Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3vrp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A N TRP 1.A O no hydrogen 3.170 N/A ALA 6.A N GLU 2.A O no hydrogen 2.822 N/A LEU 7.A N GLU 3.A O no hydrogen 2.875 N/A GLY 8.A N ALA 4.A O no hydrogen 3.038 N/A ARG 9.A N ARG 5.A O no hydrogen 2.977 N/A ALA 10.A N ALA 6.A O no hydrogen 2.995 N/A VAL 11.A N LEU 7.A O no hydrogen 2.958 N/A ARG 12.A N GLY 8.A O no hydrogen 3.018 N/A MET 13.A N ARG 9.A O no hydrogen 2.961 N/A LEU 14.A N ALA 10.A O no hydrogen 2.984 N/A GLN 15.A N VAL 11.A O no hydrogen 2.942 N/A ARG 16.A N ARG 12.A O no hydrogen 2.918 N/A LEU 17.A N MET 13.A O no hydrogen 3.098 N/A GLU 18.A N LEU 14.A O no hydrogen 2.834 N/A GLU 19.A N GLN 15.A O no hydrogen 3.008 N/A GLN 20.A N ARG 16.A O no hydrogen 2.926 N/A CYS 21.A N LEU 17.A O no hydrogen 2.970 N/A CYS 21.A N GLU 18.A O no hydrogen 3.205 N/A CYS 21.A SG LEU 17.A O no hydrogen 3.379 N/A VAL 22.A N GLU 19.A O no hydrogen 3.437 N/A SER 25.A OG ASP 216.A OD2 no hydrogen 3.426 N/A ASP 31.A N SER 28.A O no hydrogen 3.013 N/A ASP 31.A N SER 28.A OG no hydrogen 3.300 N/A LEU 32.A N SER 28.A O no hydrogen 2.896 N/A LEU 33.A N LEU 29.A O no hydrogen 2.928 N/A ARG 35.A NE ASP 31.A OD1 no hydrogen 2.862 N/A ARG 35.A NE ASP 31.A OD2 no hydrogen 3.277 N/A ARG 35.A NH2 ASP 31.A OD1 no hydrogen 3.112 N/A THR 36.A N LEU 32.A O no hydrogen 2.902 N/A THR 36.A OG1 LEU 32.A O no hydrogen 2.884 N/A ALA 37.A N LEU 33.A O no hydrogen 3.014 N/A GLN 38.A N PRO 34.A O no hydrogen 2.939 N/A LEU 39.A N ARG 35.A O no hydrogen 3.103 N/A LEU 40.A N THR 36.A O no hydrogen 2.948 N/A ARG 41.A N ALA 37.A O no hydrogen 3.035 N/A GLU 42.A N GLN 38.A O no hydrogen 3.180 N/A VAL 43.A N LEU 39.A O no hydrogen 2.946 N/A ALA 44.A N LEU 40.A O no hydrogen 2.865 N/A HIS 45.A N ARG 41.A O no hydrogen 3.022 N/A SER 46.A N GLU 42.A O no hydrogen 3.029 N/A SER 46.A OG GLY 113.A O no hydrogen 3.384 N/A ARG 47.A N VAL 43.A O no hydrogen 2.988 N/A ARG 47.A NE GLU 3.A OE1 no hydrogen 3.374 N/A ARG 47.A NE GLU 3.A OE2 no hydrogen 2.684 N/A ARG 47.A NH1 SER 61.A OG no hydrogen 2.723 N/A ARG 47.A NH2 GLU 3.A OE1 no hydrogen 2.915 N/A ARG 47.A NH2 SER 61.A OG no hydrogen 3.376 N/A ALA 49.A N SER 46.A O no hydrogen 3.430 N/A GLY 59.A N ASP 63.A OD2 no hydrogen 2.752 N/A GLY 60.A N GLY 57.A O no hydrogen 3.141 N/A SER 61.A OG GLY 53.A O no hydrogen 2.760 N/A PHE 64.A N GLY 60.A O no hydrogen 2.856 N/A LEU 65.A N SER 61.A O no hydrogen 3.009 N/A LEU 66.A N GLY 62.A O no hydrogen 2.989 N/A ILE 67.A N ASP 63.A O no hydrogen 3.136 N/A TYR 68.A N PHE 64.A O no hydrogen 2.796 N/A TYR 68.A OH