Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6q3f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 5.A N.A PRO 2.A O no hydrogen 3.127 N/A MET 5.A N.B PRO 2.A O no hydrogen 3.122 N/A GLU 6.A N GLU 3.A O no hydrogen 2.828 N/A ASN 7.A N PHE 4.A O no hydrogen 3.017 N/A PHE 8.A N MET 5.A O.A no hydrogen 2.942 N/A PHE 8.A N MET 5.A O.B no hydrogen 2.888 N/A GLN 9.A N ARG 26.A O no hydrogen 2.709 N/A GLU 12.A N LYS 24.A O no hydrogen 2.804 N/A LYS 13.A NZ GLU 16.A OE2 no hydrogen 3.076 N/A ILE 14.A N VAL 22.A O no hydrogen 2.890 N/A GLY 15.A N VAL 22.A O no hydrogen 3.116 N/A GLY 17.A N GLY 20.A O no hydrogen 2.923 N/A TYR 19.A OH GLY 148.A O no hydrogen 2.711 N/A VAL 22.A N GLY 15.A O no hydrogen 2.941 N/A TYR 23.A N LEU 36.A O no hydrogen 2.752 N/A LYS 24.A N GLU 12.A O no hydrogen 2.856 N/A ALA 25.A N VAL 34.A O no hydrogen 2.986 N/A ARG 26.A N LYS 10.A O no hydrogen 3.170 N/A ARG 26.A NH2 GLY 31.A O no hydrogen 3.330 N/A ASN 27.A N GLU 32.A O no hydrogen 2.887 N/A LYS 28.A N ASN 7.A O no hydrogen 2.944 N/A LEU 29.A N ASN 27.A OD1 no hydrogen 2.876 N/A THR 30.A N ASN 27.A OD1 no hydrogen 3.067 N/A GLY 31.A N ASN 27.A O no hydrogen 2.728 N/A GLU 32.A N THR 30.A OG1 no hydrogen 3.112 N/A VAL 34.A N ALA 25.A O no hydrogen 2.837 N/A ALA 35.A N PHE 75.A O no hydrogen 2.866 N/A LEU 36.A N TYR 23.A O no hydrogen 2.826 N/A LYS 37.A N LEU 73.A O no hydrogen 2.835 N/A LYS 37.A NZ ASP 140.A OD1 no hydrogen 2.822 N/A LYS 37.A NZ ASP 140.A OD2 no hydrogen 3.352 N/A LYS 38.A N VAL 21.A O no hydrogen 2.998 N/A ILE 39.A N LEU 71.A O no hydrogen 2.832 N/A ILE 44.A N PRO 40.A O no hydrogen 3.272 N/A ARG 45.A N.A SER 41.A O no hydrogen 3.165 N/A ARG 45.A N.B SER 41.A O no hydrogen 3.192 N/A GLU 46.A N THR 42.A O no hydrogen 2.924 N/A ILE 47.A N ALA 43.A O no hydrogen 2.870 N/A SER 48.A N ILE 44.A O no hydrogen 2.980 N/A SER 48.A OG ILE 44.A O no hydrogen 2.747 N/A LEU 49.A N ARG 45.A O.A no hydrogen 3.344 N/A LEU 49.A N ARG 45.A O.B no hydrogen 3.338 N/A LEU 50.A N ILE 47.A O no hydrogen 3.277 N/A LYS 51.A N SER 48.A O no hydrogen 3.120 N/A GLU 52.A N LEU 49.A O no hydrogen 3.273 N/A LEU 53.A N LEU 50.A O no hydrogen 3.077 N/A ASN 54.A ND2 LYS 51.A O no hydrogen 3.413 N/A ASN 57.A N HIS 55.A ND1 no hydrogen 2.925 N/A ASN 57.A ND2 GLN 105.A OE1 no hydrogen 3.130 N/A ASN 57.A ND2 ILE 136.A O no hydrogen 2.863 N/A ILE 58.A N HIS 55.A O no hydrogen 3.038 N/A VAL 59.A N LEU 