Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cqh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N ASP 30.A OD2 no hydrogen 3.057 N/A GLY 5.A N TYR 217.A O no hydrogen 2.827 N/A ILE 6.A N PHE 31.A O no hydrogen 3.140 N/A TYR 7.A N ILE 219.A O no hydrogen 3.055 N/A GLU 8.A N GLU 33.A O no hydrogen 2.848 N/A LYS 9.A NZ ASP 36.A OD2 no hydrogen 2.769 N/A ALA 10.A N TYR 7.A O no hydrogen 2.934 N/A LEU 11.A N GLU 8.A O no hydrogen 2.995 N/A TRP 17.A N GLU 15.A O no hydrogen 2.881 N/A TRP 17.A NE1 GLU 15.A OE1 no hydrogen 3.079 N/A GLU 19.A N GLU 19.A OE1 no hydrogen 2.800 N/A ARG 20.A N CYS 16.A O no hydrogen 3.048 N/A ARG 20.A NH1 GLY 14.A O no hydrogen 3.044 N/A ARG 20.A NH2 PRO 12.A O no hydrogen 2.983 N/A ARG 20.A NH2 GLY 14.A O no hydrogen 2.663 N/A LEU 21.A N TRP 17.A O no hydrogen 2.973 N/A GLN 22.A N LEU 18.A O no hydrogen 2.847 N/A LEU 23.A N GLU 19.A O no hydrogen 2.866 N/A ALA 24.A N ARG 20.A O no hydrogen 3.033 N/A LYS 25.A N LEU 21.A O no hydrogen 3.079 N/A LYS 25.A NZ THR 62.A O no hydrogen 2.811 N/A THR 26.A N GLN 22.A O no hydrogen 3.056 N/A THR 26.A OG1 GLN 22.A O no hydrogen 2.942 N/A LEU 27.A N LEU 23.A O no hydrogen 2.948 N/A GLY 28.A N LYS 25.A O no hydrogen 2.861 N/A PHE 29.A N ALA 24.A O no hydrogen 2.850 N/A ASP 30.A N LEU 4.A O no hydrogen 2.934 N/A VAL 32.A N ARG 65.A O no hydrogen 2.926 N/A GLU 33.A N ILE 6.A O no hydrogen 3.225 N/A SER 34.A N GLU 8.A OE1 no hydrogen 2.880 N/A SER 34.A OG TYR 7.A OH no hydrogen 3.379 N/A VAL 35.A N CYS 69.A O no hydrogen 3.036 N/A THR 38.A N ASP 36.A OD1 no hydrogen 2.872 N/A THR 38.A OG1 ASP 36.A OD1 no hydrogen 2.742 N/A ARG 41.A N THR 38.A OG1 no hydrogen 3.191 N/A ARG 41.A NE GLU 8.A OE2 no hydrogen 3.292 N/A ARG 41.A NH1 ASP 36.A OD2 no hydrogen 2.944 N/A LEU 42.A N THR 38.A O no hydrogen 2.853 N/A SER 43.A N ASP 39.A O no hydrogen 2.804 N/A SER 43.A OG ASP 39.A O no hydrogen 3.164 N/A SER 43.A OG GLU 40.A O no hydrogen 2.994 N/A ARG 44.A N ARG 41.A O no hydrogen 3.108 N/A ARG 44.A NE GLU 15.A OE2 no hydrogen 3.043 N/A ARG 44.A NH1 GLU 8.A OE1 no hydrogen 2.674 N/A ARG 44.A NH1 GLU 8.A OE2 no hydrogen 3.274 N/A ARG 44.A NH2 GLU 8.A OE2 no hydrogen 2.648 N/A ARG 44.A NH2 GLU 15.A OE1 no hydrogen 3.411 N/A LEU 45.A N LEU 42.A O no hydrogen 3.086 N/A ASP 46.A N SER 43.A O no hydrogen 2.818 N/A TRP 47.A N ARG 44.A O no hydrogen 2.944 N/A SER 48.A N GLN 51.A OE1 no hydrogen 2.625 N/A SER 48.A OG GLN 51.A OE1 no hydrogen 3.310 N/A GLN 51.A N SER 48.A OG no hydrogen 3.094 N/A ARG 52.A N SER 48.A O no hydrogen 3.103 N/A ARG 52.A NE TRP 47.A O no hydrogen 2.884 N/A ARG 52.A NH1 ASP 101.A OD2 no hydrogen 2.766 N/A ARG 52.A NH2 LEU 45.A O no hydrogen 3.114 N/A ARG 52.A NH2 TRP 47.A O no hydrogen 3.081 N/A LEU 53.A N ARG 49.A O no hydrogen 3.015 