MET 102.A O no hydrogen 2.821 N/A LEU 69.A N LEU 65.A O no hydrogen 2.846 N/A ALA 70.A N LEU 66.A O no hydrogen 3.177 N/A ASN 71.A N ILE 67.A O no hydrogen 2.975 N/A ASN 71.A ND2 THR 172.A O no hydrogen 2.997 N/A LEU 72.A N TYR 68.A O no hydrogen 2.857 N/A GLU 73.A N LEU 69.A O no hydrogen 2.909 N/A ALA 74.A N ALA 70.A O no hydrogen 3.102 N/A LYS 75.A N ASN 71.A O no hydrogen 2.888 N/A LYS 75.A NZ ASN 71.A OD1 no hydrogen 2.800 N/A LYS 75.A NZ CYS 173.A O no hydrogen 3.034 N/A SER 76.A N LEU 72.A O no hydrogen 2.867 N/A SER 76.A OG LEU 72.A O no hydrogen 2.825 N/A ARG 77.A N GLU 73.A O no hydrogen 2.934 N/A GLN 78.A N ALA 74.A O no hydrogen 3.129 N/A VAL 79.A N LYS 75.A O no hydrogen 3.089 N/A ALA 80.A N SER 76.A O no hydrogen 2.939 N/A ALA 81.A N ARG 77.A O no hydrogen 3.063 N/A LEU 82.A N VAL 79.A O no hydrogen 3.051 N/A LEU 83.A N VAL 79.A O no hydrogen 3.140 N/A LEU 83.A N ALA 80.A O no hydrogen 3.391 N/A ARG 89.A N SER 86.A OG no hydrogen 3.367 N/A ARG 90.A N SER 86.A O no hydrogen 3.273 N/A ARG 90.A NH1 PHE 212.A O no hydrogen 2.867 N/A ARG 90.A NH1 GLU 217.A OE2 no hydrogen 2.966 N/A ARG 90.A NH2 PHE 212.A O no hydrogen 3.007 N/A GLN 91.A N ARG 87.A O no hydrogen 2.833 N/A LEU 92.A N LEU 88.A O no hydrogen 2.835 N/A ALA 93.A N ARG 89.A O no hydrogen 2.919 N/A LYS 94.A N ARG 90.A O no hydrogen 2.942 N/A LEU 95.A N GLN 91.A O no hydrogen 3.064 N/A ALA 96.A N LEU 92.A O no hydrogen 2.821 N/A ILE 97.A N ALA 93.A O no hydrogen 2.968 N/A ILE 98.A N LYS 94.A O no hydrogen 2.948 N/A PHE 99.A N LEU 95.A O no hydrogen 2.805 N/A SER 100.A N ALA 96.A O no hydrogen 2.796 N/A HIS 101.A N ILE 97.A O no hydrogen 2.921 N/A HIS 101.A ND1 LEU 171.A O no hydrogen 2.842 N/A MET 102.A N ILE 98.A O no hydrogen 2.796 N/A HIS 103.A N PHE 99.A O no hydrogen 2.878 N/A ALA 104.A N SER 100.A O no hydrogen 2.898 N/A GLU 105.A N HIS 101.A O no hydrogen 2.872 N/A LEU 106.A N MET 102.A O no hydrogen 3.087 N/A HIS 107.A N HIS 103.A O no hydrogen 2.904 N/A ALA 108.A N ALA 104.A O no hydrogen 2.843 N/A LEU 109.A N GLU 105.A O no hydrogen 3.026 N/A PHE 110.A N LEU 106.A O no hydrogen 2.776 N/A GLY 113.A N PHE 110.A O no hydrogen 2.796 N/A LYS 114.A N PRO 111.A O no hydrogen 3.065 N/A LYS 114.A NZ SER 46.A OG no hydrogen 3.007 N/A CYS 116.A N LEU 109.A O no hydrogen 2.848 N/A CYS 116.A SG ALA 108.A O no hydrogen 3.233 N/A CYS 116.A SG LEU 109.A O no hydrogen 3.747 N/A HIS 118.A N HIS 118.A ND1 no hydrogen 2.752 N/A MET 119.A N CYS 116.A O no hydrogen 2.899 N/A TYR 120.A N CYS 116.A O no hydrogen 2.857 N/A TYR 120.A OH ASP 183.A OD2 no hydrogen 2.622 N/A THR 123.A N ASP 183.A OD1 no hydrogen 