Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pgx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.A N GLU 25.A O no hydrogen 3.131 N/A CYS 3.A SG GLU 28.A O no hydrogen 3.729 N/A LEU 4.A N HIS 26.A ND1 no hydrogen 3.056 N/A ILE 5.A N LEU 33.A O no hydrogen 3.097 N/A GLU 7.A N LEU 35.A O no hydrogen 2.873 N/A THR 8.A N ASP 6.A OD1 no hydrogen 2.761 N/A THR 8.A OG1 ASP 6.A OD1 no hydrogen 2.765 N/A THR 8.A OG1 THR 10.A OG1 no hydrogen 3.325 N/A THR 10.A N THR 8.A OG1 no hydrogen 3.361 N/A THR 10.A OG1 THR 8.A OG1 no hydrogen 3.325 N/A ASP 12.A N THR 10.A OG1 no hydrogen 3.167 N/A ALA 14.A N ASP 12.A OD1 no hydrogen 2.801 N/A VAL 17.A N GLY 13.A O no hydrogen 3.110 N/A LEU 18.A N ALA 14.A O no hydrogen 2.936 N/A ALA 19.A N LEU 15.A O no hydrogen 2.782 N/A ALA 20.A N SER 16.A O no hydrogen 3.065 N/A ARG 21.A N VAL 17.A O no hydrogen 2.879 N/A TRP 22.A N LEU 18.A O no hydrogen 3.239 N/A GLY 23.A N ALA 20.A O no hydrogen 3.126 N/A LEU 24.A N ALA 19.A O no hydrogen 2.712 N/A HIS 26.A NE2 GLU 28.A OE1 no hydrogen 2.851 N/A ASP 27.A N ILE 2.A O no hydrogen 2.787 N/A ASN 30.A N ASP 27.A O no hydrogen 2.925 N/A ASN 30.A ND2 ASP 27.A OD2 no hydrogen 2.893 N/A LEU 33.A N CYS 3.A O no hydrogen 2.889 N/A VAL 34.A N GLU 41.A O no hydrogen 2.753 N/A LEU 35.A N ILE 5.A O no hydrogen 2.993 N/A THR 36.A N HIS 39.A O no hydrogen 2.763 N/A THR 36.A OG1 HIS 39.A O no hydrogen 2.772 N/A HIS 39.A N THR 36.A OG1 no hydrogen 2.865 N/A HIS 39.A NE2 GLU 41.A OE1 no hydrogen 2.938 N/A LEU 40.A N ASP 124.A OD2 no hydrogen 2.909 N/A GLU 41.A N VAL 34.A O no hydrogen 2.778 N/A LEU 42.A N ILE 53.A O no hydrogen 2.844 N/A ARG 43.A N ALA 32.A O no hydrogen 2.887 N/A ARG 43.A NE GLU 41.A OE2 no hydrogen 2.764 N/A ARG 43.A NH1 GLU 7.A OE2 no hydrogen 2.868 N/A ARG 43.A NH2 GLU 7.A OE1 no hydrogen 2.847 N/A ARG 43.A NH2 GLU 7.A OE2 no hydrogen 3.483 N/A ARG 43.A NH2 GLU 41.A OE2 no hydrogen 3.052 N/A LYS 44.A NZ ASP 46.A OD1 no hydrogen 2.709 N/A LYS 44.A NZ ASP 46.A OD2 no hydrogen 3.294 N/A LYS 44.A NZ GLU 47.A OE1 no hydrogen 2.786 N/A ARG 45.A NH1 GLU 28.A O no hydrogen 2.588 N/A ARG 45.A NH1 ASN 30.A O no hydrogen 3.090 N/A GLU 47.A N LYS 44.A O no hydrogen 2.661 N/A LEU 50.A N GLU 47.A O no hydrogen 2.919 N/A GLY 51.A N PRO 48.A O no hydrogen 2.919 N/A ILE 53.A N LEU 42.A O no hydrogen 2.900 N/A VAL 58.A N ASP 56.A OD1 no hydrogen 2.887 N/A GLY 59.A N ASP 56.A OD1 no hydrogen 3.097 N/A GLY 59.A N ASP 56.A OD2 no hydrogen 3.191 N/A HIS 63.A N GLY 60.A O no hydrogen 3.118 N/A ARG 64.A N ALA 61.A O no hydrogen 2.990 N/A ARG 64.A NE GLU 73.A OE1 no hydrogen 3.293 N/A ARG 64.A NE GLU 73.A OE2 no hydrogen 2.855 N/A ARG 64.A NH2 GLU 73.A OE1 no hydrogen 2.656 N/A ARG 64.A NH2 ASP 99.A OD1 no hydrogen 3.071 N/A ARG 65.A NH1 GLU 134.A OE2 no hydrogen 3.253 N/A LYS 66.A N ALA 62.A O no hydrogen 3.092 N/A PHE 67.A N HIS 63.A O no hydrogen 2.815 N/A GLY 68.A N ARG 64.A O no hydrogen 2.596 N/A GLY 72.A N GLY 69.A O no hydrogen 2.974 N/A GLU 73.A N GLY 70.A O no hydrogen 2.926 N/A LYS 77.A N GLU 73.A O no hydrogen 