Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5hti_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N ASP 3.A OD1 no hydrogen 3.064 N/A SER 5.A OG ASP 3.A OD1 no hydrogen 2.555 N/A ALA 6.A N ASP 3.A O no hydrogen 3.122 N/A LEU 7.A N LEU 4.A O no hydrogen 3.161 N/A LEU 11.A N ASN 8.A OD1 no hydrogen 2.907 N/A VAL 12.A N ASN 8.A O no hydrogen 3.014 N/A GLN 13.A N PRO 9.A O no hydrogen 3.225 N/A GLN 13.A NE2 GLN 13.A O no hydrogen 3.387 N/A ALA 14.A N GLU 10.A O no hydrogen 3.174 N/A VAL 15.A N LEU 11.A O no hydrogen 3.012 N/A GLN 16.A N VAL 12.A O no hydrogen 3.009 N/A HIS 17.A N GLN 13.A O no hydrogen 2.927 N/A VAL 18.A N VAL 15.A O no hydrogen 3.002 N/A VAL 19.A N GLN 16.A O no hydrogen 3.374 N/A ILE 20.A N ILE 94.A O no hydrogen 2.822 N/A SER 24.A N GLY 21.A O no hydrogen 2.918 N/A LEU 25.A N PRO 22.A O no hydrogen 3.297 N/A ILE 26.A N THR 45.A O no hydrogen 2.914 N/A HIS 28.A N HIS 43.A O no hydrogen 2.978 N/A HIS 28.A NE2 THR 45.A OG1 no hydrogen 2.678 N/A ASN 30.A N ASN 30.A OD1 no hydrogen 2.469 N/A GLU 31.A N HIS 28.A O no hydrogen 2.902 N/A ILE 33.A N VAL 41.A O no hydrogen 2.721 N/A GLY 34.A N VAL 41.A O no hydrogen 3.301 N/A ARG 35.A NH1 TYR 42.A OH no hydrogen 3.232 N/A GLY 36.A N GLY 39.A O no hydrogen 2.742 N/A HIS 37.A N ASP 177.A OD2 no hydrogen 2.244 N/A CYS 40.A N SER 60.A O no hydrogen 3.021 N/A CYS 40.A SG.A TYR 42.A OH no hydrogen 3.405 N/A CYS 40.A SG.A ASN 62.A OD1 no hydrogen 3.518 N/A CYS 40.A SG.B GLY 34.A O no hydrogen 3.119 N/A CYS 40.A SG.B VAL 41.A O no hydrogen 3.924 N/A VAL 41.A N GLY 34.A O no hydrogen 2.870 N/A TYR 42.A N VAL 58.A O no hydrogen 2.832 N/A HIS 43.A N GLU 31.A O no hydrogen 2.930 N/A HIS 43.A ND1 HIS 55.A NE2 no hydrogen 2.889 N/A GLY 44.A N CYS 56.A O no hydrogen 2.903 N/A THR 45.A N ILE 26.A O no hydrogen 2.881 N/A THR 45.A OG1 HIS 28.A NE2 no hydrogen 2.678 N/A LEU 46.A N ILE 54.A O no hydrogen 2.826 N/A LEU 47.A N SER 24.A O no hydrogen 2.867 N/A ASP 48.A N LYS 52.A O no hydrogen 3.203 N/A ASP 50.A N ASP 48.A OD1 no hydrogen 2.972 N/A GLY 51.A N ASP 48.A O no hydrogen 2.966 N/A LYS 52.A N ASP 48.A OD1 no hydrogen 3.130 N/A ILE 54.A N LEU 46.A O no hydrogen 2.695 N/A HIS 55.A NE2 HIS 43.A ND1 no hydrogen 2.889 N/A CYS 56.A N GLY 44.A O no hydrogen 2.970 N/A ALA 57.A N LEU 106.A O no hydrogen 2.828 N/A VAL 58.A N TYR 42.A O no hydrogen 2.796 N/A LYS 59.A N VAL 104.A O no hydrogen 2.772 N/A LYS 59.A NZ GLU 76.A OE1 no hydrogen 2.823 N/A LYS 59.A NZ PHE 172.A O no hydrogen 3.246 N/A SER 60.A N CYS 40.A O no hydrogen 2.868 N/A SER 60.A