Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3we4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 6.A N ARG 3.A O no hydrogen 3.028 N/A CYS 6.A SG LYS 1.A O no hydrogen 3.868 N/A CYS 6.A SG THR 28.A OG1 no hydrogen 3.521 N/A PHE 7.A N PRO 4.A O no hydrogen 3.156 N/A GLU 8.A N ARG 25.A O no hydrogen 2.748 N/A LEU 10.A N GLN 23.A O no hydrogen 2.836 N/A ARG 11.A NE GLN 23.A OE1 no hydrogen 3.029 N/A LEU 13.A N VAL 21.A O no hydrogen 2.692 N/A GLY 14.A N VAL 21.A O no hydrogen 3.096 N/A GLY 16.A N GLY 19.A O no hydrogen 2.877 N/A GLY 17.A N GLU 158.A O no hydrogen 3.136 N/A TYR 18.A OH ASP 52.A OD2 no hydrogen 2.610 N/A TYR 18.A OH HIS 164.A NE2 no hydrogen 2.951 N/A LYS 20.A N VAL 40.A O no hydrogen 2.981 N/A VAL 21.A N GLY 14.A O no hydrogen 2.889 N/A PHE 22.A N MET 38.A O no hydrogen 2.705 N/A GLN 23.A N ARG 11.A O no hydrogen 2.926 N/A VAL 24.A N PHE 36.A O no hydrogen 2.872 N/A ARG 25.A N GLU 8.A O no hydrogen 2.834 N/A ARG 25.A NH2 GLU 8.A OE2 no hydrogen 2.516 N/A LYS 26.A N LYS 34.A O no hydrogen 2.881 N/A LYS 26.A NZ THR 28.A O no hydrogen 2.605 N/A VAL 27.A N CYS 6.A O no hydrogen 2.887 N/A ASN 31.A ND2 TYR 76.A OH no hydrogen 2.989 N/A THR 32.A N GLY 29.A O no hydrogen 2.939 N/A THR 32.A OG1 GLY 29.A O no hydrogen 2.703 N/A GLY 33.A N LYS 26.A O no hydrogen 2.653 N/A LYS 34.A N ASN 31.A O no hydrogen 2.883 N/A PHE 36.A N VAL 24.A O no hydrogen 2.803 N/A ALA 37.A N LEU 88.A O no hydrogen 2.872 N/A MET 38.A N PHE 22.A O no hydrogen 2.724 N/A LYS 39.A N LEU 86.A O no hydrogen 2.817 N/A LYS 39.A NZ GLU 59.A OE2 no hydrogen 2.795 N/A VAL 40.A N LYS 20.A O no hydrogen 2.752 N/A LEU 41.A N LEU 84.A O no hydrogen 2.845 N/A LYS 42.A N TYR 18.A O no hydrogen 2.734 N/A LYS 43.A N GLY 82.A O no hydrogen 2.877 N/A LYS 43.A NZ GLN 79.A OE1 no hydrogen 2.767 N/A LYS 43.A NZ THR 80.A O no hydrogen 2.719 N/A ILE 46.A N LYS 42.A O no hydrogen 3.300 N/A VAL 47.A N LYS 43.A O no hydrogen 2.861 N/A ASN 49.A N ILE 46.A O no hydrogen 3.040 N/A ASP 52.A N ASN 49.A OD1 no hydrogen 2.753 N/A THR 53.A N ASN 49.A O no hydrogen 3.010 N/A THR 53.A OG1 ILE 46.A O no hydrogen 3.082 N/A THR 53.A OG1 ASN 49.A O no hydrogen 3.027 N/A ALA 54.A N ALA 50.A O no hydrogen 3.070 N/A HIS 55.A N LYS 51.A O no hydrogen 2.760 N/A HIS 55.A ND1 HIS 55.A O no hydrogen 2.734 N/A THR 56.A N ASP 52.A O no hydrogen 2.809 N/A THR 56.A OG1 ASP 52.A O no hydrogen 3.028 