A O no hydrogen 3.130 N/A MET 235.A N LEU 231.A O no hydrogen 2.925 N/A LEU 236.A N PHE 232.A O no hydrogen 2.806 N/A LEU 237.A N ALA 233.A O no hydrogen 2.926 N/A ALA 238.A N ALA 234.A O no hydrogen 3.043 N/A TRP 239.A N MET 235.A O no hydrogen 2.796 N/A THR 240.A N LEU 236.A O no hydrogen 2.854 N/A THR 240.A OG1 LEU 236.A O no hydrogen 2.723 N/A THR 240.A OG1 LEU 237.A O no hydrogen 3.259 N/A HIS 241.A N LEU 237.A O no hydrogen 2.988 N/A HIS 241.A ND1 TYR 76.A OH no hydrogen 2.686 N/A LYS 242.A N ALA 238.A O no hydrogen 3.028 N/A LYS 242.A NZ LEU 28.A O no hydrogen 2.921 N/A HIS 243.A N TRP 239.A O no hydrogen 2.800 N/A ASN 246.A N HIS 243.A O no hydrogen 3.213 N/A LEU 247.A N GLU 212.A OE1 no hydrogen 2.892 N/A LYS 248.A N GLU 212.A OE2 no hydrogen 3.166 N/A LYS 248.A NZ GLU 252.A OE2 no hydrogen 2.780 N/A VAL 249.A N ASN 246.A OD1 no hydrogen 3.092 N/A ALA 250.A N ASN 246.A O no hydrogen 3.038 N/A CYS 251.A N LEU 247.A O no hydrogen 2.834 N/A CYS 251.A SG LEU 247.A O no hydrogen 3.394 N/A GLU 252.A N LYS 248.A O no hydrogen 2.924 N/A LYS 253.A N VAL 249.A O no hydrogen 2.925 N/A LYS 253.A NZ HIS 243.A NE2 no hydrogen 3.008 N/A THR 254.A N ALA 250.A O no hydrogen 3.042 N/A THR 254.A OG1 ALA 250.A O no hydrogen 2.766 N/A VAL 255.A N CYS 251.A O no hydrogen 2.908 N/A SER 256.A N GLU 252.A O no hydrogen 2.873 N/A SER 256.A OG GLU 252.A O no hydrogen 2.871 N/A THR 257.A N LYS 253.A O no hydrogen 2.918 N/A THR 257.A OG1 LYS 253.A O no hydrogen 2.884 N/A LEU 258.A N THR 254.A O no hydrogen 3.054 N/A HIS 259.A N VAL 255.A O no hydrogen 2.796 N/A HIS 260.A N SER 256.A O no hydrogen 2.936 N/A HIS 260.A NE2 GLU 299.A O no hydrogen 2.770 N/A VAL 261.A N THR 257.A O no hydrogen 3.038 N/A LEU 262.A N LEU 258.A O no hydrogen 2.838 N/A GLN 263.A N HIS 259.A O no hydrogen 2.817 N/A ARG 264.A N HIS 260.A O no hydrogen 3.044 N/A ARG 264.A NH1 SER 291.A OG no hydrogen 3.060 N/A ARG 264.A NH1 ASP 294.A OD2 no hydrogen 2.530 N/A ARG 264.A NH2 ASP 294.A OD2 no hydrogen 3.029 N/A THR 265.A N VAL 261.A O no hydrogen 2.919 N/A THR 265.A OG1 VAL 261.A O no hydrogen 2.709 N/A ILE 266.A N LEU 262.A O no hydrogen 2.878 N/A GLN 267.A N GLN 263.A O no hydrogen 3.023 N/A CYS 268.A N ARG 264.A O no hydrogen 3.053 N/A CYS 268.A SG ARG 264.A O no hydrogen 3.347 N/A ALA 269.A N THR 265.A O no hydrogen 2.843 N/A LYS 270.A N ILE 266.A O no hydrogen 2.942 N/A ALA 271.A N GLN 267.A O no hydrogen 3.197 N/A GLN 272.A N CYS 268.A O no hydrogen 2.996 N/A ALA 273.A N ALA 269.A O no hydrogen 2.873 N/A GLY 274.A N LYS 270.A O no hydrogen 2.942 N/A VAL 277.A N GLY 274.A O no hydrogen 3.196 N/A SER 280.A N GLN 283.A OE1 no hydrogen 2.877 N/A GLN 283.A N SER 280.A OG no hydrogen 3.211 N/A LEU 284.A N SER 280.A O no hydrogen 3.042 N/A LEU 284.A N PRO 281.A O no hydrogen 3.231 N/A GLU 285.A N MET 282.A O no hydrogen 3.473 N/A ARG 287.A N THR 265.A OG1 no hydrogen 2.955 N/A ARG 287.A NH1 GLN 283.A O no hydrogen 2.991 N/A ARG 287.A NH1 GLU 285.A O no hydrogen 2.750 N/A ARG 287.A NH2 GLN 283.A O no hydrogen 3.346 N/A GLN 290.A N GLN 290.A OE1 no hydrogen 2.683 N/A SER 291.A N MET 288.A O no hydrogen 2.993 N/A SER 291.A OG ARG 287.A O no hydrogen 2.688 N/A LYS 292.A N VAL 289.A O no hydrogen 3.429 N/A ILE 295.A N SER 291.A O no hydrogen 2.964 N/A GLU 296.A N LYS 292.A O no hydrogen 2.993 N/A ASP 297.A N ARG 293.A O no hydrogen 3.204 N/A VAL 301.A N SER 256.A OG no hydrogen 3.061 N/A GLN 303.A NE2 GLU 252.A OE2 no hydrogen 3.214 N/A ALA 304.A N GLU 252.A OE2 no hydrogen 2.845 N/A THR 305.A N ARG 215.A O no hydrogen 2.913 N/A THR 305.A OG1 ARG 215.A O no hydrogen 3.536 N/A LEU 307.A N ARG 213.A O no hydrogen 2.729 N/A