OG LEU 61.A O no hydrogen 2.974 N/A LEU 61.A N SER 101.A OG no hydrogen 2.889 N/A ASN 62.A N PHE 38.A O no hydrogen 2.973 N/A ASN 62.A ND2 GLY 36.A O no hydrogen 3.029 N/A ASN 62.A ND2 HIS 37.A O no hydrogen 3.043 N/A ASN 62.A ND2 GLY 39.A O no hydrogen 3.472 N/A ARG 63.A NH1 THR 65.A OG1 no hydrogen 3.231 N/A ARG 63.A NH2 GLU 69.A OE2 no hydrogen 2.726 N/A GLU 69.A N ASP 66.A OD2 no hydrogen 2.801 N/A VAL 70.A N ASP 66.A O no hydrogen 3.033 N/A SER 71.A N ILE 67.A O no hydrogen 2.991 N/A SER 71.A OG.B ILE 67.A O no hydrogen 2.869 N/A GLN 72.A N GLY 68.A O no hydrogen 2.910 N/A PHE 73.A N GLU 69.A O no hydrogen 2.906 N/A LEU 74.A N VAL 70.A O no hydrogen 3.014 N/A THR 75.A N SER 71.A O no hydrogen 2.868 N/A THR 75.A OG1 SER 71.A O no hydrogen 2.763 N/A GLU 76.A N GLN 72.A O no hydrogen 2.916 N/A ILE 78.A N LEU 74.A O no hydrogen 3.017 N/A ILE 79.A N THR 75.A O no hydrogen 2.905 N/A LYS 81.A N ILE 78.A O no hydrogen 3.068 N/A PHE 83.A N MET 80.A O no hydrogen 2.974 N/A SER 84.A N TYR 143.A OH no hydrogen 2.836 N/A ASN 87.A N HIS 85.A ND1 no hydrogen 2.961 N/A ASN 87.A ND2 VAL 167.A O no hydrogen 3.039 N/A VAL 88.A N HIS 85.A O no hydrogen 3.144 N/A LEU 89.A N VAL 169.A O no hydrogen 2.929 N/A LEU 92.A N VAL 105.A O no hydrogen 2.869 N/A ILE 94.A N VAL 18.A O no hydrogen 2.916 N/A CYS 95.A N LEU 103.A O no hydrogen 2.754 N/A CYS 95.A SG ILE 20.A O no hydrogen 3.529 N/A ARG 97.A NE SER 101.A O no hydrogen 3.325 N/A ARG 97.A NH2 SER 101.A O no hydrogen 2.878 N/A SER 101.A OG PRO 102.A O no hydrogen 2.641 N/A LEU 103.A N CYS 95.A O no hydrogen 2.876 N/A VAL 104.A N LYS 59.A O no hydrogen 2.918 N/A VAL 105.A N GLY 93.A O no hydrogen 2.982 N/A LEU 106.A N ALA 57.A O no hydrogen 2.838 N/A TYR 108.A N HIS 55.A O no hydrogen 3.387 N/A HIS 111.A N LEU 161.A O no hydrogen 2.992 N/A GLY 112.A N MET 109.A O no hydrogen 3.031 N/A LEU 114.A N CYS 159.A O no hydrogen 2.744 N/A ARG 115.A N ALA 156.A O no hydrogen 3.345 N/A ARG 115.A NE GLY 224.A O no hydrogen 3.342 N/A ARG 115.A NH2 GLY 224.A O no hydrogen 2.961 N/A ASN 116.A N ASP 113.A OD2 no hydrogen 2.889 N/A ASN 116.A ND2 ASP 113.A OD1 no hydrogen 2.622 N/A PHE 117.A N ASP 113.A O no hydrogen 3.051 N/A ILE 118.A N LEU 114.A O no hydrogen 3.031 N/A ARG 119.A N ARG 115.A O no hydrogen 3.109 N/A ARG 119.A NH1 GLY 224.A O no hydrogen 2.911 N/A ASN 120.A N PHE 117.A O no hydrogen 3.223 N/A THR 122.A N ASN 120.A OD1 no hydrogen 2.977 N/A THR 122.A OG1 ASN 120.A OD1 no hydrogen 2.440 N/A HIS 123.A N ASN 120.A O no hydrogen 3.031 N/A THR 126.A N ASP 129.A OD2 no