N/A ALA 54.A N GLU 50.A O no hydrogen 2.995 N/A LEU 55.A N GLN 51.A O no hydrogen 3.402 N/A VAL 56.A N ARG 52.A O no hydrogen 3.103 N/A ASN 57.A N LEU 53.A O no hydrogen 2.927 N/A ALA 58.A N ALA 54.A O no hydrogen 3.295 N/A ILE 59.A N LEU 55.A O no hydrogen 2.939 N/A VAL 60.A N VAL 56.A O no hydrogen 2.846 N/A GLU 61.A N ASN 57.A O no hydrogen 2.802 N/A THR 62.A N ALA 58.A O no hydrogen 2.935 N/A THR 62.A OG1 ALA 58.A O no hydrogen 2.669 N/A THR 62.A OG1 ILE 59.A O no hydrogen 3.352 N/A GLY 63.A N ILE 59.A O no hydrogen 2.811 N/A VAL 64.A N THR 62.A OG1 no hydrogen 3.161 N/A ARG 65.A N ASP 30.A O no hydrogen 3.218 N/A SER 68.A OG GLU 33.A OE2 no hydrogen 2.653 N/A CYS 69.A SG TYR 7.A OH no hydrogen 3.771 N/A CYS 69.A SG GLN 108.A OE1 no hydrogen 3.521 N/A LEU 70.A N GLN 108.A O no hydrogen 2.923 N/A SER 71.A N VAL 35.A O no hydrogen 2.917 N/A ALA 72.A N VAL 35.A O no hydrogen 3.258 N/A HIS 73.A NE2 GLY 89.A O no hydrogen 2.666 N/A ARG 74.A N SER 71.A O no hydrogen 2.967 N/A ARG 75.A N ALA 72.A O no hydrogen 3.265 N/A PHE 76.A N ALA 72.A O no hydrogen 3.466 N/A SER 80.A N PRO 77.A O no hydrogen 3.204 N/A ASP 82.A N SER 80.A OG no hydrogen 3.104 N/A ALA 84.A N ASP 82.A OD1 no hydrogen 3.087 N/A ARG 86.A N ASP 82.A O no hydrogen 3.029 N/A ARG 86.A NH1 SER 80.A O no hydrogen 2.850 N/A ARG 86.A NH1 GLU 81.A O no hydrogen 3.320 N/A ARG 86.A NH1 ASP 83.A OD1 no hydrogen 2.886 N/A ARG 86.A NH2 ASP 83.A OD1 no hydrogen 2.884 N/A ALA 87.A N ASP 83.A O no hydrogen 3.138 N/A GLN 88.A N ALA 84.A O no hydrogen 2.983 N/A GLY 89.A N VAL 85.A O no hydrogen 2.858 N/A LEU 90.A N ARG 86.A O no hydrogen 3.051 N/A GLU 91.A N ALA 87.A O no hydrogen 2.949 N/A ILE 92.A N GLN 88.A O no hydrogen 3.093 N/A ARG 93.A NE GLU 91.A OE1 no hydrogen 3.334 N/A ARG 93.A NE GLU 91.A OE2 no hydrogen 3.191 N/A ARG 93.A NH2 GLU 91.A OE2 no hydrogen 2.397 N/A LYS 94.A N GLU 91.A O no hydrogen 2.881 N/A ALA 95.A N ILE 92.A O no hydrogen 2.751 N/A GLN 97.A N ARG 93.A O no hydrogen 3.005 N/A PHE 98.A N LYS 94.A O no hydrogen 2.975 N/A ALA 99.A N ALA 95.A O no hydrogen 2.993 N/A GLN 100.A N ILE 96.A O no hydrogen 3.011 N/A GLN 100.A NE2 ILE 96.A O no hydrogen 3.670 N/A ASP 101.A N GLN 97.A O no hydrogen 3.024 N/A VAL 102.A N PHE 98.A O no hydrogen 2.889 N/A ILE 104.A N ALA 99.A O no hydrogen 2.942 N/A ARG 105.A N PRO 67.A O no hydrogen 2.813 N/A VAL 106.A N PRO 67.A O no hydrogen 2.951 N/A ILE 107.A N THR 143.A O no hydrogen 2.793 N/A LEU 109.A N ALA 145.A O no hydrogen 2.814 N/A ALA 110.A N LEU 70.A O no hydrogen 3.235 N/A TYR 112.A N LEU 109.A O no hydrogen 3.371 N/A TYR 112.A OH HIS 73.A ND1 no hydrogen 3.042 N/A TYR 115.A N GLY 111.A O no hydrogen 2.939 N/A TYR 116.A N TYR 112.A O no hydrogen 2.888 N/A GLN 117.A N ASP 113.A O no hydrogen 2.801 N/A GLU 