N/A LYS 57.A N THR 53.A O no hydrogen 3.159 N/A ALA 58.A N ALA 54.A O no hydrogen 2.803 N/A GLU 59.A N HIS 55.A O no hydrogen 3.007 N/A ARG 60.A N THR 56.A O no hydrogen 3.354 N/A ARG 60.A NE GLU 64.A OE2 no hydrogen 3.033 N/A ASN 61.A N LYS 57.A O no hydrogen 3.020 N/A ILE 62.A N ALA 58.A O no hydrogen 2.814 N/A LEU 63.A N GLU 59.A O no hydrogen 3.011 N/A GLU 64.A N ARG 60.A O no hydrogen 2.975 N/A GLU 65.A N ILE 62.A O no hydrogen 2.968 N/A VAL 66.A N ILE 62.A O no hydrogen 2.914 N/A LYS 67.A N HIS 124.A NE2 no hydrogen 3.406 N/A PHE 70.A N HIS 68.A ND1 no hydrogen 3.157 N/A ILE 71.A N HIS 68.A O no hydrogen 3.233 N/A VAL 72.A N LEU 150.A O no hydrogen 3.024 N/A ASP 73.A N GLU 89.A OE2 no hydrogen 2.764 N/A ILE 75.A N ILE 87.A O no hydrogen 2.664 N/A TYR 76.A N ILE 87.A O no hydrogen 3.246 N/A PHE 78.A N TYR 85.A O no hydrogen 3.195 N/A THR 80.A N LYS 83.A O no hydrogen 2.897 N/A THR 80.A OG1 LYS 83.A O no hydrogen 3.472 N/A LYS 83.A N THR 80.A OG1 no hydrogen 3.205 N/A LEU 84.A N LEU 41.A O no hydrogen 3.036 N/A TYR 85.A N PHE 78.A O no hydrogen 2.838 N/A LEU 86.A N LYS 39.A O no hydrogen 2.890 N/A ILE 87.A N TYR 76.A O no hydrogen 2.759 N/A LEU 88.A N ALA 37.A O no hydrogen 2.760 N/A GLU 89.A N ASP 73.A O no hydrogen 2.993 N/A LEU 96.A N ILE 140.A O no hydrogen 2.725 N/A PHE 97.A N PRO 137.A O no hydrogen 3.087 N/A MET 98.A N GLU 95.A O no hydrogen 3.104 N/A GLN 99.A NE2 GLN 286.A OE1 no hydrogen 3.075 N/A LEU 100.A N LEU 96.A O no hydrogen 3.210 N/A GLU 101.A N PHE 97.A O no hydrogen 2.859 N/A ARG 102.A N MET 98.A O no hydrogen 2.979 N/A ARG 102.A NE GLU 103.A OE2 no hydrogen 2.875 N/A ARG 102.A NH1 GLN 99.A OE1 no hydrogen 2.858 N/A ARG 102.A NH2 GLN 99.A OE1 no hydrogen 2.781 N/A ARG 102.A NH2 GLU 103.A OE2 no hydrogen 2.974 N/A GLU 103.A N GLN 99.A O no hydrogen 2.905 N/A GLY 104.A N LEU 100.A O no hydrogen 2.819 N/A ILE 105.A N GLU 103.A O no hydrogen 2.812 N/A PHE 106.A N MET 198.A O no hydrogen 2.750 N/A ALA 111.A N MET 107.A O no hydrogen 3.128 N/A CYS 112.A N GLU 108.A O no hydrogen 2.888 N/A CYS 112.A SG PHE 263.A O no hydrogen 3.594 N/A PHE 113.A N ASP 109.A O no hydrogen 3.268 N/A TYR 114.A N THR 110.A O no hydrogen 3.455 N/A LEU 115.A N ALA 111.A O no hydrogen 2.979 N/A ALA 116.A N CYS 112.A O no hydrogen 2.838 N/A GLU 117.A N PHE 113.A O no hydrogen 3.189 N/A ILE 118.A N TYR 114.A O no hydrogen 2.962 N/A SER 119.A N