hydrogen 3.043 N/A THR 126.A OG1 GLY 290.A O no hydrogen 2.706 N/A LYS 128.A NZ PHE 285.A O no hydrogen 2.734 N/A LYS 128.A NZ PHE 288.A O no hydrogen 2.972 N/A ASP 129.A N THR 126.A OG1 no hydrogen 3.002 N/A LEU 130.A N THR 126.A O no hydrogen 2.986 N/A ILE 131.A N VAL 127.A O no hydrogen 2.927 N/A GLY 132.A N LYS 128.A O no hydrogen 2.867 N/A PHE 133.A N ASP 129.A O no hydrogen 2.929 N/A GLY 134.A N LEU 130.A O no hydrogen 3.095 N/A LEU 135.A N ILE 131.A O no hydrogen 2.830 N/A GLN 136.A N GLY 132.A O no hydrogen 2.959 N/A GLN 136.A NE2 PHE 165.A O no hydrogen 3.570 N/A VAL 137.A N PHE 133.A O no hydrogen 3.071 N/A ALA 138.A N GLY 134.A O no hydrogen 2.951 N/A LYS 139.A N LEU 135.A O no hydrogen 2.955 N/A GLY 140.A N GLN 136.A O no hydrogen 2.985 N/A MET 141.A N VAL 137.A O no hydrogen 2.902 N/A LYS 142.A N ALA 138.A O no hydrogen 2.776 N/A TYR 143.A N LYS 139.A O no hydrogen 3.083 N/A LEU 144.A N GLY 140.A O no hydrogen 2.943 N/A ALA 145.A N MET 141.A O no hydrogen 2.762 N/A SER 146.A N LYS 142.A O no hydrogen 3.093 N/A SER 146.A OG TYR 143.A O no hydrogen 2.604 N/A LYS 147.A N TYR 143.A O no hydrogen 3.312 N/A LYS 147.A N LEU 144.A O no hydrogen 3.033 N/A LYS 148.A N ALA 145.A O no hydrogen 2.849 N/A PHE 149.A N LEU 144.A O no hydrogen 2.996 N/A HIS 151.A N ASP 209.A OD2 no hydrogen 2.817 N/A HIS 151.A NE2 ALA 170.A O no hydrogen 2.724 N/A ARG 152.A N ASP 209.A OD1 no hydrogen 3.047 N/A ASP 153.A N HIS 151.A ND1 no hydrogen 2.995 N/A ALA 156.A N GLU 219.A OE2 no hydrogen 2.985 N/A ARG 157.A NE TYR 184.A OH no hydrogen 2.886 N/A ARG 157.A NH2 ASP 153.A OD1 no hydrogen 3.046 N/A ASN 158.A N ALA 155.A O no hydrogen 3.012 N/A ASN 158.A ND2 ASP 153.A O no hydrogen 2.776 N/A CYS 159.A N ALA 156.A O no hydrogen 3.204 N/A CYS 159.A SG ALA 155.A O no hydrogen 3.666 N/A MET 160.A N LYS 168.A O no hydrogen 2.803 N/A LEU 161.A N GLY 112.A O no hydrogen 2.900 N/A ASP 162.A N THR 166.A O no hydrogen 3.058 N/A LYS 164.A N ASP 162.A OD1 no hydrogen 2.899 N/A PHE 165.A N ASP 162.A O no hydrogen 2.894 N/A THR 166.A N ASP 162.A OD1 no hydrogen 2.863 N/A VAL 167.A N GLN 136.A OE1 no hydrogen 2.740 N/A LYS 168.A N MET 160.A O no hydrogen 2.728 N/A LYS 168.A NZ PRO 86.A O no hydrogen 2.756 N/A VAL 169.A N ASN 87.A O no hydrogen 2.786 N/A PHE 172.A N ASN 158.A OD1 no hydrogen 3.302 N/A GLY 173.A N ASP 171.A OD1 no hydrogen 3.112 N/A ALA 175.A N PHE 172.A O no hydrogen 2.926 N/A ARG 176.A N GLY 173.A O no hydrogen 2.975 N/A ARG 176.A NH1 ASP 153.A OD2 no hydrogen 3.216 N/A MET 178.A N ALA 175.A O no hydrogen 