Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5fa3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A N VAL 102.A O no hydrogen 3.076 N/A SER 3.A N ASP 28.A OD2 no hydrogen 2.750 N/A SER 3.A OG ASP 28.A OD2 no hydrogen 3.417 N/A MET 4.A N CYS 100.A O no hydrogen 2.927 N/A ARG 5.A N TYR 26.A O no hydrogen 2.956 N/A ARG 5.A NH1 ASP 101.A OD1 no hydrogen 2.640 N/A ARG 5.A NH2 ASP 101.A OD1 no hydrogen 2.880 N/A ARG 5.A NH2 ASP 101.A OD2 no hydrogen 3.469 N/A TYR 6.A N TYR 98.A O no hydrogen 2.871 N/A PHE 7.A N VAL 24.A O no hydrogen 2.892 N/A PHE 8.A N ARG 96.A O no hydrogen 2.816 N/A THR 9.A N ILE 22.A O no hydrogen 2.934 N/A SER 10.A N VAL 94.A O no hydrogen 2.975 N/A VAL 11.A N ARG 20.A O no hydrogen 2.898 N/A SER 12.A N HIS 92.A O no hydrogen 2.957 N/A SER 12.A OG HIS 92.A O no hydrogen 3.441 N/A ARG 13.A NH1 ASP 38.A OD2 no hydrogen 2.952 N/A ARG 13.A NH2 ASP 38.A OD1 no hydrogen 3.236 N/A ARG 20.A N VAL 11.A O no hydrogen 2.912 N/A ARG 20.A NE ASP 36.A OD1 no hydrogen 2.873 N/A ARG 20.A NH2 ASP 36.A OD1 no hydrogen 3.561 N/A ARG 20.A NH2 ASP 36.A OD2 no hydrogen 2.973 N/A PHE 21.A N SER 37.A OG no hydrogen 2.888 N/A ILE 22.A N THR 9.A O no hydrogen 2.885 N/A ALA 23.A N PHE 35.A O no hydrogen 2.812 N/A VAL 24.A N PHE 7.A O no hydrogen 2.997 N/A GLY 25.A N VAL 33.A O no hydrogen 3.027 N/A TYR 26.A N ARG 5.A O no hydrogen 2.775 N/A VAL 27.A N THR 30.A O no hydrogen 2.905 N/A ASP 28.A N SER 3.A O no hydrogen 2.850 N/A THR 30.A N VAL 27.A O no hydrogen 2.891 N/A THR 30.A OG1 TYR 208.A OH no hydrogen 2.779 N/A PHE 32.A N GLY 25.A O no hydrogen 2.844 N/A ARG 34.A N GLU 45.A O no hydrogen 3.001 N/A ARG 34.A NH1 GLU 45.A OE2 no hydrogen 3.565 N/A PHE 35.A N ALA 23.A O no hydrogen 2.787 N/A SER 37.A N PHE 21.A O no hydrogen 2.890 N/A SER 37.A OG PHE 21.A O no hydrogen 3.425 N/A ASP 38.A N ASP 36.A OD1 no hydrogen 2.940 N/A ALA 39.A N ASP 36.A O no hydrogen 3.069 N/A SER 41.A OG ARG 43.A O no hydrogen 3.564 N/A SER 41.A OG GLU 45.A OE1 no hydrogen 3.256 N/A GLN 42.A NE2 SER 37.A O no hydrogen 2.886 N/A GLN 42.A NE2 ALA 39.A O no hydrogen 2.942 N/A ARG 43.A N SER 41.A OG no hydrogen 3.214 N/A ARG 43.A NH1 ASP 60.A OD2 no hydrogen 2.785 N/A ARG 43.A NH2 ASP 60.A OD2 no hydrogen 2.875 N/A MET 44.A N THR 63.A OG1 no hydrogen 3.112 N/A GLU 45.A N ARG 34.A O no hydrogen 2.849 N/A ARG 47.A N PHE 32.A O no hydrogen 2.850 N/A ARG 47.A NH1 GLU 45.A OE2 no hydrogen 3.431 N/A ARG 47.A NH2 PRO 46.A O no hydrogen 2.818 N/A ILE 51.A N ALA 48.A O no