Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rqz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH1 ALA 24.A O no hydrogen 3.075 N/A ARG 3.A NH2 ALA 24.A O no hydrogen 2.756 N/A ARG 3.A NH2 ARG 26.A O no hydrogen 2.761 N/A ILE 4.A N PHE 200.A O no hydrogen 2.823 N/A LEU 5.A N ASP 29.A O no hydrogen 2.881 N/A ILE 6.A N ALA 198.A O no hydrogen 2.889 N/A ILE 7.A N TRP 31.A O no hydrogen 2.900 N/A SER 8.A OG ASP 9.A OD2 no hydrogen 2.645 N/A ASP 9.A N GLY 34.A O no hydrogen 2.983 N/A HIS 11.A N ASP 35.A O no hydrogen 2.793 N/A HIS 11.A ND1 VAL 37.A O no hydrogen 2.969 N/A ALA 12.A N ILE 36.A O no hydrogen 2.714 N/A ASN 13.A N VAL 10.A O no hydrogen 3.086 N/A ASN 13.A ND2 GLY 186.A O no hydrogen 3.043 N/A ASN 13.A ND2 TYR 214.A OH no hydrogen 3.046 N/A ALA 16.A N ASN 13.A OD1 no hydrogen 3.100 N/A LEU 17.A N ASN 13.A O no hydrogen 2.914 N/A GLU 18.A N LEU 14.A O no hydrogen 2.825 N/A ALA 19.A N VAL 15.A O no hydrogen 3.027 N/A VAL 20.A N ALA 16.A O no hydrogen 2.925 N/A LEU 21.A N LEU 17.A O no hydrogen 2.913 N/A SER 22.A N GLU 18.A O no hydrogen 3.091 N/A SER 22.A OG GLU 18.A O no hydrogen 2.728 N/A ASP 23.A N ALA 19.A O no hydrogen 2.905 N/A ALA 24.A N VAL 20.A O no hydrogen 2.806 N/A ARG 26.A NH1 ASP 28.A OD2 no hydrogen 3.525 N/A ASP 28.A N ARG 3.A O no hydrogen 2.618 N/A ILE 30.A N ASP 29.A OD1 no hydrogen 2.919 N/A TRP 31.A N LEU 5.A O no hydrogen 2.790 N/A SER 32.A N ILE 57.A O no hydrogen 3.001 N/A LEU 33.A N ILE 7.A O no hydrogen 2.854 N/A GLY 34.A N SER 32.A OG no hydrogen 3.302 N/A ASP 35.A N ASP 64.A OD2 no hydrogen 2.697 N/A VAL 37.A N ASP 64.A OD1 no hydrogen 3.250 N/A TYR 39.A OH HIS 63.A NE2 no hydrogen 3.347 N/A GLY 40.A N GLY 38.A O no hydrogen 2.834 N/A ARG 42.A N ALA 12.A O no hydrogen 2.900 N/A ARG 42.A NH1 PRO 41.A O no hydrogen 2.998 N/A ARG 44.A NH1 GLN 87.A O no hydrogen 2.948 N/A GLU 45.A N GLU 45.A OE1 no hydrogen 2.806 N/A CYS 46.A N ARG 42.A O no hydrogen 3.136 N/A CYS 46.A SG ARG 42.A O no hydrogen 3.438 N/A VAL 47.A N PRO 43.A O no hydrogen 3.016 N/A GLU 48.A N ARG 44.A O no hydrogen 2.914 N/A LEU 49.A N GLU 45.A O no hydrogen 3.058 N/A VAL 50.A N CYS 46.A O no hydrogen 2.988 N/A ARG 51.A N VAL 47.A O no hydrogen 2.946 N/A VAL 52.A N GLU 48.A O no hydrogen 3.421 N/A LEU 53.A N LEU 49.A O no hydrogen 2.938 N/A ALA 54.A N VAL 50.A O no hydrogen 2.872 N/A ASN 56.A ND2 ASP 29.A OD2 no hydrogen 2.938 N/A SER 58.A OG TYR 95.A OH no hydrogen 2.773 N/A VAL 59.A N SER 32.A O no hydrogen 2.993 N/A ILE 60.A N PRO 100.A O no hydrogen 3.073 N/A GLY 61.A N ASP 64.A OD2 no hydrogen 2.730 N/A HIS 63.A