3.311 N/A TYR 184.A N LYS 181.A O no hydrogen 3.155 N/A TYR 184.A OH ASP 153.A OD1 no hydrogen 3.371 N/A TYR 184.A OH ASP 153.A OD2 no hydrogen 2.474 N/A SER 185.A N LEU 189.A O no hydrogen 2.952 N/A LEU 189.A N SER 185.A O no hydrogen 2.855 N/A LYS 192.A NZ TYR 228.A O no hydrogen 2.795 N/A LYS 192.A NZ VAL 231.A O no hydrogen 3.029 N/A TRP 193.A N PRO 190.A O no hydrogen 2.966 N/A TRP 193.A NE1 GLU 219.A OE2 no hydrogen 2.919 N/A MET 194.A N VAL 191.A O no hydrogen 3.209 N/A GLU 197.A N GLU 197.A OE1 no hydrogen 2.810 N/A SER 198.A N ALA 195.A O no hydrogen 2.994 N/A SER 198.A OG LYS 203.A O no hydrogen 2.736 N/A LEU 199.A N ALA 195.A O no hydrogen 2.994 N/A GLN 200.A N LEU 196.A O no hydrogen 3.209 N/A THR 201.A N GLU 197.A O no hydrogen 2.972 N/A THR 201.A OG1 GLU 197.A O no hydrogen 2.793 N/A GLN 202.A N SER 198.A O no hydrogen 2.641 N/A LYS 203.A N THR 201.A OG1 no hydrogen 3.208 N/A THR 205.A N SER 208.A OG no hydrogen 2.727 N/A LYS 207.A NZ ARG 271.A O no hydrogen 2.751 N/A SER 208.A N THR 205.A O no hydrogen 3.025 N/A SER 208.A N THR 205.A OG1 no hydrogen 3.088 N/A SER 208.A OG THR 205.A O no hydrogen 2.894 N/A ASP 209.A N THR 205.A O no hydrogen 2.989 N/A VAL 210.A N THR 206.A O no hydrogen 2.969 N/A TRP 211.A N LYS 207.A O no hydrogen 3.352 N/A SER 212.A N SER 208.A O no hydrogen 3.127 N/A SER 212.A OG TRP 193.A O no hydrogen 2.698 N/A SER 212.A OG SER 208.A O no hydrogen 3.292 N/A PHE 213.A N ASP 209.A O no hydrogen 2.836 N/A GLY 214.A N VAL 210.A O no hydrogen 3.015 N/A VAL 215.A N TRP 211.A O no hydrogen 3.180 N/A LEU 216.A N SER 212.A O no hydrogen 2.867 N/A LEU 217.A N PHE 213.A O no hydrogen 2.864 N/A TRP 218.A N GLY 214.A O no hydrogen 3.136 N/A TRP 218.A NE1 LEU 247.A O no hydrogen 2.825 N/A GLU 219.A N VAL 215.A O no hydrogen 2.851 N/A LEU 220.A N LEU 216.A O no hydrogen 2.920 N/A MET 221.A N LEU 217.A O no hydrogen 2.952 N/A THR 222.A N TRP 218.A O no hydrogen 3.049 N/A THR 222.A OG1 TRP 218.A O no hydrogen 3.001 N/A THR 222.A OG1 GLU 219.A O no hydrogen 3.163 N/A ARG 223.A N LEU 220.A O no hydrogen 3.087 N/A ARG 223.A NH1 PRO 125.A O no hydrogen 2.837 N/A ARG 223.A NH2 PRO 125.A O no hydrogen 2.718 N/A GLY 224.A N GLU 219.A O no hydrogen 2.785 N/A ALA 225.A N THR 222.A OG1 no hydrogen 3.140 N/A VAL 231.A N TYR 228.A O no hydrogen 3.072 N/A PHE 234.A N ASN 232.A OD1 no hydrogen 2.998 N/A ASP 235.A N ASN 232.A O no hydrogen 2.845 N/A TYR 239.A N ASP 235.A O no hydrogen 3.102 N/A LEU 240.A N ILE 236.A O no hydrogen 2.942 N/A LEU 241.A N THR 237.A O no hydrogen 2.957 N/A GLN 