hydrogen 3.359 N/A GLU 52.A N PRO 49.A O no hydrogen 3.079 N/A GLN 53.A NE2 ASN 173.A O no hydrogen 3.268 N/A GLU 54.A N ILE 51.A O no hydrogen 3.032 N/A TYR 58.A OH TYR 170.A OH no hydrogen 2.684 N/A TRP 59.A N GLY 55.A O no hydrogen 3.344 N/A TRP 59.A NE1 GLU 54.A O no hydrogen 3.059 N/A ASP 60.A N PRO 56.A O no hydrogen 2.876 N/A GLY 61.A N GLU 57.A O no hydrogen 2.953 N/A GLU 62.A N TYR 58.A O no hydrogen 2.894 N/A THR 63.A N TRP 59.A O no hydrogen 3.063 N/A THR 63.A OG1 TRP 59.A O no hydrogen 2.714 N/A ARG 64.A N ASP 60.A O no hydrogen 2.979 N/A LYS 65.A N GLY 61.A O no hydrogen 2.969 N/A LYS 65.A NZ.A GLU 62.A OE1 no hydrogen 2.750 N/A VAL 66.A N GLU 62.A O no hydrogen 2.839 N/A LYS 67.A N THR 63.A O no hydrogen 2.982 N/A ALA 68.A N ARG 64.A O no hydrogen 3.074 N/A HIS 69.A N LYS 65.A O no hydrogen 2.866 N/A SER 70.A N VAL 66.A O no hydrogen 2.959 N/A GLN 71.A N LYS 67.A O no hydrogen 3.113 N/A THR 72.A N ALA 68.A O no hydrogen 3.035 N/A THR 72.A OG1 ALA 68.A O no hydrogen 3.204 N/A HIS 73.A N HIS 69.A O no hydrogen 3.070 N/A HIS 73.A ND1 HIS 69.A O no hydrogen 2.731 N/A ARG 74.A N SER 70.A O no hydrogen 3.023 N/A VAL 75.A N GLN 71.A O no hydrogen 3.006 N/A ASP 76.A N THR 72.A O no hydrogen 2.798 N/A LEU 77.A N HIS 73.A O no hydrogen 3.018 N/A GLY 78.A N ARG 74.A O no hydrogen 3.307 N/A THR 79.A N VAL 75.A O no hydrogen 2.853 N/A THR 79.A OG1 VAL 75.A O no hydrogen 3.040 N/A LEU 80.A N ASP 76.A O no hydrogen 2.795 N/A ARG 81.A N LEU 77.A O no hydrogen 3.096 N/A ARG 81.A NH1 GLN 86.A O no hydrogen 3.050 N/A GLY 82.A N GLY 78.A O no hydrogen 3.196 N/A TYR 83.A N THR 79.A O no hydrogen 2.911 N/A TYR 84.A N LEU 80.A O no hydrogen 2.944 N/A TYR 84.A OH ASP 136.A OD1 no hydrogen 3.321 N/A TYR 84.A OH ASP 136.A OD2 no hydrogen 2.626 N/A ASN 85.A N GLY 82.A O no hydrogen 3.241 N/A GLN 86.A N ARG 81.A O no hydrogen 2.941 N/A ALA 89.A N SER 87.A OG no hydrogen 3.296 N/A SER 91.A OG SER 12.A O no hydrogen 2.745 N/A HIS 92.A N SER 12.A OG no hydrogen 2.841 N/A THR 93.A N ASP 118.A OD1 no hydrogen 2.897 N/A VAL 94.A N SER 10.A O no hydrogen 2.966 N/A GLN 95.A N ALA 116.A O no hydrogen 2.960 N/A ARG 96.A N PHE 8.A O no hydrogen 2.962 N/A ARG 96.A NE HIS 73.A NE2 no hydrogen 3.232 N/A ARG 96.A NH1 HIS 113.A NE2 no hydrogen 3.310 N/A MET 97.A N GLN 114.A O no hydrogen 2.959 N/A TYR 98.A N TYR 6.A O no hydrogen 3.148 N/A GLY 99.A N TYR 112.A O no hydrogen 3.159 N/A CYS 100.A N MET 4.A O no hydrogen 3.006 N/A ASP 101.A N ARG 110.A O no hydrogen 2.810 N/A