N ASP 35.A OD1 no hydrogen 2.812 N/A TRP 65.A N GLY 61.A O no hydrogen 3.029 N/A ALA 66.A N ASN 62.A O no hydrogen 2.908 N/A CYS 67.A N HIS 63.A O no hydrogen 3.049 N/A CYS 67.A N ASP 64.A O no hydrogen 3.224 N/A CYS 67.A SG HIS 63.A O no hydrogen 3.236 N/A GLY 69.A N ALA 66.A O no hydrogen 3.128 N/A ALA 78.A N ASN 75.A O no hydrogen 2.949 N/A ARG 79.A N PRO 76.A O no hydrogen 3.311 N/A PHE 80.A N VAL 77.A O no hydrogen 3.032 N/A TRP 84.A N PHE 80.A O no hydrogen 2.908 N/A THR 85.A N ALA 81.A O no hydrogen 3.127 N/A THR 85.A OG1 ALA 81.A O no hydrogen 3.094 N/A THR 86.A N.A SER 82.A O no hydrogen 3.367 N/A THR 86.A N.B SER 82.A O no hydrogen 3.402 N/A THR 86.A OG1.A SER 82.A O no hydrogen 2.975 N/A THR 86.A OG1.B TYR 83.A O no hydrogen 3.021 N/A LEU 88.A N THR 86.A O.A no hydrogen 3.188 N/A LEU 88.A N THR 86.A O.B no hydrogen 3.314 N/A GLN 89.A N HIS 92.A ND1 no hydrogen 3.055 N/A HIS 92.A NE2 GLU 48.A OE2 no hydrogen 2.755 N/A LEU 93.A N GLN 89.A O no hydrogen 3.022 N/A GLN 94.A N ALA 90.A O no hydrogen 2.800 N/A TYR 95.A N GLU 91.A O no hydrogen 3.095 N/A TYR 95.A OH SER 58.A OG no hydrogen 2.773 N/A LEU 96.A N HIS 92.A O no hydrogen 3.039 N/A GLU 97.A N LEU 93.A O no hydrogen 2.909 N/A SER 98.A N TYR 95.A O no hydrogen 3.007 N/A SER 98.A OG TYR 95.A O no hydrogen 2.655 N/A LEU 99.A N LEU 96.A O no hydrogen 3.171 N/A ARG 102.A NH2 PRO 114.A O no hydrogen 2.910 N/A ASP 104.A N TRP 107.A O no hydrogen 2.975 N/A TRP 107.A N ASP 104.A O no hydrogen 3.089 N/A THR 108.A N LEU 139.A O no hydrogen 2.946 N/A THR 108.A OG1 THR 137.A OG1 no hydrogen 2.812 N/A VAL 110.A N PHE 141.A O no hydrogen 3.097 N/A HIS 111.A ND1 LEU 33.A O no hydrogen 2.703 N/A GLY 112.A N PRO 117.A O no hydrogen 2.576 N/A SER 113.A OG GLU 120.A OE1 no hydrogen 2.607 N/A SER 113.A OG ASN 131.A OD1 no hydrogen 3.300 N/A ARG 115.A N ASN 131.A OD1 no hydrogen 2.954 N/A ARG 115.A NE GLU 120.A OE1 no hydrogen 3.316 N/A ARG 115.A NH1 GLU 120.A OE2 no hydrogen 2.652 N/A HIS 116.A N SER 113.A OG no hydrogen 2.967 N/A TRP 119.A N HIS 116.A O no hydrogen 3.070 N/A GLU 120.A N HIS 116.A O no hydrogen 3.177 N/A ILE 127.A N ASN 124.A OD1 no hydrogen 3.088 N/A ALA 128.A N ASN 124.A O no hydrogen 3.079 N/A ALA 129.A N ALA 125.A O no hydrogen 2.694 N/A LEU 130.A N ARG 126.A O.A no hydrogen 3.231 N/A LEU 130.A N ARG 126.A O.B no hydrogen 3.112 N/A ASN 131.A N ALA 128.A O no hydrogen 2.874 N/A ASN 131.A ND2 GLU 120.A OE1 no hydrogen 2.998 N/A ASN 131.A ND2 ILE 127.A O no hydrogen 3.042 N/A PHE 132.A N ALA 128.A O no hydrogen 3.102 N/A ALA 134.A N ASN 131.A O no hydrogen 2.950 