Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pvg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N PHE 1.A O no hydrogen 3.236 N/A GLN 5.A N PHE 1.A O no hydrogen 3.125 N/A GLN 6.A N GLU 2.A O no hydrogen 3.203 N/A CYS 9.A N GLN 6.A O no hydrogen 2.515 N/A SER 14.A OG ASP 36.A OD2 no hydrogen 3.184 N/A LYS 16.A N ASP 36.A OD2 no hydrogen 2.915 N/A GLU 17.A N ASP 36.A OD1 no hydrogen 3.129 N/A ARG 20.A N GLU 17.A O no hydrogen 2.862 N/A ARG 20.A NH1 GLU 17.A OE1 no hydrogen 3.293 N/A GLU 22.A N GLU 22.A OE1 no hydrogen 2.480 N/A ASN 23.A N ARG 20.A O no hydrogen 2.899 N/A ASN 23.A ND2 GLU 17.A O no hydrogen 3.006 N/A LYS 24.A N GLN 21.A O no hydrogen 2.873 N/A LYS 26.A N ASN 23.A O no hydrogen 3.261 N/A LYS 26.A NZ ASN 23.A OD1 no hydrogen 3.421 N/A LYS 26.A NZ VAL 51.A O no hydrogen 2.525 N/A ASN 27.A ND2 GLY 18.A O no hydrogen 3.327 N/A ARG 28.A N GLN 70.A OE1 no hydrogen 2.710 N/A ARG 28.A NH1 GLY 71.A O no hydrogen 2.692 N/A ARG 28.A NH2 GLY 71.A O no hydrogen 3.222 N/A ARG 28.A NH2 CYS 72.A O no hydrogen 2.735 N/A ILE 32.A N TYR 29.A O no hydrogen 3.107 N/A ASP 36.A N SER 14.A O no hydrogen 2.768 N/A THR 38.A N PHE 35.A O no hydrogen 2.985 N/A THR 38.A OG1 PHE 35.A O no hydrogen 3.337 N/A THR 38.A OG1 GLN 239.A O no hydrogen 2.608 N/A ARG 39.A N PHE 35.A O no hydrogen 2.969 N/A ARG 39.A NH1 ASP 53.A OD2 no hydrogen 2.582 N/A VAL 40.A N ALA 57.A O no hydrogen 3.015 N/A LEU 42.A N ASP 53.A O no hydrogen 2.709 N/A HIS 43.A N GLN 86.A OE1 no hydrogen 2.677 N/A ASN 48.A N ASP 46.A OD1 no hydrogen 3.008 N/A ASN 48.A ND2 ASP 46.A OD1 no hydrogen 2.598 N/A GLU 49.A N ASP 46.A O no hydrogen 2.925 N/A TYR 54.A OH ASN 27.A OD1 no hydrogen 2.314 N/A ASN 56.A ND2 ASN 27.A OD1 no hydrogen 2.827 N/A ASN 56.A ND2 ILE 32.A O no hydrogen 3.222 N/A ALA 57.A N ILE 55.A O no hydrogen 2.849 N/A ASN 58.A N ALA 68.A O no hydrogen 2.766 N/A ASN 58.A ND2 PHE 35.A O no hydrogen 3.622 N/A ASN 58.A ND2 THR 38.A OG1 no hydrogen 2.526 N/A ILE 59.A N THR 38.A O no hydrogen 3.413 N/A ILE 60.A N TYR 66.A O no hydrogen 2.883 N/A MET 61.A N GLN 239.A OE1 no hydrogen 3.084 N/A LYS 64.A NZ ASP 212.A OD2 no hydrogen 2.598 N/A LYS 64.A NZ ASP 216.A OD2 no hydrogen 2.906 N/A TYR 66.A N ILE 60.A O no hydrogen 2.799 N/A TYR 66.A OH ASP 212.A OD2 no hydrogen 2.625 N/A ILE 67.A N VAL 194.A O no hydrogen 2.743 N/A ALA 68.A N ASN 58.A O no hydrogen 3.115 N/A THR 69.A OG1 ASN 56.A O no hydrogen 2.613 N/A THR 69.A OG1 GLN 70.A O no hydrogen 3.527 N/A GLN 70.A NE2 LYS 26.A O no hydrogen 3.093 N/A GLY 71.A N SER 199.A O no hydrogen 3.132 N/A LEU 73.A N THR 76.A OG1 no hydrogen 2.538 N/A ASN 75.A ND2 ASN 25.A O no hydrogen 3.072 N/A THR 76.A N LEU 73.A O no hydrogen 