VAL 102.A N HIS 2.A O no hydrogen 2.923 N/A GLY 103.A N ARG 107.A O no hydrogen 2.884 N/A TRP 106.A N GLY 103.A O no hydrogen 2.938 N/A ARG 107.A N ASP 105.A OD1 no hydrogen 3.047 N/A LEU 109.A N ASP 101.A O no hydrogen 2.787 N/A ARG 110.A N ASP 101.A O no hydrogen 3.454 N/A TYR 112.A N GLY 99.A O no hydrogen 2.862 N/A TYR 112.A OH ASP 101.A OD2 no hydrogen 2.943 N/A GLN 114.A N MET 97.A O no hydrogen 2.888 N/A TYR 115.A N ILE 123.A O no hydrogen 2.797 N/A TYR 115.A OH ASP 76.A OD2 no hydrogen 2.756 N/A ALA 116.A N GLN 95.A O no hydrogen 2.828 N/A TYR 117.A N LYS 120.A O no hydrogen 3.053 N/A TYR 117.A OH GLN 86.A OE1 no hydrogen 2.582 N/A ASP 118.A N THR 93.A O no hydrogen 2.749 N/A LYS 120.A N TYR 117.A O no hydrogen 3.137 N/A TYR 122.A N TYR 115.A O no hydrogen 2.930 N/A TYR 122.A OH THR 142.A OG1 no hydrogen 2.777 N/A ALA 124.A N THR 133.A O no hydrogen 3.006 N/A LEU 125.A N HIS 113.A O no hydrogen 2.891 N/A LYS 126.A N SER 131.A O no hydrogen 2.891 N/A LYS 126.A NZ THR 133.A OG1 no hydrogen 2.747 N/A LEU 129.A N LYS 126.A O no hydrogen 2.871 N/A ARG 130.A N ASP 128.A OD1 no hydrogen 2.887 N/A ARG 130.A NH1 ASP 128.A O no hydrogen 3.012 N/A SER 131.A OG ASP 128.A OD1 no hydrogen 2.921 N/A SER 131.A OG ASP 128.A OD2 no hydrogen 3.129 N/A THR 133.A N ALA 124.A O no hydrogen 2.821 N/A ALA 135.A N TYR 122.A O no hydrogen 2.914 N/A ALA 139.A N ASP 136.A OD1 no hydrogen 2.947 N/A GLN 140.A N ASP 136.A O no hydrogen 2.917 N/A GLN 140.A NE2 HIS 144.A NE2 no hydrogen 3.198 N/A THR 141.A N MET 137.A O no hydrogen 3.279 N/A THR 141.A OG1 MET 137.A O no hydrogen 3.203 N/A THR 142.A N ALA 138.A O no hydrogen 3.277 N/A THR 142.A OG1 TYR 122.A OH no hydrogen 2.777 N/A LYS 143.A N ALA 139.A O no hydrogen 2.763 N/A LYS 143.A NZ TRP 132.A O no hydrogen 2.920 N/A HIS 144.A N GLN 140.A O no hydrogen 2.919 N/A LYS 145.A N THR 141.A O no hydrogen 3.150 N/A TRP 146.A N THR 142.A O no hydrogen 2.847 N/A GLU 147.A N LYS 143.A O no hydrogen 2.851 N/A ALA 148.A N HIS 144.A O no hydrogen 3.104 N/A ALA 149.A N LYS 145.A O no hydrogen 3.051 N/A HIS 150.A N GLU 147.A O no hydrogen 3.333 N/A HIS 150.A ND1 GLU 153.A OE1 no hydrogen 2.881 N/A VAL 151.A N TRP 146.A O no hydrogen 3.011 N/A GLU 153.A N GLU 153.A OE2 no hydrogen 2.978 N/A GLN 154.A N HIS 150.A O no hydrogen 3.297 N/A LEU 155.A N VAL 151.A O no hydrogen 2.882 N/A ARG 156.A N ALA 152.A O no hydrogen 2.780 N/A ARG 156.A NH1 LEU 129.A O no hydrogen 2.946 N/A ALA 157.A N GLU 153.A O no hydrogen 3.167 N/A TYR 158.A