Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a5j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A N GLU 4.A OE2 no hydrogen 3.211 N/A GLU 6.A N GLU 2.A O no hydrogen 2.077 N/A PHE 7.A N MET 3.A O no hydrogen 2.610 N/A GLU 8.A N GLU 4.A O no hydrogen 3.129 N/A GLN 9.A N LYS 5.A O no hydrogen 2.831 N/A ILE 10.A N GLU 6.A O no hydrogen 3.171 N/A ASP 11.A N PHE 7.A O no hydrogen 2.879 N/A LYS 12.A N GLU 8.A O no hydrogen 2.754 N/A SER 13.A N GLN 9.A O no hydrogen 3.080 N/A SER 13.A OG GLN 9.A O no hydrogen 2.939 N/A GLY 14.A N ASP 11.A O no hydrogen 3.043 N/A SER 15.A N ILE 10.A O no hydrogen 3.332 N/A TRP 16.A NE1 ASP 11.A OD2 no hydrogen 2.775 N/A ILE 19.A N SER 15.A O no hydrogen 2.908 N/A TYR 20.A N TRP 16.A O no hydrogen 2.890 N/A TYR 20.A OH ILE 261.A O no hydrogen 2.567 N/A GLN 21.A N ALA 17.A O no hydrogen 2.839 N/A ASP 22.A N ALA 18.A O no hydrogen 2.896 N/A ILE 23.A N ILE 19.A O no hydrogen 3.060 N/A ARG 24.A N TYR 20.A O no hydrogen 3.029 N/A HIS 25.A N GLN 21.A O no hydrogen 3.097 N/A GLU 26.A N ASP 22.A O no hydrogen 2.895 N/A ALA 27.A N ILE 23.A O no hydrogen 2.893 N/A CYS 32.A SG PHE 30.A O no hydrogen 3.916 N/A CYS 32.A SG SER 50.A O no hydrogen 3.922 N/A CYS 32.A SG PRO 51.A O no hydrogen 3.241 N/A ARG 33.A N ASP 53.A OD2 no hydrogen 2.737 N/A VAL 34.A N ASP 53.A OD1 no hydrogen 2.932 N/A LYS 36.A N CYS 32.A O no hydrogen 3.194 N/A LYS 36.A N ARG 33.A O no hydrogen 3.226 N/A LYS 36.A NZ ARG 47.A O no hydrogen 3.400 N/A LEU 37.A N VAL 34.A O no hydrogen 3.069 N/A ASN 40.A N LEU 37.A O no hydrogen 2.872 N/A ASN 40.A ND2 VAL 34.A O no hydrogen 2.843 N/A LYS 41.A N PRO 38.A O no hydrogen 3.151 N/A ARG 43.A N ASN 40.A O no hydrogen 2.875 N/A ARG 43.A NH1 ASN 64.A O no hydrogen 3.472 N/A ARG 43.A NH1 TYR 66.A O no hydrogen 2.889 N/A ASN 44.A ND2 ALA 35.A O no hydrogen 2.982 N/A ARG 45.A NE GLY 86.A O no hydrogen 2.892 N/A ARG 45.A NH2 GLY 86.A O no hydrogen 3.322 N/A ARG 45.A NH2 PRO 87.A O no hydrogen 2.617 N/A TYR 46.A OH SER 216.A OG no hydrogen 2.849 N/A VAL 49.A N TYR 46.A O no hydrogen 3.003 N/A ASP 53.A N PRO 31.A O no hydrogen 2.839 N/A HIS 54.A NE2 LYS 255.A O no hydrogen 2.777 N/A SER 55.A OG PHE 256.A O no hydrogen 2.663 N/A ARG 56.A NH1 ASP 65.A OD2 no hydrogen 2.874 N/A ARG 56.A NH2 ASP 65.A OD1 no hydrogen 3.134 N/A ARG 56.A NH2 ASP 65.A OD2 no hydrogen 3.199 N/A ILE 57.A N ALA 69.A O no hydrogen 3.011 N/A LEU 59.A N ASP 65.A O no hydrogen 2.821 N/A HIS 60.A N GLU 101.A OE1 no hydrogen 2.851 N/A GLN 61.A N GLU 97.A OE1 no hydrogen 3.032 N/A GLN 61.A NE2 THR 138.A O no hydrogen 3.149 N/A ASN 64.A ND2 ASN 40.A OD1 no hydrogen 2.920 