Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nun_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 6.A NZ THR 78.A O no hydrogen 3.155 N/A LYS 7.A NZ GLU 31.A OE2 no hydrogen 3.024 N/A ARG 8.A N ASP 11.A OD2 no hydrogen 2.755 N/A ARG 8.A NH2 GLU 10.A OE2.A no hydrogen 2.736 N/A ASP 11.A N ARG 8.A O no hydrogen 2.883 N/A PHE 12.A N PRO 9.A O no hydrogen 2.996 N/A LYS 13.A N ARG 30.A O no hydrogen 2.864 N/A GLY 15.A N LEU 28.A O no hydrogen 2.750 N/A LEU 18.A N VAL 26.A O no hydrogen 2.669 N/A GLY 19.A N VAL 26.A O no hydrogen 3.304 N/A GLY 21.A N SER 24.A O no hydrogen 2.738 N/A THR 25.A N ILE 42.A O no hydrogen 3.047 N/A VAL 26.A N GLY 19.A O no hydrogen 2.765 N/A VAL 27.A N ILE 40.A O no hydrogen 2.808 N/A LEU 28.A N LYS 16.A O no hydrogen 2.854 N/A ALA 29.A N TYR 38.A O no hydrogen 2.843 N/A ARG 30.A N LYS 13.A O no hydrogen 2.889 N/A ARG 30.A NH1 SER 35.A O no hydrogen 2.864 N/A ARG 30.A NH1 SER 35.A OG.A no hydrogen 3.423 N/A GLU 31.A N ARG 36.A O no hydrogen 2.851 N/A LEU 32.A N ASP 11.A O no hydrogen 2.891 N/A THR 34.A N GLU 31.A O no hydrogen 3.389 N/A THR 34.A OG1 GLU 31.A OE1 no hydrogen 2.476 N/A SER 35.A N GLU 31.A O no hydrogen 2.837 N/A SER 35.A OG.B THR 34.A O no hydrogen 2.241 N/A ARG 36.A N THR 34.A OG1 no hydrogen 3.020 N/A TYR 38.A N ALA 29.A O no hydrogen 2.888 N/A ALA 39.A N LEU 89.A O no hydrogen 2.992 N/A ILE 40.A N VAL 27.A O no hydrogen 2.907 N/A LYS 41.A N PHE 87.A O no hydrogen 2.923 N/A LYS 41.A NZ GLU 60.A OE1 no hydrogen 2.787 N/A LYS 41.A NZ GLU 60.A OE2 no hydrogen 3.090 N/A ILE 42.A N THR 25.A O no hydrogen 2.749 N/A LEU 43.A N LEU 85.A O no hydrogen 2.948 N/A LYS 45.A N GLU 83.A O no hydrogen 2.986 N/A LYS 45.A NZ GLN 80.A OE1 no hydrogen 2.610 N/A LYS 45.A NZ ASP 81.A O no hydrogen 2.887 N/A LYS 45.A NZ ASP 82.A O no hydrogen 3.550 N/A HIS 47.A NE2 SER 22.A O no hydrogen 3.118 N/A ILE 48.A N GLU 44.A O no hydrogen 2.975 N/A ILE 49.A N LYS 45.A O no hydrogen 2.945 N/A LYS 50.A N ARG 46.A O no hydrogen 2.839 N/A LYS 50.A NZ HIS 47.A ND1 no hydrogen 3.148 N/A GLU 51.A N HIS 47.A O no hydrogen 3.131 N/A ASN 52.A N ILE 49.A O no hydrogen 3.161 N/A LYS 53.A N ILE 48.A O no hydrogen 2.824 N/A VAL 57.A N LYS 53.A O no hydrogen 3.040 N/A THR 58.A N VAL 54.A O no hydrogen 2.875 N/A THR 58.A OG1 VAL 54.A O no hydrogen 2.783 N/A ARG 59.A N PRO 55.A O no hydrogen 2.851 N/A ARG 59.A NH1 ALA 157.A O no hydrogen 3.017 N/A GLU 60.A N TYR 56.A O no hydrogen 2.987 N/A ARG 61.A N VAL 57.A O no hydrogen 3.171 N/A ASP 62.A N THR 58.A O no hydrogen 2.968 N/A VAL 63.A N ARG 59.A O no hydrogen 2.859 N/A MET 64.A N GLU 60.A O no hydrogen 2.960 N/A SER 65.A N ARG 61.A O no hydrogen 3.190 N/A SER 65.A OG ARG 61.A O no hydrogen 2.988 N/A ARG 66.A N VAL 63.A O no hydrogen 2.982 N/A ASP 68.A N TYR 125.A OH no hydrogen 2.933 N/A PHE 71.A N HIS 69.A ND1 no hydrogen 2.969 N/A PHE 72.A