2.768 N/A THR 76.A OG1 LEU 73.A O no hydrogen 3.031 N/A VAL 77.A N LEU 73.A O no hydrogen 3.237 N/A PHE 80.A N THR 76.A O no hydrogen 2.849 N/A TRP 81.A N VAL 77.A O no hydrogen 3.410 N/A TRP 81.A NE1 TYR 109.A O no hydrogen 2.858 N/A ARG 82.A N ASN 78.A O no hydrogen 3.143 N/A ARG 82.A NH1 SER 52.A O no hydrogen 2.942 N/A ARG 82.A NH2 HIS 43.A O no hydrogen 2.926 N/A ARG 82.A NH2 SER 52.A O no hydrogen 2.917 N/A MET 83.A N ASP 79.A O no hydrogen 3.177 N/A VAL 84.A N PHE 80.A O no hydrogen 3.094 N/A PHE 85.A N TRP 81.A O no hydrogen 2.902 N/A GLN 86.A N ARG 82.A O no hydrogen 2.807 N/A GLN 86.A NE2 VAL 41.A O no hydrogen 2.505 N/A GLN 86.A NE2 GLU 87.A OE2 no hydrogen 3.341 N/A GLU 87.A N MET 83.A O no hydrogen 2.740 N/A ASN 88.A N PHE 85.A O no hydrogen 2.987 N/A ASN 88.A ND2 ASP 190.A O no hydrogen 2.545 N/A SER 89.A N VAL 84.A O no hydrogen 3.088 N/A SER 89.A OG PRO 193.A O no hydrogen 2.770 N/A ARG 90.A NH2 ASN 88.A OD1 no hydrogen 2.648 N/A ILE 92.A N TRP 155.A O no hydrogen 2.808 N/A VAL 93.A N VAL 195.A O no hydrogen 2.788 N/A MET 94.A N TYR 157.A O no hydrogen 2.992 N/A THR 95.A OG1 HIS 197.A O no hydrogen 2.579 N/A THR 96.A OG1 LYS 97.A O no hydrogen 3.372 N/A LYS 97.A NZ ARG 160.A O no hydrogen 2.804 N/A LYS 103.A N GLU 100.A O no hydrogen 2.533 N/A CYS 106.A SG VAL 107.A O no hydrogen 3.296 N/A VAL 107.A N CYS 72.A O no hydrogen 3.220 N/A LYS 108.A NZ ASP 112.A OD1 no hydrogen 2.873 N/A LYS 108.A NZ ASP 112.A OD2 no hydrogen 3.552 N/A TYR 114.A N ASN 126.A O no hydrogen 2.811 N/A ALA 115.A N ASP 112.A O no hydrogen 2.728 N/A LYS 117.A N VAL 124.A O no hydrogen 3.107 N/A TYR 119.A N MET 122.A O no hydrogen 2.621 N/A MET 122.A N TYR 119.A O no hydrogen 2.854 N/A ARG 123.A N SER 143.A O no hydrogen 2.662 N/A ARG 123.A NE GLU 118.A OE2 no hydrogen 3.336 N/A ARG 123.A NH2 GLU 118.A OE2 no hydrogen 3.016 N/A VAL 124.A N LYS 117.A O no hydrogen 2.997 N/A ARG 125.A N LYS 141.A O no hydrogen 2.784 N/A ARG 125.A NE GLU 151.A OE2 no hydrogen 3.357 N/A ASN 126.A N ALA 115.A O no hydrogen 3.211 N/A ASN 126.A ND2 PRO 111.A O no hydrogen 3.162 N/A VAL 127.A N GLU 139.A O no hydrogen 2.936 N/A LYS 128.A N ASN 126.A OD1 no hydrogen 2.957 N/A LYS 128.A NZ GLU 129.A O no hydrogen 2.993 N/A LYS 128.A NZ SER 130.A OG no hydrogen 3.063 N/A GLU 129.A N GLU 113.A OE2 no hydrogen 2.808 N/A SER 130.A N LEU 137.A O no hydrogen 2.913 N/A THR 136.A N HIS 158.A O no hydrogen 3.290 N/A LEU 137.A N SER 130.A O no hydrogen 2.745 N/A ARG 138.A N GLN 156.A O no hydrogen 3.326 N/A ARG 138.A NH1 GLN 156.A OE1 no hydrogen 2.479 N/A ARG 138.A NH1 HIS 158.A ND1 no hydrogen 2.949 N/A ARG 138.A NH2 HIS 158.A ND1 no hydrogen 3.427 N/A GLU 139.A N LYS 128.A O