N/A TYR 66.A N ASN 64.A OD1 no hydrogen 3.007 N/A TYR 66.A OH ASN 44.A OD1 no hydrogen 2.597 N/A ASN 68.A ND2 ASN 44.A OD1 no hydrogen 2.917 N/A ASN 68.A ND2 VAL 49.A O no hydrogen 2.857 N/A SER 70.A N LEU 83.A O no hydrogen 2.872 N/A LEU 71.A N SER 55.A O no hydrogen 2.783 N/A ILE 72.A N TYR 81.A O no hydrogen 2.772 N/A MET 74.A N ARG 79.A O no hydrogen 2.962 N/A GLN 78.A N MET 74.A O no hydrogen 2.884 N/A ARG 79.A N MET 74.A O no hydrogen 3.404 N/A ARG 79.A NE ASP 229.A OD2 no hydrogen 3.194 N/A ARG 79.A NH1 LEU 204.A O no hydrogen 3.430 N/A ARG 79.A NH2 ASP 229.A OD1 no hydrogen 3.173 N/A ARG 79.A NH2 ASP 229.A OD2 no hydrogen 3.002 N/A TYR 81.A N ILE 72.A O no hydrogen 2.969 N/A TYR 81.A OH ASP 229.A OD2 no hydrogen 2.650 N/A TYR 81.A OH THR 230.A OG1 no hydrogen 2.809 N/A ILE 82.A N VAL 211.A O no hydrogen 2.808 N/A LEU 83.A N SER 70.A O no hydrogen 2.983 N/A THR 84.A N VAL 213.A O no hydrogen 3.032 N/A THR 84.A OG1 ASN 68.A O no hydrogen 2.580 N/A GLN 85.A N ASN 68.A O no hydrogen 3.385 N/A GLY 86.A N SER 216.A O no hydrogen 2.849 N/A LEU 88.A N THR 91.A OG1 no hydrogen 2.848 N/A ASN 90.A ND2 ASN 42.A O no hydrogen 2.933 N/A THR 91.A N LEU 88.A O no hydrogen 2.903 N/A THR 91.A OG1 LEU 88.A O no hydrogen 3.503 N/A CYS 92.A SG LEU 88.A O no hydrogen 3.352 N/A PHE 95.A N THR 91.A O no hydrogen 2.932 N/A TRP 96.A N CYS 92.A O no hydrogen 3.055 N/A TRP 96.A NE1 TYR 124.A O no hydrogen 2.848 N/A GLU 97.A N GLY 93.A O no hydrogen 2.901 N/A MET 98.A N HIS 94.A O no hydrogen 2.911 N/A VAL 99.A N PHE 95.A O no hydrogen 3.002 N/A TRP 100.A N TRP 96.A O no hydrogen 2.905 N/A GLU 101.A N GLU 97.A O no hydrogen 2.779 N/A GLN 102.A N MET 98.A O no hydrogen 2.936 N/A LYS 103.A N TRP 100.A O no hydrogen 3.167 N/A SER 104.A N VAL 99.A O no hydrogen 3.189 N/A SER 104.A OG PRO 210.A O no hydrogen 2.679 N/A ARG 105.A NH1 GLU 170.A O no hydrogen 2.978 N/A ARG 105.A NH1 GLU 170.A OE1 no hydrogen 2.986 N/A ARG 105.A NH2 GLU 170.A OE1 no hydrogen 3.338 N/A VAL 107.A N LEU 172.A O no hydrogen 2.911 N/A VAL 108.A N VAL 212.A O no hydrogen 2.714 N/A MET 109.A N PHE 174.A O no hydrogen 2.892 N/A LEU 110.A N HIS 214.A O no hydrogen 2.997 N/A ARG 112.A N GLU 115.A OE1 no hydrogen 2.912 N/A ARG 112.A NH2 ASP 181.A OD1 no hydrogen 3.090 N/A GLU 115.A N SER 118.A O no hydrogen 2.813 N/A SER 118.A N GLU 115.A O no hydrogen 2.848 N/A SER 118.A OG LYS 116.A O no hydrogen 3.547 N/A LYS 120.A N VAL 113.A O no hydrogen 2.701 N/A LYS 120.A NZ TYR 46.A OH no hydrogen 3.079 N/A LYS 120.A NZ LEU 119.A O no hydrogen 3.445 N/A CYS 121.A SG ALA 122.A O no hydrogen 3.427 N/A ALA 122.A N PRO 87.A O no