2.921 N/A THR 123.A OG1 ASP 183.A OD1 no hydrogen 2.978 N/A THR 123.A OG1 ASP 183.A OD2 no hydrogen 3.446 N/A LYS 124.A NZ GLN 190.A OE1 no hydrogen 3.352 N/A HIS 128.A N LYS 124.A O no hydrogen 2.888 N/A THR 129.A N ALA 125.A O no hydrogen 3.009 N/A THR 129.A OG1 ALA 125.A O no hydrogen 3.292 N/A PHE 130.A N PRO 126.A O no hydrogen 3.029 N/A TRP 131.A N ALA 127.A O no hydrogen 2.961 N/A TRP 131.A NE1 ARG 138.A O no hydrogen 2.915 N/A ARG 132.A N HIS 128.A O no hydrogen 3.007 N/A ARG 132.A NH1 GLY 136.A O no hydrogen 2.879 N/A ARG 132.A NH2 GLY 117.A O no hydrogen 2.853 N/A ARG 132.A NH2 TYR 120.A O no hydrogen 2.938 N/A GLU 133.A N THR 129.A O no hydrogen 2.866 N/A SER 134.A N PHE 130.A O no hydrogen 2.878 N/A SER 134.A OG PHE 130.A O no hydrogen 2.816 N/A CYS 135.A N TRP 131.A O no hydrogen 2.705 N/A GLY 136.A N ARG 132.A O no hydrogen 2.957 N/A ARG 138.A N CYS 135.A O no hydrogen 3.325 N/A ARG 138.A NE CYS 135.A O no hydrogen 3.164 N/A ARG 138.A NH1 GLU 145.A OE1 no hydrogen 3.261 N/A ARG 138.A NH1 GLU 145.A OE2 no hydrogen 3.215 N/A ARG 138.A NH2 GLU 145.A OE2 no hydrogen 3.201 N/A CYS 139.A N GLY 59.A O no hydrogen 2.761 N/A CYS 139.A SG GLY 59.A O no hydrogen 3.592 N/A CYS 139.A SG TYR 115.A OH no hydrogen 3.295 N/A LEU 141.A N VAL 177.A O no hydrogen 2.983 N/A TRP 143.A N GLY 175.A O no hydrogen 2.929 N/A TRP 143.A NE1 GLU 147.A OE1 no hydrogen 2.790 N/A PHE 146.A N PRO 142.A O no hydrogen 2.969 N/A GLU 147.A N TRP 143.A O no hydrogen 2.751 N/A SER 148.A N ALA 144.A O no hydrogen 3.139 N/A LEU 149.A N GLU 145.A O no hydrogen 2.906 N/A LEU 150.A N PHE 146.A O no hydrogen 2.750 N/A GLY 151.A N GLU 147.A O no hydrogen 2.989 N/A THR 152.A N LEU 149.A O no hydrogen 3.068 N/A THR 152.A OG1 LEU 149.A O no hydrogen 2.790 N/A CYS 153.A N LEU 150.A O no hydrogen 3.014 N/A HIS 154.A N LEU 150.A O no hydrogen 2.782 N/A ALA 162.A N GLU 157.A O no hydrogen 3.101 N/A LEU 163.A N GLY 159.A O no hydrogen 2.919 N/A ALA 164.A N CYS 160.A O no hydrogen 2.900 N/A LEU 165.A N THR 161.A O no hydrogen 2.910 N/A ARG 166.A N ALA 162.A O no hydrogen 2.901 N/A THR 167.A N LEU 163.A O no hydrogen 2.952 N/A THR 167.A OG1 LEU 163.A O no hydrogen 3.077 N/A THR 168.A N ALA 164.A O no hydrogen 2.979 N/A THR 168.A OG1 ALA 164.A O no hydrogen 3.047 N/A ILE 169.A N LEU 165.A O no hydrogen 2.866 N/A ASP 170.A N ARG 166.A O no hydrogen 2.919 N/A LEU 171.A N ILE 169.A O no hydrogen 2.890 N/A THR 172.A N GLU 181.A OE2 no hydrogen 3.051 N/A THR 172.A OG1 SER 174.A OG no hydrogen 3.274 N/A THR 172.A OG1 GLU 181.A OE2 no hydrogen 3.265 N/A CYS 173.A N ASP 170.A O no hydrogen 3.075 N/A CYS 