138.A O no hydrogen 2.890 N/A LYS 60.A N GLU 76.A OE2 no hydrogen 2.989 N/A LYS 60.A NZ ASN 54.A OD1 no hydrogen 3.534 N/A LEU 62.A N VAL 74.A O no hydrogen 2.733 N/A ASP 63.A N VAL 74.A O no hydrogen 3.307 N/A ILE 65.A N TYR 72.A O no hydrogen 2.825 N/A THR 67.A N LYS 70.A O no hydrogen 2.975 N/A THR 67.A OG1 GLU 68.A OE1 no hydrogen 2.534 N/A LYS 70.A N THR 67.A O no hydrogen 2.855 N/A TYR 72.A N ILE 65.A O no hydrogen 2.834 N/A LEU 73.A N LYS 37.A O no hydrogen 2.813 N/A VAL 74.A N ASP 63.A O no hydrogen 2.834 N/A PHE 75.A N ALA 35.A O no hydrogen 2.818 N/A GLU 76.A N LYS 60.A O no hydrogen 2.881 N/A LEU 82.A N LEU 128.A O no hydrogen 2.794 N/A LYS 84.A N ASP 81.A OD1 no hydrogen 2.856 N/A PHE 85.A N ASP 81.A O no hydrogen 3.103 N/A MET 86.A N LEU 82.A O no hydrogen 2.750 N/A ASP 87.A N LYS 83.A O no hydrogen 3.008 N/A ALA 88.A N LYS 84.A O no hydrogen 2.870 N/A SER 89.A N MET 86.A O no hydrogen 3.193 N/A SER 89.A OG PHE 85.A O no hydrogen 2.874 N/A ALA 90.A N ASP 87.A O no hydrogen 3.341 N/A GLY 93.A N SER 89.A O no hydrogen 2.518 N/A LEU 98.A N PRO 95.A O no hydrogen 2.943 N/A ILE 99.A N PRO 95.A O no hydrogen 2.971 N/A LYS 100.A N LEU 96.A O no hydrogen 2.883 N/A LYS 100.A NZ PHE 279.A O no hydrogen 3.002 N/A LYS 100.A NZ ASP 282.A OD1 no hydrogen 2.560 N/A SER 101.A N PRO 97.A O no hydrogen 3.013 N/A SER 101.A OG THR 284.A O no hydrogen 3.371 N/A TYR 102.A N LEU 98.A O no hydrogen 2.868 N/A LEU 103.A N ILE 99.A O no hydrogen 2.863 N/A PHE 104.A N LYS 100.A O no hydrogen 2.894 N/A GLN 105.A N SER 101.A O no hydrogen 2.933 N/A GLN 105.A NE2 SER 101.A O no hydrogen 3.419 N/A GLN 105.A NE2 SER 101.A OG no hydrogen 3.043 N/A GLN 105.A NE2 GLY 134.A O no hydrogen 2.963 N/A LEU 106.A N TYR 102.A O no hydrogen 2.928 N/A LEU 107.A N LEU 103.A O no hydrogen 2.871 N/A GLN 108.A N PHE 104.A O no hydrogen 3.012 N/A GLN 108.A NE2 PHE 104.A O no hydrogen 3.524 N/A GLY 109.A N GLN 105.A O no hydrogen 3.010 N/A LEU 110.A N LEU 106.A O no hydrogen 2.927 N/A ALA 111.A N LEU 107.A O no hydrogen 2.814 N/A PHE 112.A N GLN 108.A O no hydrogen 3.035 N/A CYS 113.A N GLY 109.A O no hydrogen 3.020 N/A CYS 113.A SG GLY 109.A O no hydrogen 3.555 N/A HIS 114.A N LEU 110.A O no hydrogen 2.744 N/A HIS 114.A NE2 ASP 179.A OD2 no hydrogen 2.857 N/A SER 115.A N ALA 111.A O no hydrogen 2.987 N/A SER 115.A OG ALA 111.A O no hydrogen 3.484 N/A SER 115.A OG PHE 112.A O no hydrogen 2.712 