hydrogen 2.865 N/A GLN 123.A NE2 TRP 125.A O no hydrogen 2.889 N/A TYR 124.A OH HIS 173.A NE2 no hydrogen 2.810 N/A TYR 124.A OH HIS 214.A NE2 no hydrogen 2.537 N/A GLU 129.A N GLU 129.A OE2 no hydrogen 2.734 N/A GLU 130.A N GLU 130.A OE2 no hydrogen 2.707 N/A LYS 131.A N LYS 128.A O no hydrogen 3.060 N/A GLU 132.A N GLU 132.A OE1 no hydrogen 2.695 N/A MET 133.A N LEU 142.A O no hydrogen 2.913 N/A PHE 135.A N LEU 140.A O no hydrogen 2.782 N/A THR 138.A OG1 GLY 93.A O no hydrogen 3.063 N/A LEU 140.A N PHE 135.A O no hydrogen 3.231 N/A LYS 141.A N GLU 161.A O no hydrogen 2.960 N/A LEU 142.A N MET 133.A O no hydrogen 2.802 N/A THR 143.A N GLU 159.A O no hydrogen 2.919 N/A ILE 145.A N GLN 157.A O no hydrogen 2.828 N/A SER 146.A N GLN 157.A O no hydrogen 3.392 N/A SER 146.A OG GLN 157.A OE1 no hydrogen 2.941 N/A ASP 148.A N VAL 155.A O no hydrogen 2.732 N/A LYS 150.A N TYR 153.A O no hydrogen 2.878 N/A THR 154.A N HIS 175.A O no hydrogen 2.862 N/A VAL 155.A N ASP 148.A O no hydrogen 3.024 N/A ARG 156.A N HIS 173.A O no hydrogen 2.818 N/A ARG 156.A NE GLU 147.A OE1 no hydrogen 2.979 N/A ARG 156.A NH1 HIS 173.A ND1 no hydrogen 2.926 N/A ARG 156.A NH1 HIS 175.A ND1 no hydrogen 3.025 N/A ARG 156.A NH2 HIS 175.A ND1 no hydrogen 3.445 N/A GLN 157.A N SER 146.A O no hydrogen 2.823 N/A LEU 158.A N ILE 171.A O no hydrogen 2.896 N/A GLU 159.A N THR 143.A O no hydrogen 2.778 N/A LEU 160.A N ARG 169.A O no hydrogen 2.873 N/A GLU 161.A N LYS 141.A O no hydrogen 2.712 N/A ASN 162.A N GLU 167.A O no hydrogen 2.912 N/A LEU 163.A N ASN 139.A O no hydrogen 2.840 N/A THR 164.A N ASN 162.A OD1 no hydrogen 2.978 N/A THR 164.A OG1 ASN 139.A OD1 no hydrogen 2.852 N/A THR 165.A N ASN 162.A O no hydrogen 3.228 N/A GLN 166.A N ASN 162.A O no hydrogen 2.789 N/A GLU 167.A N THR 165.A OG1 no hydrogen 3.191 N/A ARG 169.A N LEU 160.A O no hydrogen 2.921 N/A ARG 169.A NE GLU 167.A OE2 no hydrogen 3.148 N/A ARG 169.A NH1 TRP 100.A O no hydrogen 2.817 N/A ARG 169.A NH2 GLU 167.A OE2 no hydrogen 3.359 N/A ILE 171.A N LEU 158.A O no hydrogen 2.967 N/A LEU 172.A N ARG 105.A O no hydrogen 2.911 N/A HIS 173.A N ARG 156.A O no hydrogen 2.839 N/A HIS 173.A NE2 TYR 124.A OH no hydrogen 2.810 N/A PHE 174.A N VAL 107.A O no hydrogen 2.754 N/A HIS 175.A N THR 154.A O no hydrogen 2.834 N/A HIS 175.A NE2 ASN 111.A O no hydrogen 2.838 N/A TYR 176.A N MET 109.A O no hydrogen 2.844 N/A TYR 176.A OH SER 190.A OG no hydrogen 2.695 N/A THR 177.A N TYR 152.A O no hydrogen 3.121 N/A THR 178.A OG1 TYR 152.A O no hydrogen 3.197 N/A TRP 179.A NE1 GLY 183.A O no hydrogen 3.185 N/A ALA 189.A N SER 187.A OG no hydrogen 3.102 N/A