3.077 N/A ALA 78.A N ALA 74.A O no hydrogen 2.988 N/A VAL 79.A N VAL 75.A O no hydrogen 3.155 N/A GLY 80.A N LYS 77.A O no hydrogen 3.058 N/A ILE 81.A N ALA 76.A O no hydrogen 3.113 N/A LYS 82.A N TYR 85.A O no hydrogen 3.450 N/A TYR 85.A N LYS 82.A O no hydrogen 2.812 N/A VAL 89.A N ARG 109.A O no hydrogen 2.831 N/A VAL 90.A N VAL 163.A O no hydrogen 3.048 N/A ASP 91.A N ARG 111.A O no hydrogen 2.835 N/A ALA 92.A N TYR 165.A O no hydrogen 3.194 N/A THR 93.A N ASP 91.A OD1 no hydrogen 3.041 N/A THR 93.A OG1 ASP 91.A OD1 no hydrogen 3.484 N/A ALA 94.A N LEU 112.A O no hydrogen 3.102 N/A GLY 95.A N GLU 113.A OE1 no hydrogen 2.666 N/A GLY 97.A N ALA 94.A O no hydrogen 2.773 N/A PHE 101.A N GLY 97.A O no hydrogen 2.882 N/A VAL 102.A N ARG 98.A O no hydrogen 3.281 N/A LEU 103.A N ASP 99.A O no hydrogen 3.070 N/A ALA 104.A N ALA 100.A O no hydrogen 3.003 N/A SER 105.A N PHE 101.A O no hydrogen 2.812 N/A SER 105.A OG PHE 101.A O no hydrogen 2.652 N/A VAL 106.A N VAL 102.A O no hydrogen 2.941 N/A GLY 107.A N ALA 104.A O no hydrogen 3.023 N/A CYS 108.A N LEU 103.A O no hydrogen 2.965 N/A CYS 108.A SG PRO 87.A O no hydrogen 3.306 N/A VAL 110.A N ARG 142.A O no hydrogen 2.606 N/A ARG 111.A N VAL 89.A O no hydrogen 2.856 N/A ARG 111.A NH1 PRO 159.A O no hydrogen 3.111 N/A ARG 111.A NH2 PRO 159.A O no hydrogen 2.887 N/A ARG 114.A NH1 ASP 190.A OD1 no hydrogen 2.783 N/A ARG 114.A NH1 ASP 190.A OD2 no hydrogen 2.848 N/A ARG 114.A NH2 ASP 188.A OD1 no hydrogen 2.942 N/A ARG 114.A NH2 ASP 190.A OD1 no hydrogen 2.822 N/A ASN 115.A N GLU 113.A OE2 no hydrogen 3.333 N/A VAL 118.A N ASN 115.A OD1 no hydrogen 2.936 N/A ALA 119.A N ASN 115.A O no hydrogen 2.832 N/A ALA 120.A N PRO 116.A O no hydrogen 2.932 N/A LEU 121.A N VAL 117.A O no hydrogen 3.267 N/A LEU 122.A N VAL 118.A O no hydrogen 3.031 N/A ASP 123.A N ALA 119.A O no hydrogen 2.970 N/A ASP 124.A N ALA 120.A O no hydrogen 3.167 N/A GLY 125.A N LEU 121.A O no hydrogen 3.131 N/A LEU 126.A N LEU 122.A O no hydrogen 2.803 N/A ALA 127.A N ASP 123.A O no hydrogen 2.926 N/A ARG 128.A N ASP 124.A O no hydrogen 3.101 N/A ARG 128.A NE ASP 124.A OD2 no hydrogen 3.118 N/A ARG 128.A NH1 VAL 55.A O no hydrogen 2.917 N/A ARG 128.A NH2 VAL 55.A O no hydrogen 2.758 N/A ARG 128.A NH2 ASP 124.A OD2 no hydrogen 2.720 N/A GLY 129.A N GLY 125.A O no hydrogen 2.766 N/A TYR 130.A N LEU 126.A O no hydrogen 2.841 N/A TYR 130.A OH LEU 143.A O no hydrogen 2.723 N/A ALA 131.A N ALA 127.A O no hydrogen 3.307 N/A ALA 131.A N ARG 128.A O no hydrogen 3.151 N/A ASP 132.A N GLY 129.A O no hydrogen 3.157 N/A ILE 135.A N ASP 132.A OD2 no hydrogen 2.855 N/A GLY 136.A N ASP 132.A O no hydrogen 2.805 N/A LEU 139.A N ILE 135.A O no hydrogen 2.883 N/A GLN 140.A N GLY 136.A O no hydrogen 3.272 N/A GLU 141.A N TRP 138.A O no hydrogen 3.255 N/A ARG 142.A N TRP 138.A O no hydrogen 2.858 N/A ARG 142.A NE ALA 104.A O no hydrogen 2.710 N/A ARG 142.A NH2 ALA 104.A O no hydrogen 3.047 N/A LEU 143.A N LEU 139.A O no hydrogen 2.910 N/A GLN 144.A N VAL 110.A O no hydrogen 3.188 N/A GLN 