N HIS 69.A O no hydrogen 3.105 N/A VAL 73.A N ILE 151.A O no hydrogen 2.892 N/A LYS 74.A N SER 90.A OG no hydrogen 2.762 N/A TYR 76.A N GLY 88.A O no hydrogen 2.783 N/A PHE 79.A N TYR 86.A O no hydrogen 3.073 N/A ASP 81.A N LYS 84.A O no hydrogen 3.208 N/A LYS 84.A N ASP 81.A OD1 no hydrogen 2.866 N/A LEU 85.A N LEU 43.A O no hydrogen 2.790 N/A TYR 86.A N PHE 79.A O no hydrogen 2.756 N/A TYR 86.A OH ASP 81.A OD2 no hydrogen 2.821 N/A PHE 87.A N LYS 41.A O no hydrogen 2.882 N/A GLY 88.A N PHE 77.A O no hydrogen 2.789 N/A LEU 89.A N ALA 39.A O no hydrogen 2.800 N/A SER 90.A N LYS 74.A O no hydrogen 3.048 N/A SER 90.A OG LYS 74.A O no hydrogen 3.523 N/A ASN 94.A N LEU 143.A O no hydrogen 3.021 N/A ASN 94.A ND2 ASN 144.A O no hydrogen 2.962 N/A ASN 94.A ND2 GLU 145.A O no hydrogen 3.613 N/A GLY 95.A N ALA 92.A O no hydrogen 3.172 N/A LEU 97.A N ILE 141.A O no hydrogen 2.810 N/A LEU 98.A N PRO 138.A O no hydrogen 3.243 N/A LYS 99.A N GLU 96.A O no hydrogen 3.050 N/A LYS 99.A NZ ASN 94.A O no hydrogen 3.279 N/A LYS 99.A NZ TYR 100.A OH no hydrogen 3.442 N/A ILE 101.A N LEU 97.A O no hydrogen 3.075 N/A ARG 102.A N LEU 98.A O no hydrogen 3.079 N/A LYS 103.A N LYS 99.A O no hydrogen 2.975 N/A ILE 104.A N TYR 100.A O no hydrogen 3.074 N/A SER 106.A N ILE 104.A O no hydrogen 3.071 N/A PHE 107.A N LEU 195.A O no hydrogen 2.865 N/A CYS 111.A N ASP 108.A OD1 no hydrogen 2.915 N/A CYS 111.A SG ASP 108.A OD1 no hydrogen 3.170 N/A CYS 111.A SG LYS 277.A O no hydrogen 3.602 N/A THR 112.A N ASP 108.A O no hydrogen 3.024 N/A THR 112.A OG1 ASP 108.A O no hydrogen 2.882 N/A ARG 113.A N GLU 109.A O no hydrogen 2.937 N/A ARG 113.A NE.A PHE 261.A O no hydrogen 2.495 N/A ARG 113.A NH2.A PHE 261.A O no hydrogen 3.226 N/A PHE 114.A N THR 110.A O no hydrogen 3.026 N/A TYR 115.A N CYS 111.A O no hydrogen 3.022 N/A TYR 115.A OH MET 147.A O no hydrogen 2.580 N/A THR 116.A N THR 112.A O no hydrogen 2.876 N/A THR 116.A OG1 THR 112.A O no hydrogen 2.587 N/A ALA 117.A N ARG 113.A O no hydrogen 2.931 N/A GLU 118.A N PHE 114.A O no hydrogen 3.056 N/A ILE 119.A N TYR 115.A O no hydrogen 3.048 N/A VAL 120.A N THR 116.A O no hydrogen 2.852 N/A SER 121.A N ALA 117.A O no hydrogen 2.812 N/A ALA 122.A N GLU 118.A O no hydrogen 2.786 N/A LEU 123.A N ILE 119.A O no hydrogen 2.776 N/A GLU 124.A N VAL 120.A O no hydrogen 2.812 N/A TYR 125.A N SER 121.A O no hydrogen 3.285 N/A LEU 126.A N ALA 122.A O no hydrogen 2.974 N/A HIS 127.A N LEU 123.A O no hydrogen 2.702 N/A HIS 127.A NE2 ASP 184.A OD2 no hydrogen 2.758 N/A GLY 128.A N GLU 124.A O no hydrogen 3.000 N/A LYS 129.A N LEU 126.A O no hydrogen 3.076 N/A GLY 130.A N HIS 127.A O no hydrogen 2.897 N/A ILE 131.A N LEU 126.A O no hydrogen 3.160 N/A ILE 132.A N LYS 158.A O no hydrogen 2.851 N/A HIS 133.A N ASP 184.A OD2 no hydrogen 2.946 N/A HIS 133.A NE2 THR 152.A O no hydrogen 3.178 N/A ARG 