Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3npf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N TYR 44.A O no hydrogen 2.768 N/A ARG 4.A NH1 GLN 43.A OE1 no hydrogen 3.197 N/A SER 9.A N PRO 6.A O no hydrogen 2.957 N/A SER 9.A OG.A ASP 8.A OD1 no hydrogen 2.757 N/A SER 9.A OG.B PRO 6.A O no hydrogen 3.363 N/A SER 9.A OG.B ASP 8.A OD1 no hydrogen 3.246 N/A ALA 10.A N ALA 7.A O no hydrogen 3.459 N/A GLY 12.A N VAL 39.A O no hydrogen 2.903 N/A VAL 13.A N THR 65.A O no hydrogen 3.101 N/A HIS 15.A N VAL 63.A O no hydrogen 3.187 N/A HIS 15.A ND1 THR 65.A OG1 no hydrogen 2.722 N/A SER 17.A OG ASP 102.A OD1 no hydrogen 3.381 N/A SER 17.A OG ASP 102.A OD2 no hydrogen 2.737 N/A CYS 19.A N ALA 34.A O no hydrogen 2.888 N/A CYS 19.A SG ALA 34.A O no hydrogen 3.900 N/A LEU 21.A N THR 32.A O no hydrogen 2.912 N/A ARG 22.A N TRP 59.A O no hydrogen 2.846 N/A ARG 22.A NH1 SER 29.A O no hydrogen 2.900 N/A GLU 23.A N GLY 30.A O no hydrogen 2.865 N/A GLU 24.A N SER 29.A OG.A no hydrogen 2.841 N/A GLU 24.A N SER 29.A OG.B no hydrogen 3.198 N/A LYS 26.A N GLU 24.A O no hydrogen 2.882 N/A SER 29.A N LYS 26.A O no hydrogen 3.195 N/A SER 29.A OG.B GLU 24.A O no hydrogen 2.925 N/A SER 29.A OG.B LYS 26.A O no hydrogen 2.829 N/A SER 31.A OG LEU 21.A O no hydrogen 3.324 N/A THR 32.A N LEU 21.A O no hydrogen 3.510 N/A GLN 33.A N THR 168.A OG1 no hydrogen 3.267 N/A GLN 33.A NE2 ASN 20.A OD1 no hydrogen 2.945 N/A ALA 34.A N CYS 19.A O no hydrogen 3.136 N/A LEU 36.A N SER 17.A O no hydrogen 3.034 N/A GLY 37.A N VAL 14.A O no hydrogen 2.829 N/A VAL 39.A N GLY 12.A O no hydrogen 2.896 N/A LYS 40.A N GLN 51.A O no hydrogen 3.001 N/A VAL 41.A N ALA 10.A O no hydrogen 2.894 N/A LEU 42.A N GLU 49.A O no hydrogen 2.735 N/A GLN 43.A NE2 GLU 49.A OE1 no hydrogen 2.780 N/A TYR 44.A N ILE 3.A O no hydrogen 2.830 N/A ASN 45.A N TRP 47.A O no hydrogen 2.966 N/A TRP 47.A N ASN 45.A OD1 no hydrogen 3.128 N/A TYR 48.A N VAL 60.A O no hydrogen 2.841 N/A GLU 49.A N GLN 43.A O no hydrogen 2.925 N/A ILE 50.A N GLY 58.A O no hydrogen 2.796 N/A GLN 51.A N LYS 40.A O no hydrogen 2.859 N/A GLN 51.A NE2 ASP 55.A O no hydrogen 2.992 N/A THR 52.A N TYR 56.A O no hydrogen 2.920 N/A THR 52.A OG1 ASP 54.A OD1 no hydrogen 2.629 N/A THR 52.A OG1 TYR 56.A O no hydrogen 3.261 N/A ASP 55.A N THR 52.A O no hydrogen 2.808 N/A TYR 56.A N ASP 54.A OD1 no hydrogen 2.923 N/A TYR 56.A OH ASP 191.A