Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3au3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A N ASP 1.A O no hydrogen 3.115 N/A ARG 6.A N LYS 2.A O no hydrogen 2.995 N/A GLU 7.A N ARG 3.A O no hydrogen 2.948 N/A ILE 8.A N GLY 4.A O no hydrogen 2.898 N/A ARG 9.A N ARG 5.A O no hydrogen 3.077 N/A VAL 10.A N ARG 6.A O no hydrogen 2.903 N/A LEU 11.A N GLU 7.A O no hydrogen 2.682 N/A HIS 12.A N ILE 8.A O no hydrogen 2.949 N/A LEU 13.A N ARG 9.A O no hydrogen 3.351 N/A LEU 14.A N VAL 10.A O no hydrogen 3.022 N/A GLU 15.A N LEU 11.A O no hydrogen 2.876 N/A GLN 16.A N HIS 12.A O no hydrogen 3.159 N/A ILE 17.A N LEU 13.A O no hydrogen 3.217 N/A ARG 18.A N LEU 14.A O no hydrogen 2.861 N/A ALA 19.A N GLU 15.A O no hydrogen 2.912 N/A TYR 20.A N GLN 16.A O no hydrogen 3.167 N/A CYS 21.A N ILE 17.A O no hydrogen 2.773 N/A CYS 21.A SG ILE 17.A O no hydrogen 3.505 N/A GLU 22.A N ARG 18.A O no hydrogen 2.848 N/A THR 23.A N ALA 19.A O no hydrogen 3.245 N/A THR 23.A OG1 ALA 19.A O no hydrogen 3.142 N/A CYS 24.A N TYR 20.A O no hydrogen 3.047 N/A CYS 24.A SG TYR 20.A O no hydrogen 3.498 N/A TRP 25.A N CYS 21.A O no hydrogen 2.783 N/A GLU 26.A N GLU 22.A O no hydrogen 3.101 N/A TRP 27.A N THR 23.A O no hydrogen 3.166 N/A TRP 27.A NE1 ASN 39.A O no hydrogen 3.041 N/A GLN 28.A N CYS 24.A O no hydrogen 2.873 N/A GLN 28.A NE2 GLU 84.A OE1 no hydrogen 3.315 N/A GLU 29.A N TRP 25.A O no hydrogen 2.710 N/A ALA 30.A N GLU 26.A O no hydrogen 2.790 N/A HIS 31.A N GLU 26.A O no hydrogen 3.319 N/A HIS 31.A N TRP 27.A O no hydrogen 3.307 N/A LYS 38.A N ASP 35.A O no hydrogen 2.904 N/A LYS 38.A NZ ASP 35.A OD2 no hydrogen 3.512 N/A ASN 39.A N GLN 36.A O no hydrogen 3.084 N/A GLU 45.A N ALA 42.A O no hydrogen 3.183 N/A HIS 46.A N PRO 43.A O no hydrogen 2.981 N/A GLN 47.A N VAL 44.A O no hydrogen 3.237 N/A GLN 47.A NE2 GLU 45.A O no hydrogen 3.324 N/A ILE 48.A N PRO 43.A O no hydrogen 3.276 N/A CYS 49.A N TYR 92.A OH no hydrogen 3.013 N/A VAL 52.A N ILE 48.A O no hydrogen 3.071 N/A CYS 53.A N CYS 49.A O no hydrogen 2.735 N/A VAL 54.A N PRO 50.A O no hydrogen 3.092 N/A LEU 55.A N ALA 51.A O no hydrogen 3.189 N/A LEU 57.A N VAL 54.A O no hydrogen 2.838 N/A SER 58.A N LEU 55.A O no hydrogen 2.896 N/A PHE 59.A N LYS 56.A O no hydrogen 3.186 N/A ASP 60.A N LEU 57.A O no hydrogen 2.869 N/A HIS 63.A ND1 ASP 60.A OD2 no hydrogen 2.558 N/A ARG 64.A N ASP 60.A O no hydrogen 3.013 N/A ARG 64.A NH1 SER 58.A O no hydrogen 2.833 N/A HIS 65.A N GLU 61.A O no hydrogen 2.981 N/A ALA 66.A N GLU 62.A O no hydrogen 3.094 N/A GLU 68.A N HIS 65.A O no hydrogen 2.998 N/A GLU 68.A N ALA 66.A O no hydrogen 3.131 N/A LEU 69.A N ALA 66.A O no hydrogen 3.207 N/A GLN 73.A NE2 GLU 77.A OE2 