N GLN 154.A O no hydrogen 3.357 N/A LEU 159.A N LEU 155.A O no hydrogen 2.766 N/A GLU 160.A N ARG 156.A O no hydrogen 2.901 N/A GLY 161.A N TYR 158.A O no hydrogen 3.299 N/A CYS 163.A N TYR 158.A O no hydrogen 2.747 N/A GLU 165.A N GLY 161.A O no hydrogen 3.074 N/A TRP 166.A N THR 162.A O no hydrogen 2.928 N/A LEU 167.A N CYS 163.A O no hydrogen 3.032 N/A ARG 168.A N VAL 164.A O no hydrogen 2.957 N/A ARG 168.A NE TRP 106.A O no hydrogen 2.939 N/A ARG 168.A NH2 TRP 106.A O no hydrogen 3.064 N/A ARG 169.A N GLU 165.A O no hydrogen 3.026 N/A ARG 169.A NE GLU 54.A OE2 no hydrogen 2.830 N/A ARG 169.A NH2 GLU 54.A OE1 no hydrogen 3.116 N/A ARG 169.A NH2 GLU 54.A OE2 no hydrogen 3.434 N/A TYR 170.A N TRP 166.A O no hydrogen 2.881 N/A LEU 171.A N LEU 167.A O no hydrogen 2.849 N/A GLU 172.A N ARG 168.A O no hydrogen 3.079 N/A ASN 173.A N ARG 169.A O no hydrogen 2.939 N/A GLY 174.A N TYR 170.A O no hydrogen 2.782 N/A LYS 175.A N GLU 172.A O no hydrogen 3.210 N/A LYS 175.A NZ GLU 172.A OE2 no hydrogen 2.924 N/A GLU 176.A N GLU 176.A OE1 no hydrogen 2.837 N/A THR 177.A N GLY 174.A O no hydrogen 3.121 N/A THR 177.A OG1 GLY 174.A O no hydrogen 3.280 N/A LEU 178.A N GLY 174.A O no hydrogen 2.783 N/A GLN 179.A N LYS 175.A O no hydrogen 3.055 N/A GLN 179.A NE2 LEU 171.A O no hydrogen 2.920 N/A ARG 180.A N THR 177.A O no hydrogen 3.092 N/A ARG 180.A NE ASP 182.A OD1 no hydrogen 2.842 N/A ARG 180.A NH1 ASP 182.A OD1 no hydrogen 3.351 N/A ARG 180.A NH1 ASP 182.A OD2 no hydrogen 3.230 N/A ASP 182.A N TYR 208.A O no hydrogen 2.896 N/A LYS 185.A N LEU 205.A O no hydrogen 2.841 N/A HIS 187.A N TRP 203.A O no hydrogen 3.312 N/A THR 189.A N ARG 201.A O no hydrogen 2.881 N/A THR 189.A OG1 HIS 191.A NE2 no hydrogen 2.715 N/A HIS 190.A NE2 GLU 253.A OE2 no hydrogen 2.898 N/A HIS 191.A N THR 199.A O no hydrogen 2.804 N/A HIS 191.A NE2 THR 189.A OG1 no hydrogen 2.715 N/A VAL 193.A N GLU 197.A O no hydrogen 3.170 N/A SER 194.A N GLU 197.A O no hydrogen 3.251 N/A HIS 196.A N SER 194.A OG no hydrogen 3.167 N/A GLU 197.A N SER 194.A OG no hydrogen 2.984 N/A ALA 198.A N VAL 248.A O no hydrogen 2.947 N/A THR 199.A N HIS 191.A O no hydrogen 2.707 N/A LEU 200.A N VAL 246.A O no hydrogen 2.863 N/A ARG 201.A N THR 189.A O no hydrogen 2.942 N/A CYS 202.A N ALA 244.A O no hydrogen 2.722 N/A TRP 203.A N HIS 187.A O no hydrogen 2.773 N/A TRP 203.A NE1 THR 189.A OG1 no hydrogen 3.142 N/A ALA 204.A N LYS 242.A O no hydrogen 2.836 N/A LEU 205.A N LYS 185.A O no hydrogen 2.839 N/A PHE 