OD2 no hydrogen 3.025 N/A GLY 58.A N ILE 50.A O no hydrogen 3.058 N/A TRP 59.A N ARG 22.A O no hydrogen 2.877 N/A VAL 60.A N TYR 48.A O no hydrogen 2.806 N/A THR 65.A N VAL 13.A O no hydrogen 2.893 N/A THR 65.A OG1 HIS 15.A ND1 no hydrogen 2.722 N/A LYS 68.A NZ ASP 72.A OD1 no hydrogen 2.634 N/A LYS 68.A NZ ASP 72.A OD2 no hydrogen 3.220 N/A ARG 70.A N SER 67.A OG no hydrogen 3.098 N/A TYR 71.A N SER 67.A O no hydrogen 2.999 N/A TYR 71.A OH PHE 292.A O no hydrogen 2.538 N/A ASP 72.A N LYS 68.A O no hydrogen 2.843 N/A GLU 73.A N GLU 69.A O no hydrogen 3.049 N/A TRP 74.A N ARG 70.A O no hydrogen 3.010 N/A TRP 74.A NE1 GLY 37.A O no hydrogen 3.009 N/A ASN 75.A N TYR 71.A O no hydrogen 2.967 N/A ASN 75.A ND2 PHE 292.A O no hydrogen 3.036 N/A ARG 76.A N ASP 72.A O no hydrogen 2.935 N/A ALA 77.A N GLU 73.A O no hydrogen 3.236 N/A ALA 77.A N TRP 74.A O no hydrogen 3.256 N/A LYS 79.A N GLU 139.A OE1 no hydrogen 3.170 N/A LYS 79.A NZ TRP 74.A O no hydrogen 2.814 N/A LYS 79.A NZ ALA 77.A O no hydrogen 2.785 N/A ILE 80.A N LEU 109.A O no hydrogen 2.729 N/A VAL 81.A N GLN 137.A O no hydrogen 2.881 N/A VAL 82.A N ASN 107.A O no hydrogen 2.852 N/A THR 83.A N ILE 135.A O no hydrogen 2.937 N/A SER 84.A N ILE 135.A O no hydrogen 3.309 N/A HIS 85.A ND1 SER 170.A OG no hydrogen 2.758 N/A HIS 85.A NE2 SER 159.A OG no hydrogen 2.813 N/A TYR 86.A OH SER 170.A O no hydrogen 2.642 N/A GLY 87.A N VAL 103.A O no hydrogen 3.148 N/A ALA 89.A N SER 101.A O no hydrogen 2.912 N/A TYR 90.A N TYR 130.A O no hydrogen 2.827 N/A GLU 91.A N GLN 98.A O no hydrogen 2.824 N/A LYS 92.A N SER 97.A OG no hydrogen 3.276 N/A ASP 94.A N LYS 92.A O no hydrogen 2.725 N/A SER 96.A N ASP 94.A OD1 no hydrogen 2.930 N/A SER 96.A OG.B ASP 94.A OD1 no hydrogen 2.806 N/A SER 96.A OG.B ASP 94.A OD2 no hydrogen 3.211 N/A SER 97.A N ASP 94.A O no hydrogen 3.006 N/A SER 97.A OG LYS 92.A O no hydrogen 3.281 N/A SER 97.A OG ASP 94.A O no hydrogen 2.649 N/A GLN 98.A NE2 PRO 99.A O no hydrogen 2.992 N/A VAL 100.A N ALA 89.A O no hydrogen 2.828 N/A SER 101.A OG ASP 102.A O no hydrogen 2.704 N/A SER 101.A OG TYR 123.A OH no hydrogen 2.686 N/A VAL 103.A N GLY 87.A O no hydrogen 2.886 N/A VAL 104.A N ASN 107.A OD1 no hydrogen 2.973 N/A ALA 105.A N HIS 85.A O no hydrogen 3.106 N/A GLY 106.A N VAL 82.A O no hydrogen 2.900 N/A ASN 107.A N VAL 104.A O no hydrogen 2.972 N/A ASN 107.A ND2 SER 17.A O no hydrogen 