no hydrogen 2.932 N/A ALA 74.A N GLY 70.A O no hydrogen 3.195 N/A ILE 75.A N GLY 71.A O no hydrogen 2.979 N/A ALA 76.A N LEU 72.A O no hydrogen 2.892 N/A GLU 77.A N GLN 73.A O no hydrogen 2.883 N/A LEU 78.A N ALA 74.A O no hydrogen 3.180 N/A LEU 79.A N ILE 75.A O no hydrogen 3.015 N/A GLN 80.A N ALA 76.A O no hydrogen 2.886 N/A GLN 80.A NE2 GLU 84.A OE2 no hydrogen 2.867 N/A VAL 81.A N GLU 77.A O no hydrogen 2.877 N/A ASP 82.A N LEU 78.A O no hydrogen 3.050 N/A CYS 83.A N LEU 79.A O no hydrogen 3.112 N/A CYS 83.A SG LEU 79.A O no hydrogen 3.152 N/A GLU 84.A N GLN 80.A O no hydrogen 2.990 N/A TYR 85.A OH PRO 41.A O no hydrogen 2.382 N/A GLY 86.A N CYS 83.A O no hydrogen 2.675 N/A ASN 89.A ND2 GLU 132.A OE2 no hydrogen 3.420 N/A ASP 90.A N THR 88.A OG1 no hydrogen 3.256 N/A TYR 92.A N ASP 90.A OD1 no hydrogen 2.830 N/A SER 93.A N ASP 90.A OD1 no hydrogen 3.469 N/A SER 93.A OG ASP 82.A OD1 no hydrogen 3.199 N/A ILE 94.A N ASP 90.A O no hydrogen 2.958 N/A THR 95.A N HIS 91.A O no hydrogen 3.102 N/A THR 95.A OG1 HIS 91.A O no hydrogen 2.894 N/A LEU 96.A N TYR 92.A O no hydrogen 2.995 N/A ARG 97.A N SER 93.A O no hydrogen 3.065 N/A ARG 97.A NE ASP 82.A OD1 no hydrogen 2.950 N/A ARG 97.A NH1 GLY 86.A O no hydrogen 2.855 N/A ARG 97.A NH1 GLN 128.A OE1 no hydrogen 2.883 N/A ARG 97.A NH2 ASP 82.A OD1 no hydrogen 3.134 N/A ARG 97.A NH2 GLY 86.A O no hydrogen 2.829 N/A ARG 98.A N ILE 94.A O no hydrogen 2.899 N/A TYR 99.A N THR 95.A O no hydrogen 2.843 N/A ALA 100.A N LEU 96.A O no hydrogen 3.034 N/A GLY 101.A N ARG 97.A O no hydrogen 2.895 N/A LEU 103.A N ALA 100.A O no hydrogen 2.965 N/A THR 104.A N GLY 101.A O no hydrogen 2.874 N/A THR 104.A OG1 GLY 101.A O no hydrogen 3.048 N/A ASN 105.A ND2 SER 58.A OG no hydrogen 2.809 N/A LEU 106.A N ALA 102.A O no hydrogen 2.847 N/A THR 107.A N LEU 103.A O no hydrogen 2.927 N/A THR 107.A OG1 LEU 103.A O no hydrogen 2.701 N/A THR 107.A OG1 THR 104.A O no hydrogen 3.353 N/A PHE 108.A N THR 104.A O no hydrogen 3.117 N/A ASP 110.A N THR 107.A O no hydrogen 3.121 N/A ASN 113.A N ASP 110.A OD1 no hydrogen 2.811 N/A ASN 113.A ND2 LEU 106.A O no hydrogen 2.774 N/A LYS 114.A N ASP 110.A O no hydrogen 3.009 N/A LYS 114.A NZ ASN 146.A O no hydrogen 3.118 N/A LYS 114.A NZ TRP 149.A O no hydrogen 3.228 N/A ALA 115.A N VAL 111.A O no hydrogen 3.086 N/A THR 116.A N ALA 112.A O no hydrogen 2.898 N/A THR 116.A OG1 ALA 112.A O no hydrogen 2.877 N/A LEU 117.A N ASN 113.A O no hydrogen 2.887 N/A CYS 118.A N LYS 114.A O no hydrogen 2.998 N/A CYS 118.A SG LYS 114.A O no hydrogen 3.567 N/A SER 119.A N ALA 115.A O no hydrogen 2.967 N/A SER 119.A N THR 116.A O no hydrogen 3.151 N/A SER 119.A OG THR 116.A O no hydrogen 2.704 N/A CYS 122.A