118.A N VAL 114.A O no hydrogen 2.975 N/A ALA 119.A N TYR 115.A O no hydrogen 2.928 N/A THR 123.A N ASN 120.A OD1 no hydrogen 3.109 N/A THR 123.A OG1 ASN 120.A OD1 no hydrogen 2.875 N/A ARG 124.A N ASN 120.A O no hydrogen 3.029 N/A ARG 124.A NE TYR 116.A O no hydrogen 2.970 N/A ARG 124.A NH2 TYR 116.A O no hydrogen 3.372 N/A ARG 124.A NH2 GLN 117.A O no hydrogen 2.887 N/A ARG 125.A N ASN 121.A O no hydrogen 3.059 N/A ARG 125.A NE GLU 122.A OE2 no hydrogen 3.350 N/A ARG 125.A NH2 GLU 122.A OE1 no hydrogen 2.952 N/A ARG 126.A N GLU 122.A O no hydrogen 3.093 N/A ARG 126.A NE GLY 79.A O no hydrogen 2.942 N/A ARG 126.A NH2 GLY 79.A O no hydrogen 3.271 N/A PHE 127.A N THR 123.A O no hydrogen 2.823 N/A ARG 128.A N ARG 124.A O no hydrogen 2.894 N/A ARG 128.A NE TYR 116.A OH no hydrogen 3.230 N/A ASP 129.A N ARG 125.A O no hydrogen 3.254 N/A GLY 130.A N ARG 126.A O no hydrogen 3.040 N/A LEU 131.A N PHE 127.A O no hydrogen 2.864 N/A LYS 132.A N ARG 128.A O no hydrogen 2.995 N/A LYS 132.A NZ GLU 136.A OE2 no hydrogen 2.787 N/A GLU 133.A N ASP 129.A O no hydrogen 3.030 N/A SER 134.A N GLY 130.A O no hydrogen 2.898 N/A SER 134.A OG GLY 130.A O no hydrogen 2.892 N/A VAL 135.A N LEU 131.A O no hydrogen 2.881 N/A GLU 136.A N LYS 132.A O no hydrogen 3.026 N/A SER 138.A N VAL 135.A O no hydrogen 2.968 N/A SER 138.A OG VAL 135.A O no hydrogen 2.662 N/A ARG 139.A N GLU 136.A O no hydrogen 3.138 N/A VAL 142.A N ALA 137.A O no hydrogen 2.978 N/A THR 143.A N ARG 105.A O no hydrogen 3.444 N/A LEU 144.A N TRP 152.A O no hydrogen 2.743 N/A ALA 145.A N ILE 107.A O no hydrogen 2.954 N/A ILE 147.A N GLU 146.A OE2 no hydrogen 3.033 N/A ASN 150.A ND2 SER 138.A OG no hydrogen 3.014 N/A TRP 152.A N ASN 150.A OD1 no hydrogen 2.787 N/A PHE 153.A N ASN 150.A O no hydrogen 3.281 N/A GLN 154.A N LEU 144.A O no hydrogen 2.899 N/A GLN 154.A NE2 PRO 151.A O no hydrogen 2.827 N/A LEU 155.A N HIS 175.A O no hydrogen 2.749 N/A TYR 156.A OH GLU 33.A OE2 no hydrogen 2.569 N/A ASP 158.A N GLU 146.A OE1 no hydrogen 3.103 N/A ASP 158.A N GLU 146.A OE2 no hydrogen 3.223 N/A ILE 159.A N HIS 180.A O no hydrogen 3.084 N/A ASN 161.A N ASP 158.A OD1 no hydrogen 2.844 N/A LEU 162.A N ASP 158.A O no hydrogen 2.920 N/A SER 163.A N ILE 159.A O no hydrogen 3.250 N/A SER 163.A OG ILE 159.A O no hydrogen 2.772 N/A ALA 164.A N GLY 160.A O no hydrogen 3.225 N/A TRP 165.A N ASN 161.A O no hydrogen 3.064 N/A LEU 169.A N VAL 166.A O no hydrogen 3.150 N/A GLN 170.A N GLN 167.A O no hydrogen 3.195 N/A GLY 172.A N GLU 168.A O no hydrogen 2.989 N/A HIS 175.A N GLY 172.A O no hydrogen 2.831 N/A HIS 175.A ND1 GLN 154.A OE1 no hydrogen 2.822 N/A ILE 176.A N ILE 173.A O no hydrogen 3.268 N/A VAL 177.A N LEU 155.A O no hydrogen 3.021 N/A VAL 179.A N PRO 216.A O no hydrogen 3.275 