no hydrogen 3.189 N/A LEU 140.A N VAL 154.A O no hydrogen 3.289 N/A LYS 141.A N ARG 125.A O no hydrogen 2.996 N/A LYS 141.A NZ GLU 139.A OE2 no hydrogen 3.022 N/A LYS 141.A NZ THR 153.A OG1 no hydrogen 2.620 N/A LEU 142.A N ARG 152.A O no hydrogen 2.942 N/A SER 143.A N ARG 123.A O no hydrogen 3.019 N/A LYS 144.A N THR 150.A OG1 no hydrogen 3.272 N/A VAL 145.A N VAL 121.A O no hydrogen 2.589 N/A GLN 147.A N LYS 144.A O no hydrogen 2.998 N/A THR 150.A OG1 GLN 147.A O no hydrogen 2.833 N/A GLU 151.A N GLY 148.A O no hydrogen 3.202 N/A ARG 152.A N LEU 142.A O no hydrogen 2.855 N/A ARG 152.A NE THR 150.A O no hydrogen 3.045 N/A ARG 152.A NH1 THR 150.A O no hydrogen 3.371 N/A ARG 152.A NH2 ASN 88.A OD1 no hydrogen 3.291 N/A VAL 154.A N LEU 140.A O no hydrogen 2.736 N/A TRP 155.A N ARG 90.A O no hydrogen 2.750 N/A GLN 156.A N ARG 138.A O no hydrogen 2.972 N/A GLN 156.A NE2 TYR 109.A OH no hydrogen 2.950 N/A HIS 158.A N THR 136.A O no hydrogen 2.971 N/A PHE 159.A N MET 94.A O no hydrogen 2.837 N/A ARG 160.A N ASP 134.A O no hydrogen 2.928 N/A THR 161.A OG1 ASP 134.A O no hydrogen 3.375 N/A THR 161.A OG1 ASP 134.A OD1 no hydrogen 2.811 N/A GLY 172.A N ASP 170.A OD2 no hydrogen 2.618 N/A LEU 175.A N PRO 171.A O no hydrogen 2.981 N/A LEU 175.A N GLY 172.A O no hydrogen 3.189 N/A ASP 176.A N GLY 172.A O no hydrogen 3.058 N/A PHE 177.A N GLY 173.A O no hydrogen 3.093 N/A LEU 178.A N VAL 174.A O no hydrogen 2.931 N/A GLU 179.A N LEU 175.A O no hydrogen 2.867 N/A GLU 180.A N ASP 176.A O no hydrogen 2.927 N/A VAL 181.A N PHE 177.A O no hydrogen 3.127 N/A HIS 182.A N LEU 178.A O no hydrogen 2.820 N/A HIS 183.A N GLU 179.A O no hydrogen 3.237 N/A LYS 184.A N GLU 180.A O no hydrogen 2.858 N/A GLN 185.A N VAL 181.A O no hydrogen 3.058 N/A GLN 185.A NE2 GLY 192.A O no hydrogen 3.209 N/A GLU 186.A N HIS 182.A O no hydrogen 2.895 N/A SER 187.A N HIS 183.A O no hydrogen 2.939 N/A SER 187.A OG LYS 184.A O no hydrogen 2.656 N/A VAL 194.A N SER 65.A O no hydrogen 2.949 N/A VAL 195.A N VAL 91.A O no hydrogen 3.290 N/A VAL 196.A N ILE 67.A O no hydrogen 3.016 N/A HIS 197.A N VAL 93.A O no hydrogen 3.175 N/A CYS 198.A SG THR 205.A OG1 no hydrogen 2.713 N/A ARG 204.A NH1 THR 95.A O no hydrogen 2.595 N/A ARG 204.A NH1 GLU 100.A OE2 no hydrogen 3.001 N/A ARG 204.A NH2 GLU 100.A OE2 no hydrogen 3.424 N/A GLY 206.A N ILE 202.A O no hydrogen 3.209 N/A THR 207.A N GLY 203.A O no hydrogen 2.943 N/A THR 207.A OG1 GLY 203.A O no hydrogen 3.137 N/A PHE 208.A N ARG 204.A O no hydrogen 3.123 N/A ILE 209.A N THR 205.A O no hydrogen 2.991 N/A VAL 210.A N GLY 206.A O no hydrogen 2.970 N/A ILE 211.A N THR 207.A O no hydrogen 3.067 N/A ASP 212.A N PHE 208.A O no hydrogen 2.824 