173.A SG ASP 170.A O no hydrogen 3.848 N/A SER 174.A N ASP 170.A OD1 no hydrogen 3.097 N/A SER 174.A OG THR 172.A OG1 no hydrogen 3.274 N/A GLY 175.A N ASP 170.A OD2 no hydrogen 2.747 N/A HIS 176.A N SER 174.A OG no hydrogen 3.101 N/A HIS 176.A ND1 SER 174.A O no hydrogen 3.053 N/A VAL 177.A N LEU 141.A O no hydrogen 2.818 N/A SER 178.A N GLU 181.A OE1 no hydrogen 2.855 N/A SER 178.A OG GLU 105.A OE2 no hydrogen 2.586 N/A ILE 179.A N CYS 139.A O no hydrogen 2.761 N/A GLU 181.A N SER 178.A OG no hydrogen 3.061 N/A PHE 182.A N SER 178.A O no hydrogen 2.933 N/A ASP 183.A N ILE 179.A O no hydrogen 2.955 N/A VAL 184.A N PHE 180.A O no hydrogen 2.959 N/A PHE 185.A N GLU 181.A O no hydrogen 2.964 N/A THR 186.A N PHE 182.A O no hydrogen 2.973 N/A THR 186.A OG1 PHE 182.A O no hydrogen 2.902 N/A THR 186.A OG1 ASP 183.A O no hydrogen 3.222 N/A ARG 187.A N ASP 183.A O no hydrogen 3.037 N/A LEU 188.A N VAL 184.A O no hydrogen 2.977 N/A PHE 189.A N PHE 185.A O no hydrogen 2.960 N/A GLN 190.A NE2 ARG 187.A O no hydrogen 2.922 N/A GLN 190.A NE2 ASN 262.A OD1 no hydrogen 3.037 N/A THR 194.A N PRO 191.A O no hydrogen 3.224 N/A THR 194.A OG1 ASN 198.A OD1 no hydrogen 2.821 N/A LEU 195.A N TRP 192.A O no hydrogen 2.974 N/A ASN 198.A N THR 194.A O no hydrogen 2.871 N/A ASN 198.A ND2 PHE 189.A O no hydrogen 2.838 N/A ASN 198.A ND2 PRO 191.A O no hydrogen 2.910 N/A TRP 199.A N LEU 195.A O no hydrogen 3.034 N/A TRP 199.A NE1 THR 168.A OG1 no hydrogen 3.058 N/A GLN 200.A N LEU 196.A O no hydrogen 2.812 N/A LEU 201.A N LYS 197.A O no hydrogen 2.890 N/A LEU 202.A N ASN 198.A O no hydrogen 2.915 N/A ALA 203.A N TRP 199.A O no hydrogen 2.710 N/A VAL 204.A N GLN 200.A O no hydrogen 3.272 N/A ASN 205.A N GLN 200.A O no hydrogen 2.948 N/A GLY 208.A N HIS 206.A ND1 no hydrogen 2.979 N/A TYR 209.A N HIS 206.A O no hydrogen 3.322 N/A MET 210.A N PHE 234.A O no hydrogen 2.926 N/A THR 214.A N GLU 217.A OE1 no hydrogen 2.843 N/A THR 214.A OG1 GLU 217.A OE1 no hydrogen 3.406 N/A GLU 217.A N THR 214.A OG1 no hydrogen 3.153 N/A VAL 218.A N.A THR 214.A O no hydrogen 3.066 N/A VAL 218.A N.B THR 214.A O no hydrogen 3.036 N/A GLN 219.A N TYR 215.A O no hydrogen 2.996 N/A GLN 219.A NE2 ILE 255.A O no hydrogen 3.583 N/A GLU 220.A N ASP 216.A O no hydrogen 2.990 N/A ARG 221.A N GLU 217.A O no hydrogen 2.899 N/A ARG 221.A NE ASP 282.A OD1 no hydrogen 3.155 N/A ARG 221.A NH2 ASP 282.A OD2 no hydrogen 2.754 N/A LEU 222.A N VAL 218.A O.A no hydrogen 3.118 N/A LEU 222.A N VAL 218.A O.B no hydrogen 3.061 N/A GLN 223.A N GLU 220.A O no hydrogen 3.173 N/A ALA 224.A N ARG 221.A O no hydrogen 3.257 N/A CYS 225.A N