SG ALA 76.A O no hydrogen 3.470 N/A ALA 124.A N GLY 121.A O no hydrogen 3.047 N/A LEU 125.A N CYS 122.A O no hydrogen 2.773 N/A ALA 127.A N ARG 123.A O no hydrogen 3.022 N/A GLN 128.A N ALA 124.A O no hydrogen 3.181 N/A GLN 128.A N LEU 125.A O no hydrogen 2.974 N/A GLN 128.A NE2 ALA 124.A O no hydrogen 3.017 N/A LEU 129.A N VAL 126.A O no hydrogen 3.137 N/A LYS 130.A N ALA 127.A O no hydrogen 3.115 N/A SER 131.A N GLN 128.A O no hydrogen 2.990 N/A SER 133.A N SER 131.A OG no hydrogen 2.983 N/A LEU 136.A N SER 133.A O no hydrogen 3.134 N/A LEU 136.A N SER 133.A OG no hydrogen 3.169 N/A GLN 137.A N SER 133.A O no hydrogen 3.121 N/A GLN 138.A N GLU 134.A O no hydrogen 3.024 N/A VAL 139.A N ASP 135.A O no hydrogen 3.287 N/A ILE 140.A N LEU 136.A O no hydrogen 2.945 N/A ALA 141.A N GLN 137.A O no hydrogen 2.815 N/A SER 142.A N GLN 138.A O no hydrogen 3.016 N/A SER 142.A OG GLN 138.A O no hydrogen 2.820 N/A VAL 143.A N VAL 139.A O no hydrogen 3.079 N/A LEU 144.A N ILE 140.A O no hydrogen 2.899 N/A ARG 145.A N ALA 141.A O no hydrogen 2.735 N/A ASN 146.A N SER 142.A O no hydrogen 3.104 N/A ASN 146.A ND2 THR 107.A OG1 no hydrogen 3.199 N/A LEU 147.A N VAL 143.A O no hydrogen 3.043 N/A SER 148.A N LEU 144.A O no hydrogen 2.944 N/A SER 148.A OG LEU 144.A O no hydrogen 2.965 N/A SER 148.A OG ARG 145.A O no hydrogen 2.962 N/A TRP 149.A N ASN 146.A O no hydrogen 3.152 N/A SER 155.A N ASP 152.A OD1 no hydrogen 2.676 N/A SER 155.A OG ASP 152.A OD1 no hydrogen 2.988 N/A LYS 156.A N ASP 152.A O no hydrogen 3.042 N/A LYS 157.A N VAL 153.A O no hydrogen 3.188 N/A THR 158.A N ASN 154.A O no hydrogen 3.009 N/A THR 158.A OG1 CYS 118.A O no hydrogen 3.398 N/A THR 158.A OG1 ASN 154.A O no hydrogen 3.212 N/A LEU 159.A N SER 155.A O no hydrogen 2.856 N/A ARG 160.A N LYS 156.A O no hydrogen 3.135 N/A GLU 161.A N LYS 157.A O no hydrogen 2.817 N/A VAL 162.A N THR 158.A O no hydrogen 2.964 N/A GLY 163.A N ARG 160.A O no hydrogen 2.870 N/A SER 164.A N LEU 159.A O no hydrogen 3.313 N/A SER 164.A OG LEU 159.A O no hydrogen 2.670 N/A LYS 166.A NZ ASP 200.A O no hydrogen 3.206 N/A ALA 167.A N GLY 163.A O no hydrogen 3.323 N/A LEU 168.A N SER 164.A O no hydrogen 2.842 N/A CYS 170.A N ALA 167.A O no hydrogen 3.003 N/A ALA 171.A N LEU 168.A O no hydrogen 2.868 N/A GLU 173.A N CYS 170.A O no hydrogen 2.921 N/A VAL 174.A N CYS 170.A O no hydrogen 3.104 N/A LYS 175.A N GLU 134.A OE2 no hydrogen 2.680 N/A LYS 176.A N GLU 134.A OE1 no hydrogen 3.017 N/A THR 179.A OG1 GLU 134.A OE1 no hydrogen 3.079 N/A LEU 180.A N LYS 176.A O no hydrogen 3.081 N/A LYS 181.A N GLU 177.A O no hydrogen 2.962 N/A SER 182.A N SER 178.A O no hydrogen 3.489 N/A VAL 183.A N THR 179.A O no hydrogen 3.032 