242.A N VAL 238.A O no hydrogen 3.190 N/A GLN 242.A N TYR 239.A O no hydrogen 3.182 N/A GLY 243.A N LEU 240.A O no hydrogen 2.871 N/A ARG 244.A N LEU 240.A O no hydrogen 3.257 N/A ARG 244.A NE GLN 242.A OE1 no hydrogen 2.853 N/A ARG 244.A NH2 GLN 242.A OE1 no hydrogen 3.201 N/A ARG 245.A NE TRP 264.A O no hydrogen 3.319 N/A ARG 245.A NH1 ARG 244.A O no hydrogen 2.844 N/A ARG 245.A NH2 TRP 264.A O no hydrogen 2.933 N/A GLN 248.A NE2 CYS 252.A O no hydrogen 2.888 N/A GLN 248.A NE2 ASP 254.A OD1 no hydrogen 2.953 N/A CYS 252.A N PRO 249.A O no hydrogen 3.008 N/A CYS 252.A SG PRO 253.A O no hydrogen 3.515 N/A TYR 257.A N PRO 253.A O no hydrogen 3.026 N/A TYR 257.A OH LEU 246.A O no hydrogen 2.618 N/A GLU 258.A N ASP 254.A O no hydrogen 2.936 N/A VAL 259.A N PRO 255.A O no hydrogen 3.028 N/A MET 260.A N LEU 256.A O no hydrogen 2.957 N/A LEU 261.A N TYR 257.A O no hydrogen 2.889 N/A LYS 262.A N GLU 258.A O no hydrogen 3.024 N/A CYS 263.A N VAL 259.A O no hydrogen 2.964 N/A CYS 263.A SG VAL 259.A O no hydrogen 3.454 N/A TRP 264.A N MET 260.A O no hydrogen 3.088 N/A TRP 264.A N LEU 261.A O no hydrogen 3.236 N/A TRP 264.A NE1 TRP 211.A O no hydrogen 3.181 N/A HIS 265.A N LYS 262.A O no hydrogen 3.214 N/A LYS 267.A N HIS 265.A ND1 no hydrogen 2.937 N/A LYS 267.A NZ GLU 269.A OE1 no hydrogen 3.215 N/A GLU 269.A N GLU 269.A OE1 no hydrogen 2.670 N/A MET 270.A N LYS 267.A O no hydrogen 2.908 N/A ARG 271.A N ALA 268.A O no hydrogen 3.144 N/A ARG 271.A NE HIS 265.A O no hydrogen 2.965 N/A ARG 271.A NH1 GLU 197.A OE2 no hydrogen 2.804 N/A ARG 271.A NH1 LYS 207.A O no hydrogen 3.065 N/A ARG 271.A NH2 GLU 197.A OE1 no hydrogen 2.829 N/A ARG 271.A NH2 HIS 265.A O no hydrogen 3.033 N/A GLU 276.A N SER 273.A OG no hydrogen 2.992 N/A LEU 277.A N SER 273.A O no hydrogen 2.903 N/A VAL 278.A N PHE 274.A O no hydrogen 2.898 N/A SER 279.A N SER 275.A O no hydrogen 3.172 N/A ARG 280.A N GLU 276.A O no hydrogen 2.879 N/A ARG 280.A NE GLU 276.A OE2 no hydrogen 2.748 N/A ARG 280.A NH2 GLU 276.A OE2 no hydrogen 3.174 N/A ILE 281.A N LEU 277.A O no hydrogen 2.849 N/A SER 282.A N VAL 278.A O no hydrogen 2.912 N/A SER 282.A OG VAL 278.A O no hydrogen 2.744 N/A ALA 283.A N SER 279.A O no hydrogen 3.163 N/A ILE 284.A N ARG 280.A O no hydrogen 3.131 N/A PHE 285.A N ILE 281.A O no hydrogen 2.829 N/A SER 286.A N SER 282.A O no hydrogen 3.049 N/A SER 286.A OG ALA 283.A O no hydrogen 2.682 N/A THR 287.A N ILE 284.A O no hydrogen 3.065 N/A THR 287.A OG1 ILE 284.A O no hydrogen 2.804 N/A PHE 288.A N PHE 285.A O no hydrogen 3.215 N/A