134.A N ASP 184.A OD1 no hydrogen 2.997 N/A ARG 134.A NE THR 156.A O no hydrogen 2.747 N/A ARG 134.A NH2 THR 156.A O no hydrogen 2.904 N/A ASP 135.A N HIS 133.A ND1 no hydrogen 3.045 N/A LYS 137.A NZ GLU 139.A OE1 no hydrogen 3.299 N/A LYS 137.A NZ THR 165.A OG1 no hydrogen 2.713 N/A ASN 140.A N LYS 137.A O no hydrogen 2.919 N/A ASN 140.A ND2 ASP 135.A O no hydrogen 2.708 N/A LEU 142.A N GLN 150.A O no hydrogen 2.907 N/A LEU 143.A N GLY 95.A O no hydrogen 2.817 N/A ASN 144.A N HIS 148.A O no hydrogen 2.967 N/A MET 147.A N ASN 144.A O no hydrogen 2.873 N/A HIS 148.A N ASN 144.A OD1 no hydrogen 2.885 N/A HIS 148.A ND1 GLU 118.A OE2 no hydrogen 2.641 N/A ILE 149.A N GLU 118.A OE1 no hydrogen 2.980 N/A GLN 150.A N LEU 142.A O no hydrogen 2.789 N/A ILE 151.A N PHE 71.A O no hydrogen 2.746 N/A THR 152.A N ASN 140.A O no hydrogen 2.965 N/A PHE 154.A N GLU 60.A OE2 no hydrogen 3.241 N/A THR 156.A OG1 HIS 133.A O no hydrogen 3.438 N/A ALA 157.A N PHE 154.A O no hydrogen 3.097 N/A LYS 158.A N ILE 132.A O no hydrogen 2.836 N/A LEU 160.A N GLY 130.A O no hydrogen 2.808 N/A SER 161.A OG LEU 160.A O no hydrogen 2.526 N/A THR 165.A N ASP 135.A OD1 no hydrogen 3.078 N/A THR 165.A OG1 ASP 135.A OD1 no hydrogen 3.116 N/A TYR 168.A N THR 165.A O no hydrogen 2.843 N/A TYR 168.A OH GLN 194.A OE1 no hydrogen 2.517 N/A VAL 169.A N ALA 166.A O no hydrogen 3.323 N/A GLU 172.A N GLU 172.A OE1 no hydrogen 2.721 N/A LEU 173.A N SER 170.A O no hydrogen 3.151 N/A LEU 174.A N PRO 171.A O no hydrogen 2.872 N/A THR 175.A N PRO 171.A O no hydrogen 3.070 N/A THR 175.A OG1 PRO 171.A O no hydrogen 3.403 N/A LYS 177.A N GLU 172.A O no hydrogen 3.238 N/A CYS 180.A N SER 183.A OG no hydrogen 3.157 N/A LYS 181.A NZ HIS 127.A O no hydrogen 2.993 N/A LYS 181.A NZ GLU 248.A OE2 no hydrogen 3.444 N/A SER 182.A OG ALA 241.A O no hydrogen 2.622 N/A SER 183.A N CYS 180.A O no hydrogen 3.039 N/A SER 183.A OG GLU 172.A OE2 no hydrogen 3.098 N/A SER 183.A OG CYS 180.A O no hydrogen 3.125 N/A ASP 184.A N LYS 181.A O no hydrogen 3.092 N/A LEU 185.A N LYS 181.A O no hydrogen 3.387 N/A TRP 186.A N SER 182.A O no hydrogen 2.918 N/A ALA 187.A N SER 183.A O no hydrogen 3.097 N/A LEU 188.A N ASP 184.A O no hydrogen 2.852 N/A GLY 189.A N LEU 185.A O no hydrogen 2.956 N/A CYS 190.A N TRP 186.A O no hydrogen 3.093 N/A CYS 190.A SG GLN 167.A O no hydrogen 4.002 N/A CYS 190.A SG TRP 186.A O no hydrogen 3.625 N/A ILE 191.A N ALA 187.A O no hydrogen 2.867 N/A ILE 192.A N LEU 188.A O no hydrogen 2.930 N/A TYR 193.A N GLY 189.A O no hydrogen 3.112 N/A TYR 193.A OH ASP 220.A O no hydrogen 2.588 N/A GLN 194.A N CYS 190.A O no hydrogen 2.859 N/A LEU 195.A N ILE 191.A O no hydrogen 2.810 N/A VAL 196.A N ILE 192.A O no hydrogen 3.101 N/A ALA 197.A N TYR 193.A O no hydrogen 2.719 N/A GLY 198.A N GLN 194.A O no hydrogen 2.819 N/A ARG 203.A NH1 PRO 200.A O no hydrogen 