Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hit_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A N ARG 53.A O no hydrogen 2.967 N/A TYR 4.A OH ASP 26.A OD1 no hydrogen 2.490 N/A LEU 6.A N ASN 55.A O no hydrogen 2.970 N/A LEU 8.A N LYS 57.A O no hydrogen 2.818 N/A GLN 9.A N ASN 7.A OD1 no hydrogen 2.907 N/A THR 11.A OG1 ASN 7.A O no hydrogen 2.661 N/A THR 12.A N GLN 15.A OE1 no hydrogen 3.274 N/A GLN 15.A N THR 12.A OG1 no hydrogen 3.314 N/A TYR 16.A N THR 12.A O no hydrogen 3.212 N/A TYR 16.A OH MET 171.A O no hydrogen 2.702 N/A SER 17.A N LYS 13.A O no hydrogen 2.959 N/A SER 17.A OG LYS 13.A O no hydrogen 3.423 N/A SER 17.A OG GLU 182.A OE2 no hydrogen 2.670 N/A THR 18.A N ALA 14.A O no hydrogen 2.716 N/A THR 18.A OG1 ALA 14.A O no hydrogen 2.762 N/A PHE 19.A N GLN 15.A O no hydrogen 2.896 N/A LEU 20.A N TYR 16.A O no hydrogen 3.105 N/A LYS 21.A N SER 17.A O no hydrogen 3.064 N/A LYS 21.A NZ ASP 25.A OD2 no hydrogen 2.923 N/A GLN 22.A N THR 18.A O no hydrogen 2.918 N/A LEU 23.A N PHE 19.A O no hydrogen 3.252 N/A ARG 24.A N LEU 20.A O no hydrogen 3.046 N/A ARG 24.A NE ALA 176.A O no hydrogen 2.863 N/A ARG 24.A NH1 GLU 182.A OE1 no hydrogen 3.512 N/A ARG 24.A NH2 ALA 175.A O no hydrogen 3.086 N/A ARG 24.A NH2 GLU 182.A OE1 no hydrogen 2.601 N/A ASP 25.A N LYS 21.A O no hydrogen 2.858 N/A ASP 26.A N GLN 22.A O no hydrogen 3.154 N/A ILE 27.A N ARG 24.A O no hydrogen 3.247 N/A LYS 28.A N ARG 24.A O no hydrogen 2.971 N/A LYS 28.A NZ ASP 25.A OD1 no hydrogen 3.047 N/A ASP 29.A N VAL 41.A O no hydrogen 2.802 N/A ASN 31.A N ASP 29.A OD1 no hydrogen 2.757 N/A LEU 32.A N ASP 29.A OD1 no hydrogen 2.789 N/A HIS 33.A ND1 LEU 39.A O no hydrogen 2.875 N/A TYR 34.A OH ASP 257.A OD2 no hydrogen 2.765 N/A THR 37.A N TYR 34.A O no hydrogen 3.110 N/A THR 37.A OG1 TYR 34.A O no hydrogen 2.772 N/A ILE 42.A N PHE 253.A O no hydrogen 3.118 N/A LYS 43.A N ILE 27.A O no hydrogen 2.930 N/A LYS 50.A NZ GLN 95.A O no hydrogen 3.106 N/A LEU 52.A N VAL 67.A O no hydrogen 2.881 N/A ARG 53.A N ILE 2.A O no hydrogen 3.088 N/A ARG 53.A NE ASN 55.A OD1 no hydrogen 2.729 N/A ARG 53.A NH1 LEU 104.A O no hydrogen 2.890 N/A ARG 53.A NH1 GLU 107.A OE1 no hydrogen 3.038 N/A ARG 53.A NH1 GLU 107.A OE2 no hydrogen 3.359 N/A ARG 53.A NH2 ASN 55.A OD1 no hydrogen 3.468 N/A ARG 53.A NH2 GLU 107.A OE2 no hydrogen 2.737 N/A VAL 54.A N LEU 65.A O no hydrogen 2.968 N/A ASN 55.A N TYR 4.A O no hydrogen 2.822 N/A ASN 55.A ND2 GLU 5.A OE2 no hydrogen 2.884 N/A LEU 56.A N VAL 63.A O no hydrogen 2.702 N/A LYS 57.A N LEU 6.A O no hydrogen 2.931 N/A LYS 57.A NZ GLU 5.A OE1 no hydrogen 2.879 N/A ALA 58.A N GLY 61.A O no hydrogen 3.234 N/A VAL 63.A N LEU 56.A O no hydrogen 3.060 N/A SER 64.A N LEU 78.A O no hydrogen 3.040 N/A SER 64.A OG ASN 55.A