2.898 N/A ARG 108.A N LEU 36.A O no hydrogen 2.987 N/A ARG 108.A NH1 THR 287.A OG1 no hydrogen 2.999 N/A ARG 108.A NH2 ASP 185.A OD1 no hydrogen 2.973 N/A LEU 109.A N ILE 80.A O no hydrogen 2.994 N/A LYS 110.A N SER 122.A O no hydrogen 3.087 N/A TRP 111.A N GLU 78.A O no hydrogen 3.082 N/A TRP 111.A NE1 GLY 113.A O no hydrogen 2.874 N/A GLU 112.A N GLN 120.A O no hydrogen 2.768 N/A GLY 113.A N GLN 120.A O no hydrogen 3.262 N/A LYS 115.A N PHE 118.A O no hydrogen 2.940 N/A LYS 115.A NZ TYR 130.A OH no hydrogen 2.550 N/A PHE 118.A N LYS 115.A O no hydrogen 2.942 N/A TYR 119.A N LEU 131.A O no hydrogen 2.777 N/A GLN 120.A N GLY 113.A O no hydrogen 2.806 N/A VAL 121.A N ALA 129.A O no hydrogen 2.861 N/A SER 122.A N LYS 110.A O no hydrogen 2.917 N/A SER 122.A OG GLU 112.A OE2 no hydrogen 2.630 N/A TYR 123.A N ARG 127.A O no hydrogen 2.802 N/A TYR 123.A OH SER 101.A OG no hydrogen 2.686 N/A GLY 126.A N TYR 123.A O no hydrogen 2.981 N/A ARG 127.A N ASP 125.A OD1 no hydrogen 2.965 N/A ARG 127.A NE ASP 125.A OD1 no hydrogen 2.993 N/A ARG 127.A NE ASP 125.A OD2 no hydrogen 3.406 N/A ARG 127.A NH2 ASP 125.A OD2 no hydrogen 3.001 N/A ALA 129.A N VAL 121.A O no hydrogen 2.943 N/A TYR 130.A N TYR 90.A O no hydrogen 2.766 N/A LEU 131.A N TYR 119.A O no hydrogen 2.892 N/A SER 132.A OG SER 134.A OG.A no hydrogen 2.653 N/A LYS 133.A N HIS 117.A O no hydrogen 2.973 N/A LYS 133.A NZ GLY 116.A O no hydrogen 3.289 N/A SER 134.A N SER 132.A OG no hydrogen 3.063 N/A SER 134.A OG.A SER 132.A OG no hydrogen 2.653 N/A ILE 135.A N SER 132.A O no hydrogen 3.236 N/A SER 136.A OG SER 132.A O no hydrogen 2.964 N/A GLN 137.A N VAL 81.A O no hydrogen 2.981 N/A GLU 139.A N LYS 79.A O no hydrogen 2.791 N/A ALA 140.A N GLU 78.A OE2 no hydrogen 2.943 N/A TRP 142.A N PRO 138.A O no hydrogen 2.929 N/A ARG 143.A N GLU 139.A O no hydrogen 2.948 N/A ARG 143.A NE GLU 139.A OE2 no hydrogen 2.997 N/A ARG 143.A NH1 ASP 185.A OD2 no hydrogen 2.764 N/A ARG 143.A NH2 GLU 139.A OE2 no hydrogen 2.978 N/A ARG 143.A NH2 THR 287.A OG1 no hydrogen 2.892 N/A ALA 144.A N ALA 140.A O no hydrogen 3.051 N/A SER 145.A N GLY 141.A O no hydrogen 3.074 N/A SER 145.A OG GLY 141.A O no hydrogen 3.398 N/A SER 145.A OG TRP 142.A O no hydrogen 3.377 N/A LEU 146.A N ARG 143.A O no hydrogen 3.234 N/A GLN 148.A NE2 HIS 184.A O no hydrogen 2.775 N/A SER 152.A N ASP 149.A OD2 no hydrogen 3.015 N/A SER 152.A