N/A ILE 213.A N ILE 209.A O no hydrogen 2.890 N/A LEU 214.A N VAL 210.A O no hydrogen 3.090 N/A ILE 215.A N ILE 211.A O no hydrogen 2.927 N/A ASP 216.A N ASP 212.A O no hydrogen 2.957 N/A ILE 217.A N ILE 213.A O no hydrogen 3.266 N/A ILE 218.A N LEU 214.A O no hydrogen 2.922 N/A ARG 219.A N ASP 216.A O no hydrogen 3.291 N/A ARG 219.A NE GLU 179.A OE2 no hydrogen 3.306 N/A ARG 219.A NH2 GLU 179.A OE1 no hydrogen 2.692 N/A ARG 219.A NH2 GLU 179.A OE2 no hydrogen 3.286 N/A GLU 220.A N ASP 216.A O no hydrogen 3.259 N/A LYS 221.A N ILE 217.A O no hydrogen 2.987 N/A LYS 221.A NZ GLU 220.A OE1 no hydrogen 3.560 N/A CYS 225.A SG GLY 222.A O no hydrogen 3.103 N/A LYS 231.A N ASP 228.A OD1 no hydrogen 2.960 N/A THR 232.A N ASP 228.A O no hydrogen 3.111 N/A THR 232.A N VAL 229.A O no hydrogen 2.891 N/A THR 232.A OG1 ASP 228.A O no hydrogen 2.561 N/A ILE 233.A N VAL 229.A O no hydrogen 2.956 N/A GLN 234.A N PRO 230.A O no hydrogen 3.357 N/A MET 235.A N LYS 231.A O no hydrogen 3.155 N/A VAL 236.A N THR 232.A O no hydrogen 3.012 N/A ARG 237.A N ILE 233.A O no hydrogen 2.834 N/A ARG 237.A NE MET 243.A O no hydrogen 2.941 N/A ARG 237.A NH1 GLN 5.A OE1 no hydrogen 2.734 N/A ARG 237.A NH2 GLN 5.A OE1 no hydrogen 3.237 N/A ARG 237.A NH2 MET 243.A O no hydrogen 3.335 N/A SER 238.A N GLN 234.A O no hydrogen 3.073 N/A SER 238.A OG MET 235.A O no hydrogen 2.603 N/A GLN 239.A N VAL 236.A O no hydrogen 2.723 N/A GLN 239.A NE2 MET 61.A O no hydrogen 3.134 N/A GLN 239.A NE2 MET 235.A O no hydrogen 3.405 N/A ARG 240.A N VAL 236.A O no hydrogen 2.878 N/A ARG 240.A NE GLY 201.A O no hydrogen 2.683 N/A ARG 240.A NH1 ASN 56.A OD1 no hydrogen 3.472 N/A ARG 240.A NH1 ASN 58.A OD1 no hydrogen 2.511 N/A ARG 240.A NH2 ASN 56.A OD1 no hydrogen 3.559 N/A ARG 240.A NH2 ALA 200.A O no hydrogen 3.052 N/A ARG 240.A NH2 GLY 201.A O no hydrogen 3.301 N/A VAL 244.A N ILE 202.A O no hydrogen 2.836 N/A GLN 245.A N GLN 249.A OE1 no hydrogen 3.336 N/A GLN 249.A N THR 246.A OG1 no hydrogen 2.924 N/A TYR 250.A N THR 246.A O no hydrogen 3.170 N/A ARG 251.A N GLU 247.A O no hydrogen 2.637 N/A PHE 252.A N ALA 248.A O no hydrogen 2.996 N/A ILE 253.A N GLN 249.A O no hydrogen 3.366 N/A MET 255.A N ARG 251.A O no hydrogen 2.917 N/A ALA 256.A N PHE 252.A O no hydrogen 2.537 N/A VAL 257.A N ILE 253.A O no hydrogen 3.034 N/A GLN 258.A N TYR 254.A O no hydrogen 3.033 N/A HIS 259.A N MET 255.A O no hydrogen 3.066 N/A TYR 260.A N ALA 256.A O no hydrogen 3.036 N/A ILE 261.A N VAL 257.A O no hydrogen 3.095 N/A GLU 262.A N GLN 258.A O no hydrogen 2.891 N/A THR 263.A N HIS 259.A O no hydrogen 2.931 N/A THR 263.A OG1 HIS 259.A O no hydrogen 3.479 N/A LEU 264.A N TYR 260.A O no hydrogen 3.099 N/A