N/A THR 137.A OG1 THR 108.A OG1 no hydrogen 2.812 N/A THR 137.A OG1 LEU 139.A O no hydrogen 2.815 N/A LEU 139.A N ASP 106.A O no hydrogen 3.004 N/A CYS 140.A N TYR 178.A O no hydrogen 2.960 N/A CYS 140.A SG THR 108.A O no hydrogen 3.784 N/A PHE 141.A N THR 108.A O no hydrogen 2.836 N/A VAL 142.A N ILE 180.A O no hydrogen 2.953 N/A GLY 143.A N HIS 111.A O no hydrogen 2.804 N/A HIS 144.A N ASP 9.A OD2 no hydrogen 2.933 N/A HIS 144.A NE2 TRP 119.A O no hydrogen 2.867 N/A THR 145.A N GLY 143.A O no hydrogen 2.891 N/A THR 145.A OG1 VAL 147.A O no hydrogen 3.328 N/A HIS 146.A ND1 GLN 187.A O no hydrogen 2.813 N/A VAL 147.A N THR 145.A OG1 no hydrogen 3.258 N/A LEU 149.A N ASN 181.A O no hydrogen 3.079 N/A TYR 150.A N HIS 163.A O no hydrogen 3.057 N/A TYR 150.A OH GLU 169.A OE2 no hydrogen 2.485 N/A ILE 151.A N ILE 179.A O no hydrogen 3.027 N/A ARG 152.A N GLU 155.A OE1 no hydrogen 2.866 N/A GLU 153.A N ARG 177.A O no hydrogen 2.935 N/A ALA 156.A N ARG 152.A O no hydrogen 2.985 N/A LEU 157.A N GLU 153.A O no hydrogen 2.916 N/A SER 158.A N ASP 154.A O no hydrogen 3.053 N/A SER 158.A N GLU 155.A O no hydrogen 3.116 N/A SER 158.A OG ASP 154.A O no hydrogen 2.913 N/A ASN 159.A N ALA 156.A O no hydrogen 3.060 N/A VAL 160.A N GLU 155.A O no hydrogen 2.776 N/A HIS 163.A N TYR 150.A O no hydrogen 2.847 N/A HIS 163.A NE2 GLU 155.A OE2 no hydrogen 2.658 N/A HIS 164.A NE2 ASP 190.A OD2 no hydrogen 2.684 N/A ASN 166.A N GLU 169.A OE1 no hydrogen 2.961 N/A GLY 168.A N PHE 209.A O no hydrogen 2.695 N/A GLU 169.A N ASN 166.A O no hydrogen 3.170 N/A LEU 171.A N VAL 207.A O no hydrogen 2.663 N/A VAL 173.A N GLN 205.A O no hydrogen 2.876 N/A SER 174.A N ASP 172.A OD1 no hydrogen 2.927 N/A SER 174.A OG ASP 172.A OD1 no hydrogen 2.625 N/A ARG 177.A NE THR 137.A O no hydrogen 3.323 N/A ARG 177.A NH1 PHE 132.A O no hydrogen 2.981 N/A ARG 177.A NH1 GLU 153.A OE2 no hydrogen 2.824 N/A ARG 177.A NH2 PHE 132.A O no hydrogen 3.382 N/A ARG 177.A NH2 PHE 135.A O no hydrogen 2.631 N/A ARG 177.A NH2 THR 137.A O no hydrogen 3.098 N/A TYR 178.A N PRO 138.A O no hydrogen 3.133 N/A ILE 179.A N ILE 151.A O no hydrogen 3.051 N/A ILE 180.A N CYS 140.A O no hydrogen 2.945 N/A ASN 181.A N LEU 149.A O no hydrogen 2.781 N/A ASN 181.A ND2 GLY 143.A O no hydrogen 2.923 N/A GLY 183.A N ASN 181.A OD1 no hydrogen 2.827 N/A VAL 185.A N SER 8.A O no hydrogen 2.855 N/A GLY 186.A N ASP 9.A O no hydrogen 2.919 N/A ARG 189.A N HIS 146.A O no hydrogen 3.131 N/A ARG 189.A NE GLN 187.A OE1 no hydrogen 2.968 N/A ARG 189.A NH2 TYR 39.A OH no hydrogen 3.343 N/A ARG 189.A NH2 GLN 187.A OE1 