OG ASP 149.A OD1 no hydrogen 2.761 N/A SER 152.A OG ASP 149.A OD2 no hydrogen 3.421 N/A ILE 153.A N ASP 149.A O no hydrogen 3.118 N/A ILE 154.A N VAL 150.A O no hydrogen 2.888 N/A GLU 155.A N GLU 151.A O no hydrogen 2.874 N/A THR 156.A N SER 152.A O no hydrogen 3.150 N/A THR 156.A OG1 SER 152.A O no hydrogen 3.316 N/A THR 156.A OG1 HIS 184.A NE2 no hydrogen 2.611 N/A ALA 157.A N ILE 153.A O no hydrogen 3.064 N/A TYR 158.A N ILE 154.A O no hydrogen 2.876 N/A SER 159.A N GLU 155.A O no hydrogen 2.984 N/A SER 159.A N THR 156.A O no hydrogen 3.107 N/A SER 159.A OG HIS 85.A NE2 no hydrogen 2.813 N/A SER 159.A OG THR 156.A O no hydrogen 2.602 N/A GLY 160.A N VAL 250.A O no hydrogen 2.856 N/A TYR 163.A N GLY 248.A O no hydrogen 3.015 N/A LEU 164.A N VAL 173.A O no hydrogen 2.910 N/A ALA 166.A N ASP 174.A OD2 no hydrogen 2.920 N/A GLY 167.A N LEU 164.A O no hydrogen 2.780 N/A THR 168.A N GLN 33.A OE1 no hydrogen 2.833 N/A THR 168.A OG1 ALA 166.A O no hydrogen 2.888 N/A SER 170.A OG HIS 85.A ND1 no hydrogen 2.758 N/A LYS 171.A N SER 169.A OG no hydrogen 2.984 N/A LYS 171.A NZ ASP 102.A OD2 no hydrogen 2.791 N/A GLY 172.A N SER 169.A O no hydrogen 3.011 N/A VAL 173.A N PRO 162.A O no hydrogen 3.115 N/A ASP 174.A N GLY 167.A O no hydrogen 3.133 N/A SER 175.A OG ASP 174.A OD1 no hydrogen 3.480 N/A SER 175.A OG ARG 190.A O no hydrogen 3.355 N/A GLY 176.A N ASP 174.A OD1 no hydrogen 2.800 N/A LEU 177.A N ASP 174.A O no hydrogen 2.828 N/A ARG 179.A N SER 175.A O no hydrogen 3.063 N/A ARG 179.A NH1 ASP 54.A OD2 no hydrogen 2.713 N/A ARG 179.A NH2 ASP 54.A OD2 no hydrogen 3.420 N/A THR 180.A N GLY 176.A O no hydrogen 2.832 N/A THR 180.A OG1 GLY 176.A O no hydrogen 2.775 N/A VAL 181.A N LEU 177.A O no hydrogen 2.969 N/A LEU 182.A N VAL 178.A O no hydrogen 2.974 N/A PHE 183.A N ARG 179.A O no hydrogen 2.865 N/A HIS 184.A ND1 LYS 147.A O no hydrogen 2.695 N/A HIS 184.A NE2 THR 156.A OG1 no hydrogen 2.611 N/A ASP 185.A N PHE 183.A O no hydrogen 2.994 N/A ILE 186.A N LEU 182.A O no hydrogen 2.930 N/A ILE 187.A N ASN 285.A O no hydrogen 2.808 N/A ARG 190.A NE THR 32.A OG1 no hydrogen 3.084 N/A ARG 190.A NE THR 168.A OG1 no hydrogen 3.155 N/A ARG 190.A NH1 ASP 174.A OD1 no hydrogen 3.485 N/A ARG 190.A NH1 SER 175.A OG no hydrogen 2.868 N/A ARG 190.A NH1 ARG 190.A O no hydrogen 2.812 N/A ARG 190.A NH2 THR 168.A OG1 no hydrogen 3.038 N/A ARG 190.A NH2 ASP 174.A