LEU 115.A O no hydrogen 2.887 N/A SER 119.A OG ALA 116.A O no hydrogen 2.679 N/A MET 120.A N ALA 116.A O no hydrogen 3.327 N/A MET 120.A N GLU 117.A O no hydrogen 3.101 N/A ALA 121.A N GLU 117.A O no hydrogen 3.152 N/A LEU 122.A N ILE 118.A O no hydrogen 2.889 N/A GLY 123.A N SER 119.A O no hydrogen 3.007 N/A HIS 124.A N MET 120.A O no hydrogen 3.097 N/A LEU 125.A N ALA 121.A O no hydrogen 3.012 N/A HIS 126.A N LEU 122.A O no hydrogen 2.878 N/A HIS 126.A ND1 ASP 254.A OD1 no hydrogen 2.941 N/A HIS 126.A ND1 ASP 254.A OD2 no hydrogen 3.204 N/A HIS 126.A NE2 ASP 187.A OD2 no hydrogen 2.481 N/A GLN 127.A N GLY 123.A O no hydrogen 3.030 N/A LYS 128.A N HIS 124.A O no hydrogen 3.279 N/A LYS 128.A N LEU 125.A O no hydrogen 2.948 N/A LYS 128.A NZ GLU 65.A OE2 no hydrogen 2.408 N/A GLY 129.A N HIS 126.A O no hydrogen 2.946 N/A ILE 130.A N LEU 125.A O no hydrogen 2.746 N/A TYR 132.A N ASP 187.A OD2 no hydrogen 2.927 N/A TYR 132.A OH ASN 139.A O no hydrogen 2.646 N/A ARG 133.A N ASP 187.A OD1 no hydrogen 2.662 N/A ASP 134.A N TYR 132.A O no hydrogen 2.948 N/A LEU 135.A N SER 190.A OG no hydrogen 2.869 N/A LYS 136.A N ASP 134.A OD1 no hydrogen 3.206 N/A ASN 139.A N LYS 136.A O no hydrogen 2.831 N/A ASN 139.A ND2 ASP 134.A O no hydrogen 2.993 N/A MET 141.A N LYS 149.A O no hydrogen 2.916 N/A LEU 142.A N GLY 94.A O no hydrogen 2.795 N/A ASN 143.A N HIS 147.A O no hydrogen 2.794 N/A ASN 143.A ND2 GLN 145.A OE1 no hydrogen 2.895 N/A GLN 145.A N ASN 143.A OD1 no hydrogen 3.002 N/A GLY 146.A N ASN 143.A O no hydrogen 2.996 N/A GLY 146.A N ASN 143.A OD1 no hydrogen 2.991 N/A HIS 147.A N ASN 143.A OD1 no hydrogen 2.907 N/A HIS 147.A ND1 GLU 117.A OE2 no hydrogen 2.635 N/A VAL 148.A N GLU 117.A OE1 no hydrogen 2.969 N/A LYS 149.A N MET 141.A O no hydrogen 2.789 N/A LYS 149.A NZ PRO 69.A O no hydrogen 2.944 N/A LYS 149.A NZ GLU 89.A OE2 no hydrogen 2.937 N/A LEU 150.A N PHE 70.A O no hydrogen 2.825 N/A THR 151.A N TYR 132.A OH no hydrogen 3.167 N/A THR 151.A OG1 ASN 139.A O no hydrogen 3.567 N/A ASP 152.A N TYR 132.A OH no hydrogen 2.900 N/A CYS 156.A SG HIS 161.A ND1 no hydrogen 3.667 N/A CYS 166.A N HIS 164.A O no hydrogen 3.374 N/A CYS 166.A SG HIS 164.A ND1 no hydrogen 3.599 N/A THR 168.A OG1 GLU 170.A OE2 no hydrogen 3.148 N/A GLU 170.A N THR 168.A OG1 no hydrogen 3.151 N/A TYR 171.A OH ASP 197.A OD1 no hydrogen 2.469 N/A MET 172.A N ILE 169.A O no