no hydrogen 2.872 N/A GLY 191.A N GLY 238.A O no hydrogen 2.714 N/A ASP 192.A N ASP 190.A OD1 no hydrogen 3.350 N/A ARG 194.A N ASP 192.A OD1 no hydrogen 3.125 N/A ARG 194.A NE ASP 192.A OD1 no hydrogen 3.004 N/A ARG 194.A NE ASP 192.A OD2 no hydrogen 3.193 N/A ARG 194.A NH2 ASP 192.A OD2 no hydrogen 2.744 N/A SER 196.A N ALA 184.A O no hydrogen 2.956 N/A SER 196.A OG PRO 182.A O no hydrogen 2.707 N/A TYR 197.A N HIS 210.A O no hydrogen 3.049 N/A TYR 197.A OH ASP 23.A OD2 no hydrogen 2.603 N/A ALA 198.A N ILE 6.A O no hydrogen 3.152 N/A ILE 199.A N THR 208.A O no hydrogen 2.783 N/A PHE 200.A N ILE 4.A O no hydrogen 2.830 N/A GLU 201.A N ARG 206.A O no hydrogen 2.904 N/A ALA 204.A N GLU 201.A O no hydrogen 3.054 N/A GLN 205.A N PRO 202.A O no hydrogen 3.081 N/A ARG 206.A N GLU 201.A O no hydrogen 3.268 N/A VAL 207.A N LEU 171.A O no hydrogen 2.813 N/A THR 208.A N ILE 199.A O no hydrogen 2.797 N/A PHE 209.A N GLU 169.A O no hydrogen 2.930 N/A HIS 210.A N TYR 197.A O no hydrogen 2.884 N/A ARG 211.A N ASP 167.A OD1 no hydrogen 2.695 N/A ARG 211.A NH1 ASP 190.A OD1 no hydrogen 3.083 N/A ARG 211.A NH1 ARG 194.A O no hydrogen 2.816 N/A ARG 211.A NH2 ASP 190.A OD1 no hydrogen 2.773 N/A VAL 212.A N ALA 195.A O no hydrogen 2.929 N/A ARG 215.A NE ASP 218.A OD2 no hydrogen 2.895 N/A ILE 216.A N TYR 214.A O no hydrogen 2.924 N/A ASP 218.A N ARG 215.A O no hydrogen 2.953 N/A THR 219.A N ARG 215.A O no hydrogen 3.454 N/A THR 219.A OG1 ASN 13.A OD1 no hydrogen 2.709 N/A GLN 220.A N ILE 216.A O no hydrogen 2.811 N/A GLN 220.A NE2 VAL 232.A O no hydrogen 2.804 N/A ALA 221.A N ALA 217.A O no hydrogen 2.809 N/A GLN 222.A N ASP 218.A O no hydrogen 2.983 N/A ARG 223.A NE GLU 229.A OE1 no hydrogen 3.248 N/A ARG 223.A NE GLU 229.A OE2 no hydrogen 3.358 N/A ARG 223.A NH1 GLU 229.A OE2 no hydrogen 2.632 N/A GLU 224.A N ALA 221.A O no hydrogen 2.903 N/A ALA 225.A N GLN 222.A O no hydrogen 3.129 N/A GLY 226.A N ARG 223.A O no hydrogen 3.150 N/A LEU 231.A N PRO 228.A O no hydrogen 3.050 N/A VAL 232.A N PRO 228.A O no hydrogen 3.334 N/A THR 233.A N.A GLU 229.A O no hydrogen 2.956 N/A THR 233.A N.B GLU 229.A O no hydrogen 2.974 N/A THR 233.A OG1.A GLU 229.A O no hydrogen 3.379 N/A THR 233.A OG1.B GLU 229.A O no hydrogen 3.162 N/A THR 233.A OG1.B SER 230.A O no hydrogen 3.550 N/A ARG 234.A N SER 230.A O no hydrogen 3.445 N/A ARG 234.A NE VAL 239.A O no hydrogen 2.887 N/A ALA 236.A N THR 233.A O.A no hydrogen 3.019 N/A ALA 236.A N THR 233.A O.B no hydrogen 3.172 N/A ALA 237.A N ARG 234.A O no hydrogen 3.050 N/A VAL 239.A N ARG 234.A O no hydrogen 3.267 N/A