OD1 no hydrogen 2.834 N/A ARG 190.A NH2 ASP 174.A OD2 no hydrogen 3.495 N/A GLN 194.A N ASP 191.A O no hydrogen 2.932 N/A GLN 195.A N ASP 191.A O no hydrogen 2.920 N/A GLN 195.A NE2 SER 175.A O no hydrogen 3.470 N/A GLN 195.A NE2 PRO 189.A O no hydrogen 2.838 N/A ALA 196.A N ALA 192.A O no hydrogen 2.991 N/A TYR 197.A N GLN 194.A O no hydrogen 3.213 N/A TYR 197.A OH GLU 229.A OE2 no hydrogen 2.549 N/A VAL 198.A N GLN 195.A O no hydrogen 3.369 N/A GLY 199.A N GLU 282.A OE1 no hydrogen 3.189 N/A GLY 199.A N GLU 282.A OE2 no hydrogen 3.144 N/A GLU 200.A N ARG 274.A O no hydrogen 2.954 N/A HIS 201.A NE2 ASP 203.A OD1.A no hydrogen 3.183 N/A ILE 202.A N ALA 272.A O no hydrogen 2.811 N/A ALA 205.A N ASN 210.A OD1 no hydrogen 2.850 N/A PHE 208.A N ALA 205.A O no hydrogen 2.862 N/A SER 209.A N ASP 207.A OD1 no hydrogen 2.949 N/A SER 209.A OG ASP 207.A OD1 no hydrogen 2.520 N/A SER 209.A OG ASP 207.A OD2 no hydrogen 3.288 N/A ASN 210.A ND2 ASP 203.A O no hydrogen 2.838 N/A VAL 211.A N PHE 208.A O no hydrogen 3.290 N/A LYS 212.A N ASP 215.A OD2 no hydrogen 2.888 N/A LYS 212.A NZ.B SER 209.A O no hydrogen 3.520 N/A ARG 213.A NE GLU 151.A OE1 no hydrogen 3.392 N/A ARG 213.A NE GLU 151.A OE2 no hydrogen 2.744 N/A ARG 213.A NH1 LEU 238.A O no hydrogen 2.815 N/A ARG 213.A NH2 GLU 151.A OE1 no hydrogen 2.929 N/A GLY 214.A N TYR 237.A O no hydrogen 2.939 N/A ASP 215.A N LYS 212.A O no hydrogen 2.991 N/A LEU 216.A N VAL 273.A O no hydrogen 2.876 N/A VAL 217.A N GLY 235.A O no hydrogen 2.941 N/A PHE 218.A N PHE 271.A O no hydrogen 2.914 N/A PHE 219.A N HIS 233.A O no hydrogen 2.968 N/A GLY 220.A N ARG 268.A O no hydrogen 2.847 N/A ARG 221.A N GLY 230.A O no hydrogen 2.812 N/A ARG 221.A NH2 LYS 228.A O no hydrogen 2.751 N/A THR 224.A N ARG 227.A O no hydrogen 2.802 N/A ARG 227.A N THR 224.A O no hydrogen 3.408 N/A GLY 230.A N ARG 221.A O no hydrogen 2.845 N/A SER 232.A N PHE 219.A O no hydrogen 2.812 N/A SER 232.A OG.A PHE 219.A O no hydrogen 3.310 N/A HIS 233.A N PHE 219.A O no hydrogen 3.146 N/A HIS 233.A NE2 HIS 245.A ND1 no hydrogen 2.767 N/A GLY 235.A N VAL 217.A O no hydrogen 2.943 N/A ILE 236.A N ILE 244.A O no hydrogen 2.872 N/A TYR 237.A N ASP 215.A O no hydrogen 2.778 N/A LEU 238.A N GLN 242.A O no hydrogen 2.811 N/A LYS 241.A N TYR 237.A OH no hydrogen 2.885 N/A GLN 242.A N GLY 239.A O no hydrogen 3.067 N/A PHE 243.A N SER 253.A O no hydrogen 2.925 