207.A N PHE 240.A O no hydrogen 3.172 N/A TYR 208.A N ASP 182.A O no hydrogen 3.003 N/A TYR 208.A OH THR 30.A OG1 no hydrogen 2.779 N/A ALA 210.A N ASP 29.A OD2 no hydrogen 2.760 N/A THR 213.A N GLN 261.A O no hydrogen 3.155 N/A THR 215.A N HIS 259.A O no hydrogen 3.026 N/A GLN 217.A N THR 257.A O no hydrogen 2.908 N/A ARG 218.A N GLU 221.A O no hydrogen 2.766 N/A ARG 218.A NH1 GLN 223.A OE1 no hydrogen 2.903 N/A ASP 219.A N ARG 255.A O no hydrogen 2.910 N/A GLU 221.A N ARG 218.A O no hydrogen 3.158 N/A GLN 223.A N TRP 216.A O no hydrogen 3.059 N/A GLN 223.A NE2 GLN 225.A O no hydrogen 2.986 N/A THR 227.A OG1 THR 224.A O no hydrogen 2.560 N/A GLU 228.A N ALA 245.A O no hydrogen 2.863 N/A VAL 230.A N TRP 243.A O no hydrogen 3.179 N/A ARG 233.A N GLN 241.A O no hydrogen 3.017 N/A ARG 233.A NE GLN 241.A OE1 no hydrogen 2.945 N/A ARG 233.A NH2 GLN 241.A OE1 no hydrogen 3.111 N/A ALA 235.A N THR 239.A O no hydrogen 2.906 N/A THR 239.A N ASP 237.A OD1 no hydrogen 3.077 N/A THR 239.A OG1 ASP 237.A OD1 no hydrogen 2.638 N/A PHE 240.A N PHE 207.A O no hydrogen 2.815 N/A GLN 241.A N ARG 233.A O no hydrogen 2.826 N/A LYS 242.A N ALA 204.A O no hydrogen 2.923 N/A LYS 242.A NZ VAL 230.A O no hydrogen 2.767 N/A LYS 242.A NZ THR 232.A OG1 no hydrogen 2.902 N/A ALA 244.A N CYS 202.A O no hydrogen 3.053 N/A ALA 245.A N GLU 228.A O no hydrogen 2.736 N/A VAL 246.A N LEU 200.A O no hydrogen 2.907 N/A VAL 247.A N ASP 226.A O no hydrogen 2.947 N/A VAL 248.A N ALA 198.A O no hydrogen 2.790 N/A SER 250.A N HIS 196.A O no hydrogen 2.726 N/A GLY 251.A N GLU 253.A OE1 no hydrogen 2.882 N/A GLN 252.A N PRO 249.A O no hydrogen 3.001 N/A GLU 253.A N GLU 253.A OE1 no hydrogen 2.846 N/A ARG 255.A N GLN 252.A O no hydrogen 3.001 N/A ARG 255.A NE GLN 252.A OE1 no hydrogen 2.709 N/A ARG 255.A NH1 GLN 252.A OE1 no hydrogen 3.529 N/A ARG 255.A NH2 ASP 219.A OD1 no hydrogen 3.401 N/A ARG 255.A NH2 ASP 219.A OD2 no hydrogen 3.017 N/A TYR 256.A N GLU 253.A O no hydrogen 3.179 N/A THR 257.A N GLN 217.A O no hydrogen 3.033 N/A CYS 258.A N LEU 271.A O no hydrogen 3.015 N/A HIS 259.A N THR 215.A O no hydrogen 2.745 N/A VAL 260.A N LEU 269.A O no hydrogen 3.026 N/A GLN 261.A N THR 213.A O no hydrogen 3.002 N/A HIS 262.A NE2 PRO 209.A O no hydrogen 2.839 N/A GLY 264.A N HIS 262.A ND1 no hydrogen 3.292 N/A LEU 265.A N HIS 262.A O no hydrogen 3.048 N/A LEU 269.A N VAL 260.A O no hydrogen 3.079 N/A LEU 271.A N CYS 258.A O no hydrogen 2.844 N/A ARG 272.A NH1 GLN 254.A O no hydrogen 2.737 N/A