N/A HIS 116.A N PHE 112.A O no hydrogen 3.253 N/A HIS 116.A N CYS 113.A O no hydrogen 2.968 N/A ARG 117.A N HIS 114.A O no hydrogen 2.964 N/A VAL 118.A N CYS 113.A O no hydrogen 3.020 N/A HIS 120.A N ASP 179.A OD2 no hydrogen 2.886 N/A HIS 120.A NE2 ALA 139.A O no hydrogen 2.800 N/A ARG 121.A N ASP 179.A OD1 no hydrogen 2.731 N/A ARG 121.A NE ARG 121.A O no hydrogen 2.827 N/A ARG 121.A NH2 TYR 174.A OH no hydrogen 3.214 N/A ASP 122.A N HIS 120.A ND1 no hydrogen 2.936 N/A LYS 124.A N ASN 127.A OD1 no hydrogen 3.082 N/A LYS 124.A NZ ASP 122.A OD2 no hydrogen 2.820 N/A GLN 126.A N GLN 126.A OE1 no hydrogen 2.852 N/A ASN 127.A N LYS 124.A O no hydrogen 3.012 N/A ASN 127.A ND2 ASP 122.A O no hydrogen 2.924 N/A LEU 128.A N PRO 125.A O no hydrogen 3.163 N/A LEU 129.A N LYS 137.A O no hydrogen 2.844 N/A ILE 130.A N GLN 80.A O no hydrogen 2.916 N/A ASN 131.A N ALA 135.A O no hydrogen 3.213 N/A GLU 133.A N ASN 131.A OD1 no hydrogen 2.972 N/A ALA 135.A N ASN 131.A OD1 no hydrogen 3.059 N/A ILE 136.A N GLN 105.A OE1 no hydrogen 3.147 N/A LYS 137.A N LEU 129.A O no hydrogen 2.802 N/A LYS 137.A NZ GLU 76.A OE1 no hydrogen 2.786 N/A LYS 137.A NZ GLU 76.A OE2 no hydrogen 3.477 N/A LEU 138.A N ASN 57.A O no hydrogen 2.862 N/A ALA 139.A N ASN 127.A O no hydrogen 2.804 N/A GLY 142.A N LEU 119.A O no hydrogen 3.063 N/A LEU 143.A N ASP 140.A O no hydrogen 3.364 N/A ALA 146.A N GLY 142.A O no hydrogen 3.463 N/A PHE 147.A N LEU 143.A O no hydrogen 2.678 N/A GLY 148.A N ALA 144.A O no hydrogen 2.770 N/A ARG 152.A NH2 HIS 156.A O no hydrogen 3.254 N/A THR 153.A N GLU 157.A O no hydrogen 2.795 N/A THR 153.A OG1 THR 155.A OG1 no hydrogen 2.905 N/A THR 155.A N THR 153.A OG1 no hydrogen 3.171 N/A THR 155.A OG1 THR 153.A OG1 no hydrogen 2.905 N/A HIS 156.A N THR 153.A O no hydrogen 2.861 N/A GLU 157.A N THR 155.A OG1 no hydrogen 3.377 N/A VAL 159.A N VAL 151.A O no hydrogen 3.039 N/A TRP 162.A N THR 160.A OG1 no hydrogen 3.303 N/A TYR 163.A OH GLU 189.A OE1 no hydrogen 2.617 N/A ARG 164.A N LEU 161.A O no hydrogen 3.044 N/A GLU 167.A N GLU 167.A OE1 no hydrogen 2.710 N/A ILE 168.A N ALA 165.A O no hydrogen 3.030 N/A LEU 169.A N ALA 165.A O no hydrogen 3.277 N/A LEU 170.A N PRO 166.A O no hydrogen 2.845 N/A GLY 171.A N ILE 168.A O no hydrogen 3.046 N/A VAL 178.A N SER 175.A O no hydrogen 2.963 N/A ASP 179.A N THR 176.A O no hydrogen 3.033 N/A TRP 181.A N ALA 177.A O no hydrogen 3.115 N/A