N/A HIS 180.A N PRO 157.A O no hydrogen 2.845 N/A HIS 180.A NE2 GLU 33.A OE1 no hydrogen 2.587 N/A VAL 181.A N LEU 218.A O no hydrogen 2.854 N/A LYS 182.A NZ ASN 161.A OD1 no hydrogen 3.095 N/A LYS 182.A NZ PHE 189.A O no hydrogen 2.485 N/A THR 184.A OG1 GLY 160.A O no hydrogen 2.706 N/A LYS 185.A N VAL 188.A O no hydrogen 3.494 N/A VAL 188.A N LYS 185.A O no hydrogen 2.749 N/A GLY 195.A N ASP 183.A OD2 no hydrogen 2.798 N/A GLU 196.A N PRO 193.A O no hydrogen 2.955 N/A GLY 197.A N ASP 183.A OD2 no hydrogen 2.894 N/A VAL 198.A N THR 184.A O no hydrogen 2.623 N/A VAL 199.A N ASP 183.A OD1 no hydrogen 3.273 N/A ARG 203.A N ASP 200.A OD1 no hydrogen 3.198 N/A CYS 204.A N ASP 200.A O no hydrogen 3.052 N/A CYS 204.A SG ASP 200.A O no hydrogen 3.548 N/A PHE 205.A N PHE 201.A O no hydrogen 2.828 N/A GLU 206.A N GLU 202.A O no hydrogen 2.815 N/A THR 207.A N ARG 203.A O no hydrogen 2.863 N/A THR 207.A OG1 GLN 167.A OE1 no hydrogen 2.603 N/A THR 207.A OG1 ARG 203.A O no hydrogen 2.922 N/A LEU 208.A N CYS 204.A O no hydrogen 3.014 N/A LYS 209.A N PHE 205.A O no hydrogen 2.797 N/A GLN 210.A N GLU 206.A O no hydrogen 2.855 N/A SER 211.A N THR 207.A O no hydrogen 3.073 N/A SER 211.A OG THR 207.A O no hydrogen 2.654 N/A GLY 212.A N LYS 209.A O no hydrogen 2.998 N/A TYR 213.A N LEU 208.A O no hydrogen 3.063 N/A TYR 213.A OH PRO 216.A O no hydrogen 2.765 N/A CYS 214.A SG.A GLY 212.A O no hydrogen 3.664 N/A CYS 214.A SG.B GLY 212.A O no hydrogen 3.940 N/A TYR 217.A N PRO 3.A O no hydrogen 2.904 N/A LEU 218.A N VAL 179.A O no hydrogen 2.863 N/A ILE 219.A N GLY 5.A O no hydrogen 2.962 N/A GLU 220.A N VAL 181.A O no hydrogen 3.007 N/A SER 222.A OG ALA 10.A O no hydrogen 2.932 N/A GLU 223.A N LYS 9.A O no hydrogen 3.026 N/A ALA 225.A N SER 222.A O no hydrogen 2.870 N/A ALA 230.A N ASP 227.A OD1 no hydrogen 3.490 N/A GLU 231.A N ASP 227.A O no hydrogen 3.370 N/A VAL 232.A N PRO 228.A O no hydrogen 2.922 N/A ALA 233.A N ALA 229.A O no hydrogen 3.083 N/A LYS 234.A N ALA 230.A O no hydrogen 3.195 N/A ALA 235.A N GLU 231.A O no hydrogen 3.136 N/A ARG 236.A N VAL 232.A O no hydrogen 2.802 N/A ARG 236.A NE ASP 237.A OD1 no hydrogen 3.056 N/A ARG 236.A NH1 LEU 27.A O no hydrogen 2.733 N/A ARG 236.A NH2 ASP 237.A OD1 no hydrogen 3.014 N/A ARG 236.A NH2 ASP 237.A OD2 no hydrogen 3.534 N/A ASP 237.A N ALA 233.A O no hydrogen 3.030 N/A TRP 238.A N LYS 234.A O no hydrogen 2.981 N/A VAL 239.A N ALA 235.A O no hydrogen 2.807 N/A LYS 240.A N ARG 236.A O no hydrogen 2.925 N/A ALA 241.A N ASP 237.A O no hydrogen 2.943 N/A ARG 242.A N TRP 238.A O no hydrogen 3.323 N/A LYS 244.A N ALA 241.A O no hydrogen 3.056 N/A LYS 244.A NZ ALA 241.A O no hydrogen 2.776 N/A ALA 245.A N ARG 242.A O no hydrogen 3.117 N/A GLY 246.A N ALA 243.A O no hydrogen 3.170 N/A