OD1 no hydrogen 2.648 N/A LEU 65.A N VAL 54.A O no hydrogen 2.801 N/A ALA 66.A N ALA 76.A O no hydrogen 2.868 N/A VAL 67.A N LEU 52.A O no hydrogen 2.969 N/A GLN 68.A N TYR 73.A O no hydrogen 2.803 N/A GLN 68.A NE2 SER 70.A OG no hydrogen 3.054 N/A ARG 69.A N LYS 50.A O no hydrogen 2.847 N/A ARG 69.A NE ASP 26.A OD2 no hydrogen 2.807 N/A ARG 69.A NH1 VAL 46.A O no hydrogen 3.172 N/A ARG 69.A NH1 PRO 49.A O no hydrogen 3.012 N/A ARG 69.A NH2 ASP 26.A O no hydrogen 3.041 N/A ARG 69.A NH2 ASP 26.A OD2 no hydrogen 3.053 N/A ALA 75.A N ALA 66.A O no hydrogen 2.838 N/A TYR 77.A N TYR 89.A O no hydrogen 2.951 N/A TYR 77.A OH GLU 161.A OE1 no hydrogen 2.770 N/A LEU 78.A N SER 64.A O no hydrogen 2.731 N/A ALA 79.A N ARG 87.A O no hydrogen 3.040 N/A LYS 80.A NZ THR 60.A O no hydrogen 3.063 N/A ASN 81.A N GLN 85.A O no hydrogen 2.813 N/A LYS 84.A N ASN 81.A O no hydrogen 3.043 N/A LYS 84.A NZ GLY 153.A O no hydrogen 2.930 N/A GLN 85.A N ASN 81.A OD1 no hydrogen 2.817 N/A ARG 87.A N ALA 79.A O no hydrogen 2.989 N/A ARG 87.A NH1 GLN 115.A OE1 no hydrogen 2.766 N/A ALA 88.A N ASN 113.A O no hydrogen 2.952 N/A TYR 89.A N TYR 77.A O no hydrogen 2.960 N/A TYR 90.A N GLN 115.A O no hydrogen 3.002 N/A PHE 91.A N ALA 75.A O no hydrogen 3.144 N/A LYS 92.A N TYR 119.A O no hydrogen 2.946 N/A GLY 93.A N GLU 116.A OE2 no hydrogen 3.102 N/A PHE 94.A N PHE 91.A O no hydrogen 3.127 N/A ILE 96.A N PHE 94.A O no hydrogen 2.833 N/A THR 97.A N GLN 100.A OE1 no hydrogen 2.961 N/A THR 97.A OG1 GLN 100.A OE1 no hydrogen 3.493 N/A GLN 100.A N THR 97.A OG1 no hydrogen 3.133 N/A LEU 101.A N THR 97.A O no hydrogen 3.016 N/A ASN 102.A N THR 98.A O no hydrogen 2.864 N/A ASN 103.A N ASN 99.A O no hydrogen 3.029 N/A LEU 104.A N GLN 100.A O no hydrogen 2.781 N/A PHE 105.A N LEU 101.A O no hydrogen 2.761 N/A GLU 107.A N GLU 107.A OE1 no hydrogen 2.741 N/A ALA 108.A N PHE 105.A O no hydrogen 2.831 N/A THR 109.A OG1 PRO 106.A O no hydrogen 2.708 N/A GLY 110.A N ASN 102.A OD1 no hydrogen 2.672 N/A ASN 113.A N GLY 110.A O no hydrogen 3.055 N/A ASN 113.A ND2 THR 109.A O no hydrogen 2.830 N/A GLN 114.A N VAL 111.A O no hydrogen 3.263 N/A GLN 114.A NE2 THR 98.A OG1 no hydrogen 3.172 N/A GLN 115.A N ALA 88.A O no hydrogen 2.787 N/A LEU 117.A N TYR 90.A O no hydrogen 2.877 N/A TYR 119.A OH GLU 161.A OE2 no hydrogen 2.661 N/A GLY 120.A N GLN 125.A OE1 no hydrogen 2.841 N/A GLU 121.A N GLU 121.A OE1 no hydrogen 2.711 N/A TYR 123.A OH GLU 174.A OE2 no hydrogen 2.632 N/A ILE 126.A N SER 122.A O no hydrogen 2.961 N/A GLN 127.A N TYR 123.A O no hydrogen 2.820 N/A ASN 128.A N PRO 124.A O no hydrogen 2.990 N/A ALA 129.A N GLN 125.A O no hydrogen 3.099 N/A ALA 130.A N ILE 126.A O no hydrogen 2.825 N/A GLY 131.A N GLN 127.A O no hydrogen 2.803 N/A GLY 131.A N ASN 128.A