SER 182.A N VAL 178.A O no hydrogen 3.200 N/A SER 182.A OG TYR 163.A O no hydrogen 2.718 N/A SER 182.A OG VAL 178.A O no hydrogen 3.156 N/A LEU 183.A N ASP 179.A O no hydrogen 2.916 N/A GLY 184.A N ILE 180.A O no hydrogen 2.855 N/A CYS 185.A N TRP 181.A O no hydrogen 3.015 N/A CYS 185.A SG TRP 181.A O no hydrogen 3.545 N/A ILE 186.A N SER 182.A O no hydrogen 3.028 N/A PHE 187.A N LEU 183.A O no hydrogen 2.836 N/A ALA 188.A N GLY 184.A O no hydrogen 3.016 N/A GLU 189.A N CYS 185.A O no hydrogen 3.101 N/A MET 190.A N ILE 186.A O no hydrogen 2.884 N/A VAL 191.A N PHE 187.A O no hydrogen 3.120 N/A THR 192.A N ALA 188.A O no hydrogen 2.944 N/A THR 192.A OG1 ALA 188.A O no hydrogen 3.022 N/A ARG 193.A N GLU 189.A O no hydrogen 2.855 N/A ARG 193.A NH2 ALA 90.A O no hydrogen 3.180 N/A ARG 194.A N THR 192.A OG1 no hydrogen 3.313 N/A GLY 199.A N PHE 197.A O no hydrogen 2.884 N/A GLY 199.A N GLN 205.A OE1 no hydrogen 2.862 N/A ASP 200.A N ASP 204.A OD2 no hydrogen 3.145 N/A ASP 204.A N SER 201.A OG no hydrogen 3.053 N/A GLN 205.A N SER 201.A O no hydrogen 2.830 N/A GLN 205.A NE2 TRP 162.A O no hydrogen 3.238 N/A GLN 205.A NE2 PHE 197.A O no hydrogen 2.938 N/A LEU 206.A N GLU 202.A O no hydrogen 2.994 N/A PHE 207.A N ILE 203.A O no hydrogen 2.889 N/A ARG 208.A N ASP 204.A O no hydrogen 2.896 N/A ARG 208.A NE ASP 204.A OD2 no hydrogen 3.197 N/A ILE 209.A N GLN 205.A O no hydrogen 3.087 N/A PHE 210.A N LEU 206.A O no hydrogen 3.000 N/A ARG 211.A N PHE 207.A O no hydrogen 2.892 N/A THR 212.A N ARG 208.A O no hydrogen 3.371 N/A THR 212.A N ILE 209.A O no hydrogen 3.175 N/A LEU 213.A N ILE 209.A O no hydrogen 2.856 N/A GLY 214.A N PHE 210.A O no hydrogen 2.770 N/A THR 215.A N TRP 237.A O no hydrogen 2.925 N/A THR 215.A OG1 PRO 235.A O no hydrogen 2.696 N/A VAL 219.A N ASP 217.A OD1 no hydrogen 3.027 N/A VAL 220.A N ASP 217.A OD1 no hydrogen 3.149 N/A TRP 221.A N ASP 217.A O no hydrogen 2.864 N/A GLY 223.A N GLU 218.A OE1 no hydrogen 2.764 N/A VAL 224.A N TRP 221.A O no hydrogen 2.990 N/A THR 225.A N GLU 218.A OE2 no hydrogen 3.021 N/A THR 225.A OG1 GLU 218.A OE2 no hydrogen 2.668 N/A SER 226.A N GLY 223.A O no hydrogen 3.026 N/A MET 227.A N.A VAL 224.A O no hydrogen 3.118 N/A MET 227.A N.B VAL 224.A O no hydrogen 3.103 N/A ASP 229.A N LEU 170.A O no hydrogen 2.941 N/A TYR 230.A N MET 227.A O.A no hydrogen 3.116 N/A TYR 230.A N MET 227.A O.B no hydrogen 3.165 N/A LYS 231.A NZ.B