2.834 N/A LEU 209.A N ASN 206.A OD1 no hydrogen 2.882 N/A ILE 210.A N ASN 206.A O no hydrogen 3.081 N/A PHE 211.A N GLU 207.A O no hydrogen 2.926 N/A GLN 212.A N TYR 208.A O no hydrogen 3.029 N/A LYS 213.A N LEU 209.A O no hydrogen 3.203 N/A LYS 213.A NZ ARG 203.A O no hydrogen 2.859 N/A ILE 214.A N ILE 210.A O no hydrogen 2.945 N/A ILE 215.A N PHE 211.A O no hydrogen 3.121 N/A LYS 216.A N GLN 212.A O no hydrogen 3.244 N/A LEU 217.A N ILE 214.A O no hydrogen 2.900 N/A GLU 218.A N LYS 213.A O no hydrogen 2.783 N/A LYS 228.A NZ GLU 263.A OE1 no hydrogen 3.235 N/A ARG 230.A N PHE 226.A O no hydrogen 2.790 N/A ARG 230.A NE GLU 234.A OE2 no hydrogen 3.187 N/A ARG 230.A NH2 GLU 234.A OE2 no hydrogen 3.517 N/A ASP 231.A N PRO 227.A O no hydrogen 3.020 N/A LEU 232.A N LYS 228.A O no hydrogen 3.000 N/A VAL 233.A N ALA 229.A O no hydrogen 2.874 N/A GLU 234.A N ARG 230.A O no hydrogen 2.941 N/A LYS 235.A N ASP 231.A O no hydrogen 3.242 N/A LYS 235.A N LEU 232.A O no hydrogen 3.066 N/A LEU 236.A N VAL 233.A O no hydrogen 2.951 N/A LEU 237.A N VAL 233.A O no hydrogen 2.836 N/A VAL 238.A N LEU 236.A O no hydrogen 2.957 N/A THR 242.A N ASP 240.A OD1 no hydrogen 2.842 N/A THR 242.A OG1 ASP 240.A OD1 no hydrogen 2.770 N/A THR 242.A OG1 ASP 240.A OD2 no hydrogen 3.399 N/A LYS 243.A N ASP 240.A O no hydrogen 3.067 N/A ARG 244.A NE VAL 238.A O no hydrogen 2.761 N/A ARG 244.A NH1 GLU 172.A OE1 no hydrogen 3.296 N/A ARG 244.A NH1 GLU 172.A OE2 no hydrogen 2.800 N/A ARG 244.A NH1 SER 182.A O no hydrogen 2.964 N/A ARG 244.A NH2 GLU 172.A OE1 no hydrogen 2.762 N/A ARG 244.A NH2 VAL 238.A O no hydrogen 2.991 N/A LEU 245.A N LYS 235.A O no hydrogen 2.975 N/A CYS 247.A N ARG 244.A O no hydrogen 3.130 N/A CYS 247.A SG.A ALA 241.A O no hydrogen 3.917 N/A CYS 247.A SG.A THR 242.A O no hydrogen 3.330 N/A CYS 247.A SG.A ARG 244.A O no hydrogen 3.239 N/A CYS 247.A SG.A GLU 249.A OE1 no hydrogen 3.557 N/A CYS 247.A SG.B GLU 249.A OE1 no hydrogen 3.534 N/A GLU 249.A N GLU 249.A OE1 no hydrogen 2.802 N/A MET 250.A N CYS 247.A O no hydrogen 3.033 N/A GLU 251.A N GLU 248.A O no hydrogen 2.904 N/A GLY 252.A N CYS 247.A O no hydrogen 2.885 N/A TYR 253.A OH HIS 127.A ND1 no hydrogen 2.670 N/A LYS 257.A N TYR 253.A O no hydrogen 2.750 N/A LYS 257.A NZ GLU 124.A OE1 no hydrogen 2.749 N/A ALA 258.A N GLY 254.A O no hydrogen 2.869 N/A ALA 258.A N PRO 255.A O no hydrogen 3.261 N/A HIS 259.A N LEU 256.A O no hydrogen 3.036 N/A HIS 259.A NE2 ASP 231.A OD1 no hydrogen 2.657 N/A PHE 261.A N HIS 259.A ND1 no hydrogen 2.913 N/A PHE 262.A N HIS 259.A O no hydrogen 2.824 N/A GLU 263.A N PRO 260.A O no hydrogen 3.017 N/A VAL 265.A N PHE 262.A O no hydrogen 2.797 N/A GLN 272.A N ASN 269.A O no hydrogen 2.837 N/A GLN 273.A N LEU 270.A O no hydrogen 3.008 N/A GLN 273.A NE2 THR 266.A O no hydrogen 2.824 N/A GLN 273.A NE2 ASN 269.A OD1 no hydrogen 3.011 N/A