N/A LEU 184.A N LEU 180.A O no hydrogen 2.768 N/A SER 185.A N LYS 181.A O no hydrogen 2.854 N/A ALA 186.A N SER 182.A O no hydrogen 3.023 N/A LEU 187.A N VAL 183.A O no hydrogen 2.981 N/A TRP 188.A N LEU 184.A O no hydrogen 2.788 N/A ASN 189.A N SER 185.A O no hydrogen 3.196 N/A ASN 189.A ND2 ARG 145.A O no hydrogen 3.349 N/A ASN 189.A ND2 SER 148.A OG no hydrogen 2.915 N/A LEU 190.A N ALA 186.A O no hydrogen 2.961 N/A SER 191.A N LEU 187.A O no hydrogen 2.752 N/A SER 191.A OG LEU 187.A O no hydrogen 3.160 N/A SER 191.A OG TRP 188.A O no hydrogen 2.771 N/A ALA 192.A N ASN 189.A O no hydrogen 3.229 N/A HIS 193.A N LEU 190.A O no hydrogen 3.069 N/A CYS 194.A SG GLU 196.A OE1 no hydrogen 3.187 N/A LYS 198.A N CYS 194.A O no hydrogen 3.454 N/A LYS 198.A NZ SER 191.A O no hydrogen 2.590 N/A LYS 198.A NZ ASN 236.A O no hydrogen 3.041 N/A ALA 199.A N THR 195.A O no hydrogen 2.840 N/A ASP 200.A N GLU 196.A O no hydrogen 2.771 N/A ILE 201.A N ASN 197.A O no hydrogen 3.092 N/A CYS 202.A N LYS 198.A O no hydrogen 3.239 N/A CYS 202.A SG LYS 198.A O no hydrogen 3.367 N/A ALA 203.A N ALA 199.A O no hydrogen 2.952 N/A ALA 207.A N VAL 204.A O no hydrogen 3.057 N/A PHE 210.A N GLY 206.A O no hydrogen 2.899 N/A LEU 211.A N ALA 207.A O no hydrogen 2.791 N/A VAL 212.A N LEU 208.A O no hydrogen 2.951 N/A GLY 213.A N ALA 209.A O no hydrogen 3.022 N/A THR 214.A N PHE 210.A O no hydrogen 3.054 N/A THR 214.A N LEU 211.A O no hydrogen 2.968 N/A THR 214.A OG1 LEU 211.A O no hydrogen 2.642 N/A LEU 215.A N VAL 212.A O no hydrogen 3.077 N/A THR 216.A N GLY 213.A O no hydrogen 3.302 N/A THR 216.A OG1 GLY 213.A O no hydrogen 3.442 N/A TYR 217.A N THR 214.A O no hydrogen 3.121 N/A TYR 217.A OH GLU 177.A OE1 no hydrogen 2.871 N/A SER 219.A OG GLU 177.A OE2 no hydrogen 2.971 N/A GLN 220.A N GLU 177.A OE1 no hydrogen 3.276 N/A THR 221.A N SER 219.A OG no hydrogen 3.189 N/A ASN 222.A N SER 219.A O no hydrogen 3.122 N/A THR 223.A N SER 219.A OG no hydrogen 3.066 N/A ALA 225.A N THR 223.A OG1 no hydrogen 3.241 N/A GLU 228.A N LEU 224.A O no hydrogen 2.803 N/A SER 229.A N ALA 225.A O no hydrogen 2.976 N/A SER 229.A OG ALA 225.A O no hydrogen 2.890 N/A SER 229.A OG ILE 226.A O no hydrogen 3.313 N/A GLY 230.A N ILE 226.A O no hydrogen 2.749 N/A GLY 231.A N ILE 227.A O no hydrogen 2.821 N/A GLY 232.A N GLU 228.A O no hydrogen 2.783 N/A ILE 233.A N SER 229.A O no hydrogen 2.819 N/A LEU 234.A N GLY 230.A O no hydrogen 3.014 N/A ARG 235.A N GLY 231.A O no hydrogen 2.943 N/A ASN 236.A N GLY 232.A O no hydrogen 3.104 N/A ASN 236.A ND2 TRP 188.A O no hydrogen 3.384 N/A ASN 236.A ND2 SER 191.A OG no hydrogen 2.691 N/A VAL 237.A N ILE 233.A O no hydrogen 3.043 N/A SER 238.A OG ARG 235.A O no