ASP 229.A O no hydrogen 3.373 N/A PHE 234.A N LYS 231.A O no hydrogen 2.961 N/A LYS 236.A NZ TYR 230.A OH no hydrogen 3.185 N/A LYS 236.A NZ PRO 232.A O no hydrogen 3.447 N/A LYS 236.A NZ PHE 234.A O no hydrogen 2.823 N/A TRP 237.A N THR 215.A OG1 no hydrogen 2.931 N/A ARG 239.A NH1 LEU 213.A O no hydrogen 3.033 N/A GLN 240.A N THR 212.A O no hydrogen 2.813 N/A LYS 244.A N ASP 241.A O no hydrogen 2.816 N/A VAL 245.A N ASP 241.A O no hydrogen 3.296 N/A VAL 246.A N PHE 242.A O no hydrogen 2.898 N/A LEU 249.A N VAL 246.A O no hydrogen 2.963 N/A GLY 253.A N ASP 250.A OD1 no hydrogen 2.905 N/A ARG 254.A N ASP 250.A O no hydrogen 2.874 N/A ARG 254.A NH1 LEU 249.A O no hydrogen 2.789 N/A SER 255.A N GLU 251.A O no hydrogen 2.910 N/A SER 255.A OG HIS 277.A NE2 no hydrogen 3.160 N/A LEU 256.A N ASP 252.A O no hydrogen 3.207 N/A LEU 257.A N GLY 253.A O no hydrogen 2.873 N/A SER 258.A N ARG 254.A O no hydrogen 2.922 N/A SER 258.A OG.B ARG 254.A O no hydrogen 3.424 N/A SER 258.A OG.B SER 255.A O no hydrogen 2.696 N/A GLN 259.A N SER 255.A O no hydrogen 3.126 N/A MET 260.A N LEU 256.A O no hydrogen 2.993 N/A LEU 261.A N SER 258.A O no hydrogen 3.298 N/A TYR 263.A OH GLY 214.A O no hydrogen 2.630 N/A ASN 266.A N.A ASP 264.A OD1 no hydrogen 2.974 N/A ASN 266.A N.B ASP 264.A OD1 no hydrogen 2.975 N/A ASN 266.A ND2.A ASP 264.A OD1 no hydrogen 2.923 N/A LYS 267.A N ASP 264.A O no hydrogen 2.967 N/A LYS 267.A NZ VAL 220.A O no hydrogen 3.248 N/A LYS 267.A NZ ASP 264.A OD2 no hydrogen 2.770 N/A ARG 268.A N ASP 264.A O no hydrogen 3.110 N/A ARG 268.A NE HIS 262.A O no hydrogen 2.894 N/A ARG 268.A NH1 GLU 167.A OE1 no hydrogen 3.416 N/A ARG 268.A NH1 GLU 167.A OE2 no hydrogen 2.782 N/A ARG 268.A NH1 ALA 177.A O no hydrogen 2.992 N/A ARG 268.A NH2 GLU 167.A OE1 no hydrogen 2.904 N/A ARG 268.A NH2 HIS 262.A O no hydrogen 3.177 N/A ARG 268.A NH2 TYR 263.A O no hydrogen 2.979 N/A ILE 269.A N GLN 259.A O no hydrogen 3.014 N/A ALA 273.A N SER 270.A OG no hydrogen 2.982 N/A ALA 274.A N SER 270.A O no hydrogen 2.876 N/A LEU 275.A N ALA 271.A O no hydrogen 3.075 N/A ALA 276.A N ALA 273.A O no hydrogen 3.037 N/A HIS 277.A N ALA 274.A O no hydrogen 3.037 N/A HIS 277.A NE2 SER 255.A OG no hydrogen 3.160 N/A PHE 279.A N HIS 277.A ND1 no hydrogen 2.935 N/A PHE 280.A N HIS 277.A O no hydrogen 2.989 N/A GLN 281.A N PRO 278.A O no hydrogen 3.057 N/A VAL 283.A N PHE 280.A O no hydrogen 3.169 N/A