hydrogen 3.104 N/A GLU 175.A N GLU 175.A OE1 no hydrogen 2.687 N/A ILE 176.A N ALA 173.A O no hydrogen 2.941 N/A LEU 177.A N ALA 173.A O no hydrogen 3.289 N/A MET 178.A N PRO 174.A O no hydrogen 3.000 N/A ARG 179.A N ILE 176.A O no hydrogen 3.097 N/A SER 180.A N GLU 175.A O no hydrogen 3.310 N/A ARG 184.A NH1 GLY 251.A O no hydrogen 3.059 N/A ARG 184.A NH1 ASP 254.A OD1 no hydrogen 2.834 N/A ARG 184.A NH2 GLY 251.A O no hydrogen 2.631 N/A ALA 185.A N ASN 183.A OD1 no hydrogen 3.007 N/A VAL 186.A N ASN 183.A O no hydrogen 3.117 N/A ASP 187.A N ARG 184.A O no hydrogen 3.027 N/A TRP 188.A N ALA 185.A O no hydrogen 3.177 N/A TRP 188.A NE1 ASP 254.A OD1 no hydrogen 2.964 N/A TRP 189.A N ALA 185.A O no hydrogen 3.131 N/A SER 190.A N VAL 186.A O no hydrogen 3.048 N/A SER 190.A OG TYR 171.A O no hydrogen 2.725 N/A LEU 191.A N ASP 187.A O no hydrogen 2.894 N/A GLY 192.A N TRP 188.A O no hydrogen 3.193 N/A ALA 193.A N TRP 189.A O no hydrogen 3.010 N/A LEU 194.A N SER 190.A O no hydrogen 2.933 N/A MET 195.A N LEU 191.A O no hydrogen 2.924 N/A TYR 196.A N GLY 192.A O no hydrogen 2.853 N/A TYR 196.A OH ASN 223.A O no hydrogen 2.545 N/A ASP 197.A N ALA 193.A O no hydrogen 2.938 N/A MET 198.A N LEU 194.A O no hydrogen 2.834 N/A LEU 199.A N MET 195.A O no hydrogen 3.037 N/A LEU 199.A N TYR 196.A O no hydrogen 3.241 N/A THR 200.A OG1 TYR 196.A O no hydrogen 2.832 N/A GLY 201.A N ASP 197.A O no hydrogen 2.980 N/A ALA 202.A N THR 200.A OG1 no hydrogen 3.420 N/A GLY 207.A N THR 213.A OG1 no hydrogen 3.048 N/A ARG 210.A NH1 PHE 165.A O no hydrogen 3.087 N/A LYS 211.A NZ ASP 215.A OD1 no hydrogen 3.361 N/A LYS 212.A N ASN 209.A OD1 no hydrogen 2.616 N/A THR 213.A N ASN 209.A O no hydrogen 2.903 N/A THR 213.A OG1 ASN 209.A O no hydrogen 2.778 N/A ILE 214.A N ARG 210.A O no hydrogen 2.980 N/A ASP 215.A N LYS 211.A O no hydrogen 3.136 N/A LYS 216.A N LYS 212.A O no hydrogen 3.107 N/A LYS 216.A NZ THR 206.A O no hydrogen 2.618 N/A ILE 217.A N THR 213.A O no hydrogen 3.048 N/A LEU 218.A N ILE 214.A O no hydrogen 2.991 N/A LYS 219.A N ASP 215.A O no hydrogen 3.026 N/A CYS 220.A N LYS 216.A O no hydrogen 2.872 N/A CYS 220.A SG LEU 240.A O no hydrogen 3.418 N/A THR 229.A N GLU 108.A OE1 no hydrogen 2.872 N/A THR 229.A OG1 GLU 108.A OE1 no hydrogen 3.337 N/A THR 229.A OG1 GLU 108.A OE2 no hydrogen 2.543 N/A GLU 231.A N GLU 231.A OE1 no hydrogen 2.871 N/A ALA 232.A N THR 