O no hydrogen 3.335 N/A VAL 132.A N GLN 127.A O no hydrogen 3.332 N/A THR 133.A N GLN 136.A OE1 no hydrogen 3.280 N/A ARG 134.A N GLN 127.A OE1 no hydrogen 3.030 N/A ARG 134.A NE GLN 127.A OE1 no hydrogen 3.326 N/A ARG 134.A NH1 GLU 206.A OE1 no hydrogen 2.851 N/A ARG 134.A NH1 ASN 207.A OD1 no hydrogen 3.273 N/A ARG 134.A NH2 ASN 207.A OD1 no hydrogen 2.817 N/A GLN 135.A N GLN 135.A OE1 no hydrogen 2.740 N/A GLN 135.A NE2 ALA 234.A O no hydrogen 2.911 N/A ALA 137.A N THR 133.A O no hydrogen 2.976 N/A LEU 139.A N VAL 195.A O no hydrogen 2.858 N/A LYS 142.A N GLU 194.A OE2 no hydrogen 2.735 N/A LYS 142.A NZ THR 191.A O no hydrogen 2.892 N/A LYS 142.A NZ GLU 194.A OE2 no hydrogen 3.101 N/A LYS 143.A N GLU 194.A OE1 no hydrogen 2.891 N/A LYS 143.A NZ LYS 193.A O no hydrogen 3.355 N/A LYS 143.A NZ GLU 196.A OE1 no hydrogen 3.147 N/A LEU 144.A N GLY 140.A O no hydrogen 2.962 N/A ALA 145.A N ILE 141.A O no hydrogen 2.907 N/A GLU 146.A N LYS 142.A O no hydrogen 2.861 N/A SER 147.A N LYS 143.A O no hydrogen 2.967 N/A SER 147.A OG LYS 143.A O no hydrogen 3.515 N/A SER 147.A OG LEU 144.A O no hydrogen 2.861 N/A MET 148.A N LEU 144.A O no hydrogen 2.887 N/A MET 148.A N ALA 145.A O no hydrogen 3.143 N/A THR 149.A N ALA 145.A O no hydrogen 3.244 N/A THR 149.A N GLU 146.A O no hydrogen 3.230 N/A THR 149.A OG1 GLU 146.A O no hydrogen 2.517 N/A LYS 150.A N SER 147.A O no hydrogen 3.300 N/A LYS 150.A NZ GLU 146.A OE1 no hydrogen 3.316 N/A VAL 151.A N MET 148.A O no hydrogen 2.898 N/A ASN 152.A N MET 148.A O no hydrogen 3.028 N/A ASN 152.A ND2 GLY 61.A O no hydrogen 2.927 N/A GLY 153.A N LYS 80.A O no hydrogen 2.954 N/A ARG 156.A NE GLU 161.A OE1 no hydrogen 2.599 N/A ARG 156.A NH2 GLU 161.A OE1 no hydrogen 3.387 N/A ARG 156.A NH2 GLU 161.A OE2 no hydrogen 2.914 N/A GLU 161.A N VAL 157.A O no hydrogen 2.932 N/A ALA 162.A N GLU 158.A O no hydrogen 2.865 N/A LEU 163.A N LYS 159.A O no hydrogen 3.216 N/A PHE 164.A N ASP 160.A O no hydrogen 3.022 N/A LEU 165.A N GLU 161.A O no hydrogen 2.976 N/A LEU 166.A N ALA 162.A O no hydrogen 2.827 N/A ILE 167.A N LEU 163.A O no hydrogen 3.080 N/A VAL 168.A N PHE 164.A O no hydrogen 2.817 N/A VAL 169.A N LEU 165.A O no hydrogen 2.953 N/A GLN 170.A N ILE 167.A O no hydrogen 3.021 N/A GLN 170.A NE2 GLU 206.A OE2 no hydrogen 2.638 N/A MET 171.A N ILE 167.A O no hydrogen 2.769 N/A VAL 172.A N VAL 168.A O no hydrogen 2.770 N/A GLU 174.A N VAL 169.A O no hydrogen 2.849 N/A ALA 175.A N GLN 170.A O no hydrogen 2.956 N/A ALA 176.A N VAL 172.A O no hydrogen 3.271 N/A ARG 177.A N GLY 173.A O no hydrogen 3.057 N/A ARG 177.A NH1 GLU 174.A OE1 no hydrogen 2.863 N/A ARG 177.A NH2 ASN 71.A O no hydrogen 2.755 N/A PHE 178.A N GLU 174.A O no hydrogen 2.836 N/A TYR 180.A N GLU 249.A O no hydrogen 2.907 