LEU 222.A O no hydrogen 2.905 N/A CYS 225.A SG ASP 282.A O no hydrogen 3.833 N/A ARG 226.A N GLN 223.A O no hydrogen 3.083 N/A LYS 228.A N CYS 225.A O no hydrogen 2.838 N/A LYS 228.A NZ GLY 283.A O no hydrogen 2.594 N/A GLY 230.A N VAL 249.A O no hydrogen 2.912 N/A SER 231.A N LYS 228.A O no hydrogen 3.023 N/A SER 231.A OG LYS 228.A O no hydrogen 2.706 N/A TYR 232.A N TYR 280.A O no hydrogen 3.042 N/A TYR 232.A OH ASN 287.A OD1 no hydrogen 2.658 N/A ILE 233.A N GLY 247.A O no hydrogen 2.853 N/A PHE 234.A N GLY 208.A O no hydrogen 2.788 N/A ARG 235.A N ALA 245.A O no hydrogen 3.080 N/A ARG 235.A NH1 PRO 236.A O no hydrogen 3.126 N/A ARG 235.A NH2 GLN 257.A OE1 no hydrogen 2.906 N/A SER 237.A N GLN 243.A O no hydrogen 2.841 N/A CYS 238.A SG LEU 213.A O no hydrogen 3.749 N/A THR 239.A N SER 237.A OG no hydrogen 3.239 N/A ARG 240.A N SER 237.A OG no hydrogen 2.833 N/A GLN 243.A N ARG 240.A O no hydrogen 3.043 N/A TRP 244.A NE1 LEU 188.A O no hydrogen 2.844 N/A ALA 245.A N ARG 235.A O no hydrogen 2.845 N/A ILE 246.A N THR 258.A O no hydrogen 2.797 N/A GLY 247.A N ILE 233.A O no hydrogen 2.854 N/A TYR 248.A N LEU 256.A O no hydrogen 2.806 N/A VAL 249.A N SER 231.A O no hydrogen 2.862 N/A SER 250.A N SER 254.A O no hydrogen 2.883 N/A SER 250.A OG SER 254.A O no hydrogen 3.437 N/A GLY 253.A N SER 250.A O no hydrogen 2.983 N/A SER 254.A N ASP 252.A OD2 no hydrogen 3.011 N/A SER 254.A OG ASP 252.A OD2 no hydrogen 2.683 N/A LEU 256.A N TYR 248.A O no hydrogen 2.997 N/A GLN 257.A NE2 TYR 215.A O no hydrogen 3.032 N/A THR 258.A N ILE 246.A O no hydrogen 2.846 N/A LYS 263.A NZ GLN 267.A OE1 no hydrogen 3.290 N/A GLN 267.A N PRO 264.A O no hydrogen 3.052 N/A VAL 268.A N PRO 264.A O no hydrogen 3.261 N/A LEU 269.A N LEU 265.A O no hydrogen 2.912 N/A LEU 270.A N SER 266.A O no hydrogen 2.898 N/A GLU 271.A N GLN 267.A O no hydrogen 2.974 N/A GLY 272.A N VAL 268.A O no hydrogen 2.988 N/A GLN 273.A N LEU 269.A O no hydrogen 2.921 N/A LYS 274.A N LEU 270.A O no hydrogen 3.120 N/A ASP 275.A N GLU 271.A O no hydrogen 2.961 N/A GLY 276.A N GLN 273.A O no hydrogen 3.150 N/A PHE 277.A N GLY 272.A O no hydrogen 2.781 N/A TYR 278.A N GLY 272.A O no hydrogen 3.175 N/A LEU 279.A N GLY 230.A O no hydrogen 2.800 N/A TYR 280.A N GLY 230.A O no hydrogen 2.983 N/A ASP 282.A N TYR 232.A O no hydrogen 2.710 N/A GLY 283.A N TYR 280.A O no hydrogen 2.943 N/A LYS 284.A N PRO 281.A O no hydrogen 2.812 N/A ASN 287.A ND2 TYR 278.A O no hydrogen 3.428 N/A THR 291.A N ASP 289.A OD2 no hydrogen 2.926 N/A THR 291.A OG1 ASP 289.A OD1 no hydrogen 3.249 N/A THR 291.A OG1 ASP 289.A OD2 no hydrogen 2.638 N/A