N/A ILE 244.A N ILE 236.A O no hydrogen 2.881 N/A HIS 245.A N HIS 251.A O no hydrogen 3.037 N/A HIS 245.A ND1 HIS 233.A NE2 no hydrogen 2.767 N/A HIS 245.A NE2 SER 253.A OG no hydrogen 2.804 N/A LEU 247.A N ASP 249.A O no hydrogen 3.047 N/A VAL 250.A N ILE 161.A O no hydrogen 2.856 N/A HIS 251.A N HIS 245.A O no hydrogen 2.949 N/A HIS 251.A ND1 ASP 249.A O no hydrogen 2.966 N/A SER 253.A N PHE 243.A O no hydrogen 2.917 N/A SER 253.A OG HIS 245.A NE2 no hydrogen 2.804 N/A SER 254.A N ASN 260.A O no hydrogen 2.952 N/A SER 254.A OG ASP 258.A OD2 no hydrogen 2.461 N/A ALA 257.A N ASN 255.A OD1 no hydrogen 2.999 N/A ASP 258.A N ASN 255.A O no hydrogen 2.950 N/A ASN 260.A ND2 GLN 242.A OE1 no hydrogen 3.106 N/A ASN 260.A ND2 VAL 252.A O no hydrogen 3.068 N/A TYR 261.A N ASP 258.A O no hydrogen 3.198 N/A ASP 262.A N SER 254.A O no hydrogen 2.917 N/A ASN 265.A N ASP 262.A OD1 no hydrogen 3.030 N/A ASN 265.A ND2 ASP 262.A OD2 no hydrogen 2.807 N/A THR 266.A N ASP 262.A O no hydrogen 3.020 N/A THR 266.A OG1 ASP 262.A O no hydrogen 2.646 N/A LYS 267.A N GLU 263.A O no hydrogen 3.050 N/A LYS 267.A NZ GLU 263.A OE2 no hydrogen 3.568 N/A ARG 268.A N ASN 265.A O no hydrogen 2.816 N/A ARG 268.A NH2 SER 232.A OG.A no hydrogen 3.108 N/A LEU 269.A N THR 266.A O no hydrogen 3.146 N/A LEU 270.A N PHE 218.A O no hydrogen 2.877 N/A ALA 272.A N ILE 202.A O no hydrogen 3.099 N/A VAL 273.A N LEU 216.A O no hydrogen 2.817 N/A ARG 274.A N GLU 200.A O no hydrogen 2.858 N/A ARG 274.A NE ASP 215.A OD1 no hydrogen 2.860 N/A ARG 274.A NH2 ASN 210.A O no hydrogen 3.016 N/A ARG 274.A NH2 ASP 215.A OD2 no hydrogen 2.815 N/A TYR 278.A N PHE 275.A O no hydrogen 2.900 N/A ILE 279.A N LEU 276.A O no hydrogen 3.458 N/A ASN 280.A ND2 THR 286.A OG1 no hydrogen 2.853 N/A LYS 281.A N TYR 278.A O no hydrogen 2.883 N/A THR 286.A N ASN 280.A OD1 no hydrogen 3.106 N/A THR 286.A OG1 ASN 288.A OD1 no hydrogen 2.564 N/A THR 287.A N ASP 185.A O no hydrogen 3.187 N/A THR 287.A OG1 ASP 185.A OD1 no hydrogen 2.595 N/A THR 287.A OG1 ASP 185.A OD2 no hydrogen 3.424 N/A LYS 289.A N THR 286.A O no hydrogen 2.935 N/A ASN 290.A N THR 286.A O no hydrogen 2.918 N/A ASN 290.A ND2 PRO 53.A O no hydrogen 3.051 N/A ASN 290.A ND2 ASN 285.A OD1 no hydrogen 2.776 N/A PHE 292.A N ASN 290.A OD1 no hydrogen 2.937 N/A TYR 293.A N ASN 290.A O no hydrogen 3.029 N/A GLN 294.A NE2 ASN 290.A O no hydrogen 3.535 N/A