N/A ILE 181.A N PHE 178.A O no hydrogen 3.144 N/A GLU 182.A N PHE 178.A O no hydrogen 3.253 N/A ASN 183.A N LYS 179.A O no hydrogen 2.616 N/A ASN 183.A ND2 GLU 249.A OE1 no hydrogen 2.959 N/A LEU 184.A N TYR 180.A O no hydrogen 3.133 N/A VAL 185.A N ILE 181.A O no hydrogen 3.157 N/A LEU 186.A N GLU 182.A O no hydrogen 2.972 N/A ASN 187.A N ASN 183.A O no hydrogen 2.716 N/A ASN 188.A N VAL 185.A O no hydrogen 3.152 N/A ASN 188.A ND2 LEU 184.A O no hydrogen 2.848 N/A LYS 193.A NZ GLU 196.A OE1 no hydrogen 3.092 N/A GLU 194.A N THR 191.A OG1 no hydrogen 3.136 N/A VAL 195.A N LEU 139.A O no hydrogen 3.023 N/A VAL 198.A N GLN 135.A O no hydrogen 3.058 N/A VAL 202.A N PRO 199.A O no hydrogen 3.203 N/A ILE 203.A N PRO 199.A O no hydrogen 3.507 N/A ILE 204.A N ASP 200.A O no hydrogen 2.978 N/A LEU 205.A N ARG 201.A O no hydrogen 2.928 N/A GLU 206.A N VAL 202.A O no hydrogen 2.917 N/A ASN 207.A N ILE 203.A O no hydrogen 3.340 N/A ASN 208.A N LEU 205.A O no hydrogen 2.884 N/A ASN 208.A ND2 ILE 204.A O no hydrogen 2.676 N/A ASN 208.A ND2 THR 231.A O no hydrogen 2.772 N/A TRP 209.A NE1 ILE 252.A O no hydrogen 2.668 N/A LEU 212.A N ASN 208.A O no hydrogen 2.837 N/A SER 213.A N TRP 209.A O no hydrogen 2.925 N/A SER 213.A OG TRP 209.A O no hydrogen 2.871 N/A ARG 214.A N GLY 210.A O no hydrogen 3.053 N/A ALA 215.A N LEU 211.A O no hydrogen 2.925 N/A ALA 216.A N LEU 212.A O no hydrogen 2.910 N/A LYS 217.A N SER 213.A O no hydrogen 3.185 N/A LYS 217.A NZ ASP 257.A OD2 no hydrogen 2.776 N/A THR 218.A N ALA 215.A O no hydrogen 3.312 N/A THR 218.A OG1 ALA 215.A O no hydrogen 3.026 N/A ALA 219.A N ALA 216.A O no hydrogen 2.947 N/A ASN 220.A N VAL 223.A O no hydrogen 2.877 N/A GLY 222.A N GLY 35.A O no hydrogen 2.941 N/A VAL 223.A N ASN 220.A O no hydrogen 3.038 N/A PHE 224.A N THR 243.A O no hydrogen 2.895 N/A LEU 228.A N VAL 242.A O no hydrogen 2.943 N/A LEU 230.A N TRP 240.A O no hydrogen 2.900 N/A SER 232.A OG ASN 207.A OD1 no hydrogen 2.647 N/A ALA 234.A N SER 232.A OG no hydrogen 3.071 N/A VAL 235.A N SER 232.A O no hydrogen 3.028 N/A VAL 238.A N VAL 235.A O no hydrogen 3.437 N/A TRP 240.A N LEU 230.A O no hydrogen 3.029 N/A VAL 242.A N LEU 228.A O no hydrogen 2.962 N/A THR 243.A N GLU 247.A OE1 no hydrogen 2.835 N/A THR 243.A OG1 GLU 247.A OE1 no hydrogen 3.128 N/A THR 244.A N GLU 247.A OE1 no hydrogen 2.755 N/A THR 244.A OG1 GLU 247.A OE1 no hydrogen 2.765 N/A VAL 245.A N GLY 222.A O no hydrogen 2.790 N/A VAL 248.A N VAL 245.A O no hydrogen 3.225 N/A GLU 249.A N ALA 246.A O no hydrogen 3.265 N/A GLY 251.A N ARG 177.A O no hydrogen 2.688 N/A ILE 252.A N ARG 177.A O no hydrogen 3.043 N/A PHE 253.A N PRO 40.A O no hydrogen 3.114 N/A LEU 254.A N SER 213.A OG no hydrogen 2.856 N/A VAL 256.A N TYR 34.A OH no hydrogen 2.936 N/A