SER 190.A OG TYR 176.A OH no hydrogen 2.695 N/A LEU 192.A N PRO 188.A O no hydrogen 2.850 N/A ASN 193.A N ALA 189.A O no hydrogen 2.957 N/A PHE 194.A N SER 190.A O no hydrogen 2.779 N/A LEU 195.A N PHE 191.A O no hydrogen 2.875 N/A PHE 196.A N LEU 192.A O no hydrogen 2.842 N/A LYS 197.A N ASN 193.A O no hydrogen 2.936 N/A LYS 197.A NZ GLU 200.A OE1 no hydrogen 3.524 N/A VAL 198.A N PHE 194.A O no hydrogen 2.847 N/A ARG 199.A N LEU 195.A O no hydrogen 2.845 N/A ARG 199.A NE ASP 229.A OD1 no hydrogen 2.748 N/A ARG 199.A NH2 ASP 229.A O no hydrogen 3.277 N/A ARG 199.A NH2 ASP 229.A OD1 no hydrogen 2.889 N/A GLU 200.A N PHE 196.A O no hydrogen 2.787 N/A SER 201.A N LYS 197.A O no hydrogen 3.135 N/A SER 201.A N VAL 198.A O no hydrogen 3.210 N/A SER 201.A OG VAL 198.A O no hydrogen 2.580 N/A SER 201.A OG SER 203.A OG no hydrogen 2.802 N/A GLY 202.A N ARG 199.A O no hydrogen 3.166 N/A SER 203.A N SER 201.A OG no hydrogen 2.978 N/A SER 203.A OG SER 201.A OG no hydrogen 2.802 N/A SER 205.A N GLY 202.A O no hydrogen 3.067 N/A GLU 207.A N SER 205.A OG no hydrogen 2.877 N/A HIS 208.A N SER 205.A O no hydrogen 3.149 N/A HIS 208.A ND1 GLY 202.A O no hydrogen 3.103 N/A GLY 209.A N LYS 103.A O no hydrogen 2.892 N/A VAL 212.A N GLY 106.A O no hydrogen 3.178 N/A VAL 213.A N ILE 82.A O no hydrogen 2.723 N/A HIS 214.A N VAL 108.A O no hydrogen 2.821 N/A HIS 214.A ND1 CYS 215.A O no hydrogen 3.012 N/A HIS 214.A NE2 TYR 124.A OH no hydrogen 2.537 N/A CYS 215.A SG SER 222.A OG no hydrogen 3.259 N/A SER 216.A OG TYR 46.A OH no hydrogen 2.849 N/A SER 216.A OG LYS 120.A O no hydrogen 2.778 N/A ARG 221.A NH1 LEU 110.A O no hydrogen 2.953 N/A ARG 221.A NH1 GLU 115.A OE1 no hydrogen 2.891 N/A ARG 221.A NH1 GLU 115.A OE2 no hydrogen 3.448 N/A ARG 221.A NH2 GLU 115.A OE2 no hydrogen 2.865 N/A THR 224.A N GLY 220.A O no hydrogen 2.912 N/A THR 224.A OG1 GLY 220.A O no hydrogen 3.249 N/A PHE 225.A N ARG 221.A O no hydrogen 3.021 N/A CYS 226.A N SER 222.A O no hydrogen 3.097 N/A CYS 226.A SG SER 222.A O no hydrogen 3.512 N/A LEU 227.A N GLY 223.A O no hydrogen 2.735 N/A ALA 228.A N THR 224.A O no hydrogen 3.031 N/A ASP 229.A N PHE 225.A O no hydrogen 3.034 N/A THR 230.A N CYS 226.A O no hydrogen 2.955 N/A THR 230.A OG1 TYR 81.A OH no hydrogen 2.809 N/A THR 230.A OG1 CYS 226.A O no hydrogen 3.100 N/A CYS 231.A N LEU 227.A O no hydrogen 3.000 N/A CYS 231.A SG LEU 227.A O no hydrogen 3.303 N/A LEU 232.A N ALA 228.A O no hydrogen 3.005 N/A LEU 233.A N ASP 229.A O no hydrogen 2.971 N/A LEU 234.A N THR 230.A O no hydrogen 2.923 N/A MET 235.A N CYS 231.A O no hydrogen 2.802 N/A ASP 236.A N LEU 232.A O