229.A OG1 no hydrogen 3.085 N/A ARG 233.A N THR 229.A O no hydrogen 2.979 N/A ASP 234.A N GLN 230.A O no hydrogen 2.893 N/A LEU 235.A N GLU 231.A O no hydrogen 2.993 N/A LEU 236.A N ALA 232.A O no hydrogen 3.010 N/A LYS 237.A N ARG 233.A O no hydrogen 3.015 N/A LYS 238.A N ASP 234.A O no hydrogen 3.167 N/A LYS 238.A N LEU 235.A O no hydrogen 3.155 N/A LYS 238.A NZ ASP 234.A OD2 no hydrogen 2.804 N/A LEU 239.A N LEU 235.A O no hydrogen 3.103 N/A LEU 239.A N LEU 236.A O no hydrogen 3.144 N/A LEU 240.A N LEU 236.A O no hydrogen 2.895 N/A LYS 241.A N LEU 239.A O no hydrogen 3.015 N/A LYS 241.A NZ SER 246.A O no hydrogen 3.359 N/A ARG 242.A NE LEU 218.A O no hydrogen 2.961 N/A SER 246.A N ASN 243.A O no hydrogen 3.088 N/A SER 246.A OG ASN 243.A O no hydrogen 2.998 N/A ARG 247.A N ALA 244.A O no hydrogen 3.171 N/A ARG 247.A NE LYS 241.A O no hydrogen 2.712 N/A ARG 247.A NH1 GLU 175.A OE2 no hydrogen 2.800 N/A ARG 247.A NH1 ALA 185.A O no hydrogen 3.092 N/A ARG 247.A NH2 GLU 175.A OE1 no hydrogen 2.900 N/A ARG 247.A NH2 GLU 175.A OE2 no hydrogen 3.370 N/A ARG 247.A NH2 LYS 241.A O no hydrogen 2.978 N/A LEU 248.A N LYS 238.A O no hydrogen 2.880 N/A GLY 249.A N GLU 257.A OE1 no hydrogen 2.784 N/A ALA 250.A N ARG 247.A O no hydrogen 2.930 N/A GLY 251.A N GLU 257.A OE1 no hydrogen 3.369 N/A ASP 254.A N GLY 251.A O no hydrogen 3.187 N/A GLU 257.A N ASP 254.A O no hydrogen 2.773 N/A GLN 259.A N ALA 255.A O no hydrogen 2.819 N/A GLN 259.A NE2 SER 119.A OG no hydrogen 3.070 N/A ALA 260.A N GLY 256.A O no hydrogen 3.213 N/A HIS 261.A N VAL 258.A O no hydrogen 3.016 N/A HIS 261.A NE2 ASP 234.A OD2 no hydrogen 2.800 N/A PHE 263.A N HIS 261.A ND1 no hydrogen 3.003 N/A PHE 264.A N HIS 261.A O no hydrogen 2.942 N/A ARG 265.A N PRO 262.A O no hydrogen 3.084 N/A ARG 265.A NH1 PRO 262.A O no hydrogen 2.983 N/A ILE 267.A N PHE 264.A O no hydrogen 2.961 N/A GLU 271.A N ASN 268.A OD1 no hydrogen 3.055 N/A LEU 272.A N ASN 268.A O no hydrogen 2.893 N/A LEU 273.A N TRP 269.A O no hydrogen 2.949 N/A ALA 274.A N GLU 270.A O no hydrogen 3.164 N/A ARG 275.A N LEU 272.A O no hydrogen 2.790 N/A LYS 276.A N GLU 271.A O no hydrogen 2.866 N/A LYS 282.A NZ GLU 278.A OE2 no hydrogen 2.796 N/A LYS 282.A NZ PRO 279.A O no hydrogen 3.199 N/A LEU 285.A N LYS 282.A O no hydrogen 2.794 N/A GLN 286.A N PRO 283.A O no hydrogen 3.083 N/A GLN 286.A NE2 GLN 99.A OE1 no hydrogen 2.903 N/A