144.A NE2 GLN 140.A O no hydrogen 2.949 N/A HIS 147.A ND1 GLU 113.A O no hydrogen 3.197 N/A THR 152.A N SER 149.A O no hydrogen 3.140 N/A THR 152.A OG1 SER 149.A O no hydrogen 3.560 N/A ALA 153.A N SER 149.A O no hydrogen 2.741 N/A ARG 160.A NE LEU 201.A O no hydrogen 2.952 N/A ARG 160.A NH2 LEU 201.A O no hydrogen 3.289 N/A ARG 160.A NH2 ALA 202.A O no hydrogen 3.362 N/A ARG 160.A NH2 THR 239.A O no hydrogen 2.549 N/A VAL 163.A N ASP 88.A O no hydrogen 3.094 N/A VAL 164.A N ARG 205.A O no hydrogen 3.010 N/A TYR 165.A N VAL 90.A O no hydrogen 2.920 N/A TYR 165.A OH ASP 99.A OD2 no hydrogen 2.591 N/A LEU 166.A N VAL 207.A O no hydrogen 2.712 N/A ASP 167.A N THR 93.A OG1 no hydrogen 2.747 N/A ARG 179.A NE GLU 47.A OE1 no hydrogen 3.054 N/A ARG 179.A NE GLU 47.A OE2 no hydrogen 3.201 N/A ARG 179.A NH2 GLU 47.A OE2 no hydrogen 3.565 N/A VAL 180.A N LYS 177.A O no hydrogen 3.214 N/A SER 183.A N ARG 179.A O no hydrogen 3.034 N/A LEU 184.A N PHE 181.A O no hydrogen 2.664 N/A VAL 185.A N PHE 181.A O no hydrogen 2.963 N/A ALA 191.A N ASP 188.A O no hydrogen 3.076 N/A GLY 193.A N ASP 190.A O no hydrogen 2.856 N/A LEU 194.A N ALA 191.A O no hydrogen 2.881 N/A ALA 198.A N LEU 194.A O no hydrogen 3.070 N/A ARG 199.A N LEU 195.A O no hydrogen 2.927 N/A ARG 199.A NE ALA 237.A O no hydrogen 3.355 N/A LEU 200.A N GLU 196.A O no hydrogen 3.274 N/A LEU 201.A N PRO 197.A O no hydrogen 3.037 N/A ALA 202.A N ALA 198.A O no hydrogen 2.946 N/A THR 203.A N PRO 161.A O no hydrogen 3.214 N/A LYS 204.A N GLN 162.A O no hydrogen 2.929 N/A ARG 205.A N GLN 162.A O no hydrogen 3.032 N/A ARG 205.A NH1 ALA 78.A O no hydrogen 2.735 N/A VAL 206.A N TYR 236.A O no hydrogen 2.805 N/A VAL 207.A N VAL 164.A O no hydrogen 2.773 N/A VAL 208.A N ASP 234.A O no hydrogen 2.877 N/A LYS 209.A N LEU 166.A O no hydrogen 2.868 N/A ARG 210.A N ARG 232.A O no hydrogen 2.742 N/A ARG 210.A NE LYS 209.A O no hydrogen 3.083 N/A ARG 210.A NH1 PRO 215.A O no hydrogen 3.001 N/A ASP 212.A N GLY 230.A O no hydrogen 3.105 N/A ALA 214.A N PRO 211.A O no hydrogen 2.946 N/A ALA 218.A N ASP 192.A OD1 no hydrogen 2.853 N/A ASN 219.A N PRO 216.A O no hydrogen 3.021 N/A VAL 220.A N LEU 217.A O no hydrogen 3.115 N/A THR 222.A OG1 ASN 224.A O no hydrogen 3.521 N/A THR 222.A OG1 ILE 235.A O no hydrogen 2.683 N/A ASN 224.A N THR 222.A OG1 no hydrogen 3.351 N/A VAL 226.A N PHE 233.A O no hydrogen 2.917 N/A THR 228.A N HIS 231.A O no hydrogen 2.917 N/A ARG 232.A N ARG 210.A O no hydrogen 2.763 N/A ARG 232.A NE ASP 234.A OD1 no hydrogen 2.892 N/A ARG 232.A NH1 ALA 214.A O no hydrogen 3.052 N/A ARG 232.A NH2 ALA 214.A O no hydrogen 2.924 N/A ARG 232.A NH2 ASP 234.A OD2 no hydrogen 3.126 N/A PHE 233.A N VAL 226.A O no hydrogen 2.758 N/A ASP 234.A N VAL 208.A O no hydrogen 2.806 N/A ILE 235.A N ASN 224.A O no hydrogen 2.961 N/A TYR 236.A N VAL 206.A O no hydrogen 2.851 N/A TYR 236.A OH VAL 220.A O no hydrogen 2.625 N/A GLY 238.A N LYS 204.A O no hydrogen 3.185 N/A THR 239.A N ALA 202.A O no hydrogen 2.772 N/A THR 239.A OG1 ARG 199.A O no hydrogen 2.617 N/A