no hydrogen 3.007 N/A ASP 236.A N LEU 233.A O no hydrogen 3.028 N/A LYS 237.A N LEU 233.A O no hydrogen 2.859 N/A LYS 237.A NZ ALA 77.A O no hydrogen 3.176 N/A ARG 238.A N LEU 234.A O no hydrogen 2.998 N/A ARG 238.A NE GLU 76.A OE2 no hydrogen 2.804 N/A ARG 238.A NH1 SER 243.A OG no hydrogen 3.036 N/A ARG 238.A NH2 GLU 76.A OE1 no hydrogen 2.874 N/A ARG 238.A NH2 GLU 76.A OE2 no hydrogen 3.388 N/A SER 242.A OG ASP 240.A OD1 no hydrogen 2.536 N/A SER 242.A OG ASP 240.A OD2 no hydrogen 2.931 N/A SER 243.A N ASP 240.A O no hydrogen 2.976 N/A SER 243.A OG ASP 240.A O no hydrogen 2.854 N/A VAL 244.A N PRO 241.A O no hydrogen 3.405 N/A LYS 247.A NZ GLU 26.A OE1 no hydrogen 3.466 N/A LYS 247.A NZ GLU 26.A OE2 no hydrogen 2.939 N/A LYS 248.A N ASP 245.A OD2 no hydrogen 3.243 N/A LYS 248.A NZ ASP 245.A OD1 no hydrogen 2.371 N/A VAL 249.A N ASP 245.A O no hydrogen 2.993 N/A LEU 250.A N ILE 246.A O no hydrogen 2.823 N/A LEU 251.A N LYS 247.A O no hydrogen 2.959 N/A GLU 252.A N LYS 248.A O no hydrogen 2.901 N/A MET 253.A N VAL 249.A O no hydrogen 2.895 N/A ARG 254.A N LEU 250.A O no hydrogen 2.860 N/A ARG 254.A NE LEU 260.A O no hydrogen 2.936 N/A ARG 254.A NH2 LEU 260.A O no hydrogen 3.140 N/A ARG 254.A NH2 ILE 261.A O no hydrogen 2.899 N/A LYS 255.A N GLU 252.A O no hydrogen 3.021 N/A LYS 255.A NZ GLU 252.A OE1 no hydrogen 2.664 N/A PHE 256.A N MET 253.A O no hydrogen 2.895 N/A ARG 257.A NE GLY 218.A O no hydrogen 3.011 N/A ARG 257.A NH1 ASN 68.A OD1 no hydrogen 3.117 N/A ARG 257.A NH1 SER 70.A OG no hydrogen 2.924 N/A ARG 257.A NH2 ASN 68.A OD1 no hydrogen 2.951 N/A ARG 257.A NH2 ALA 217.A O no hydrogen 2.953 N/A ILE 261.A N ILE 219.A O no hydrogen 2.833 N/A GLN 262.A N GLN 266.A OE1 no hydrogen 2.744 N/A GLN 266.A N THR 263.A OG1 no hydrogen 2.900 N/A LEU 267.A N THR 263.A O no hydrogen 3.015 N/A ARG 268.A N ALA 264.A O no hydrogen 2.819 N/A ARG 268.A NE ASP 11.A OD2 no hydrogen 2.882 N/A ARG 268.A NH2 ASP 11.A OD1 no hydrogen 2.988 N/A PHE 269.A N ASP 265.A O no hydrogen 2.847 N/A SER 270.A N GLN 266.A O no hydrogen 2.964 N/A SER 270.A OG GLN 266.A O no hydrogen 2.907 N/A TYR 271.A N LEU 267.A O no hydrogen 3.135 N/A LEU 272.A N ARG 268.A O no hydrogen 2.931 N/A ALA 273.A N PHE 269.A O no hydrogen 2.836 N/A VAL 274.A N SER 270.A O no hydrogen 2.884 N/A ILE 275.A N TYR 271.A O no hydrogen 2.844 N/A GLU 276.A N LEU 272.A O no hydrogen 2.978 N/A GLY 277.A N ALA 273.A O no hydrogen 2.906 N/A ALA 278.A N VAL 274.A O no hydrogen 3.030 N/A LYS 279.A NZ GLU 4.A OE1 no hydrogen 3.401 N/A PHE 280.A N GLU 276.A O no hydrogen 3.417 N/A ILE 281.A N GLY 277.A O no hydrogen 2.660 N/A