hydrogen 2.567 N/A LEU 240.A N VAL 237.A O no hydrogen 2.962 N/A ILE 241.A N VAL 237.A O no hydrogen 3.119 N/A ALA 242.A N SER 238.A O no hydrogen 2.950 N/A THR 243.A N LEU 240.A O no hydrogen 3.210 N/A THR 243.A OG1 LEU 240.A O no hydrogen 3.198 N/A ASN 244.A N ILE 241.A O no hydrogen 2.998 N/A ASN 244.A ND2 ASP 246.A OD1 no hydrogen 3.558 N/A ARG 248.A N ASN 244.A O no hydrogen 3.004 N/A ARG 248.A NE ALA 242.A O no hydrogen 2.648 N/A ARG 248.A NH1 LEU 282.A O no hydrogen 3.308 N/A ARG 248.A NH2 ALA 242.A O no hydrogen 2.988 N/A ARG 248.A NH2 LEU 282.A O no hydrogen 2.895 N/A GLN 249.A N GLU 245.A O no hydrogen 2.850 N/A ILE 250.A N ASP 246.A O no hydrogen 3.165 N/A LEU 251.A N HIS 247.A O no hydrogen 3.052 N/A ARG 252.A N ARG 248.A O no hydrogen 2.845 N/A ARG 252.A NH1 GLU 245.A OE2 no hydrogen 3.177 N/A ARG 252.A NH1 GLN 249.A OE1 no hydrogen 2.841 N/A ARG 252.A NH2 GLU 245.A OE2 no hydrogen 3.492 N/A GLU 253.A N GLN 249.A O no hydrogen 2.886 N/A ASN 254.A N ILE 250.A O no hydrogen 3.231 N/A ASN 254.A N LEU 251.A O no hydrogen 3.082 N/A ASN 254.A ND2 ILE 250.A O no hydrogen 2.820 N/A ASN 255.A N ARG 252.A O no hydrogen 2.919 N/A CYS 256.A N LEU 251.A O no hydrogen 3.001 N/A THR 259.A N ASN 255.A O no hydrogen 3.441 N/A THR 259.A OG1 ASN 255.A O no hydrogen 3.208 N/A LEU 260.A N CYS 256.A O no hydrogen 2.863 N/A LEU 261.A N LEU 257.A O no hydrogen 2.968 N/A GLN 262.A N GLN 258.A O no hydrogen 3.187 N/A HIS 263.A N THR 259.A O no hydrogen 2.872 N/A HIS 263.A NE2 LEU 215.A O no hydrogen 2.979 N/A LEU 264.A N LEU 261.A O no hydrogen 3.320 N/A LYS 265.A N GLN 262.A O no hydrogen 3.131 N/A LYS 265.A NZ GLN 262.A OE1 no hydrogen 3.509 N/A SER 266.A N HIS 263.A O no hydrogen 2.978 N/A SER 268.A N SER 266.A OG no hydrogen 2.834 N/A SER 268.A OG GLU 228.A OE2 no hydrogen 2.760 N/A ILE 271.A N SER 268.A OG no hydrogen 3.295 N/A VAL 272.A N SER 268.A O no hydrogen 3.065 N/A SER 273.A N LEU 269.A O no hydrogen 2.805 N/A ASN 274.A N THR 270.A O no hydrogen 2.884 N/A ALA 275.A N ILE 271.A O no hydrogen 2.881 N/A CYS 276.A N VAL 272.A O no hydrogen 2.878 N/A CYS 276.A SG VAL 272.A O no hydrogen 3.409 N/A GLY 277.A N SER 273.A O no hydrogen 3.061 N/A THR 278.A N ASN 274.A O no hydrogen 2.910 N/A THR 278.A OG1 ASN 274.A O no hydrogen 2.917 N/A LEU 279.A N ALA 275.A O no hydrogen 2.846 N/A TRP 280.A N CYS 276.A O no hydrogen 2.934 N/A ASN 281.A N GLY 277.A O no hydrogen 3.041 N/A ASN 281.A ND2 ARG 235.A O no hydrogen 3.404 N/A ASN 281.A ND2 SER 238.A OG no hydrogen 2.622 N/A LEU 282.A N THR 278.A O no hydrogen 2.893 N/A SER 283.A N LEU 279.A O no hydrogen 2.855 N/A SER 283.A OG TRP 280.A O no hydrogen 2.654 N/A SER 283.A OG SER 283.A O no hydrogen 2.589 N/A