Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4n3d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 4.A N LYS 1.A O.A no hydrogen 3.160 N/A GLU 4.A N LYS 1.A O.B no hydrogen 3.167 N/A LEU 5.A N GLY 2.A O no hydrogen 3.045 N/A PHE 6.A N GLU 3.A O no hydrogen 3.082 N/A THR 7.A OG1 GLU 4.A O no hydrogen 3.485 N/A VAL 10.A N GLY 33.A O no hydrogen 2.884 N/A ILE 12.A N GLY 31.A O no hydrogen 2.883 N/A LEU 13.A N LEU 114.A O no hydrogen 2.968 N/A VAL 14.A N GLY 29.A O no hydrogen 2.884 N/A GLU 15.A N ASN 116.A O no hydrogen 2.895 N/A LEU 16.A N VAL 27.A O no hydrogen 2.854 N/A ASP 17.A N.A ILE 118.A O no hydrogen 3.010 N/A ASP 17.A N.B ILE 118.A O no hydrogen 2.985 N/A GLY 18.A N PHE 25.A O no hydrogen 2.840 N/A ASP 19.A N LEU 120.A O no hydrogen 3.025 N/A VAL 20.A N HIS 23.A O no hydrogen 2.931 N/A ASN 21.A N GLY 122.A O no hydrogen 2.912 N/A ASN 21.A ND2 PHE 125.A O no hydrogen 2.866 N/A GLY 22.A N ASP 19.A OD1 no hydrogen 2.916 N/A HIS 23.A N VAL 20.A O no hydrogen 2.815 N/A LYS 24.A NZ ASP 19.A OD2 no hydrogen 3.137 N/A PHE 25.A N GLY 18.A O no hydrogen 2.956 N/A SER 26.A N THR 48.A OG1 no hydrogen 3.026 N/A SER 26.A OG ASP 17.A OD1.B no hydrogen 2.829 N/A VAL 27.A N LEU 16.A O no hydrogen 2.938 N/A SER 28.A N ILE 45.A O no hydrogen 2.993 N/A SER 28.A OG.A GLU 15.A OE1 no hydrogen 2.665 N/A GLY 29.A N VAL 14.A O no hydrogen 2.802 N/A GLU 30.A N LYS 43.A O no hydrogen 3.023 N/A GLY 31.A N ILE 12.A O no hydrogen 3.179 N/A GLU 32.A N THR 41.A O.A no hydrogen 2.893 N/A GLU 32.A N THR 41.A O.B no hydrogen 2.944 N/A GLY 33.A N VAL 10.A O no hydrogen 2.872 N/A ASP 34.A N LYS 39.A O no hydrogen 2.835 N/A THR 36.A OG1 THR 7.A O no hydrogen 3.265 N/A TYR 37.A N ASP 34.A O no hydrogen 2.973 N/A GLY 38.A N ALA 35.A O no hydrogen 3.062 N/A LYS 39.A N ASP 34.A O no hydrogen 3.078 N/A LEU 40.A N GLU 217.A O no hydrogen 2.942 N/A THR 41.A N.A GLU 32.A O no hydrogen 3.026 N/A THR 41.A N.B GLU 32.A O no hydrogen 3.064 N/A THR 41.A OG1.B GLU 32.A O no hydrogen 3.505 N/A LEU 42.A N LEU 215.A O no hydrogen 2.919 N/A LYS 43.A N GLU 30.A O no hydrogen 3.012 N/A LYS 43.A NZ ASP 205.A OD2 no hydrogen 2.802 N/A LYS 43.A NZ GLU 208.A OE1 no hydrogen 2.797 N/A PHE 44.A N MET 213.A O no hydrogen 2.826 N/A ILE 45.A N SER 28.A O no hydrogen 2.796 N/A CYS 46.A N ASP 211.A O no hydrogen 2.882 N/A CYS 46.A SG SER 26.A O no hydrogen 3.585 N/A CYS 46.A SG THR 48.A OG1 no hydrogen 3.391 N/A CYS 46.A SG GLY 49.A O no hydrogen 3.161 N/A THR 47.A N SER 26.A O no hydrogen 3.017 N/A THR 47.A OG1 SER 26.A O no hydrogen 3.543 N/A LEU 51.A N ASP 211.A OD2 no hydrogen 2.877 N/A TRP 55.A NE1 ASP 211.A OD1 no hydrogen 2.891 N/A THR 57.A N PRO 54.A O no hydrogen 2.955 N/A THR 57.A OG1 PRO 54.A O no hydrogen 2.823 N/A THR 57.A OG1 TYR 101.A OH no hydrogen 2.825 N/A LEU 58.A N TRP 55.A O no hydrogen 2.922 N/A VAL 59.A N PRO 56.A O no hydrogen 3.298 N/A THR 60.A OG1 HIS 176.A NE2 no hydrogen 2.699 N/A LEU 62.A N LEU 58.A O no hydrogen 2.919 N/A PHE 66.A N VAL 63.A O no hydrogen 2.979 N/A SER 67.A N GLN 64.A O no hydrogen 3.098 N/A SER 67.A OG GLN 64.A O no hydrogen 2.773 N/A ARG 68.A N.A VAL 219.A O no hydrogen 2.927 N/A ARG 68.A N.B VAL 219.A O no hydrogen 2.952 N/A TYR 69.A OH HIS 194.A NE2 no hydrogen 2.747 N/A HIS 72.A NE2 ILE 224.A O no hydrogen 2.843 N/A MET 73.A N PRO 70.A O no hydrogen 2.816 N/A LYS 74.A N ASP 71.A O no hydrogen 3.331 N/A LYS 74.A NZ TYR 69.A O no hydrogen 2.715 N/A GLN 75.A N GLN 75.A OE1 no hydrogen 2.859 N/A HIS 76.A N MET 73.A O no hydrogen 2.930 N/A ASP 77.A N LYS 74.A O no hydrogen 3.400 N/A PHE 78.A N HIS 76.A O no hydrogen 3.190 N/A LYS 80.A N ASP 77.A OD1 no hydrogen 3.149 N/A LYS 80.A NZ CYS 65.A O no hydrogen 2.916 N/A LYS 80.A NZ SER 67.A O no hydrogen 2.915 N/A LYS 80.A NZ ASP 77.A OD2 no hydrogen 2.804 N/A SER 81.A N ASP 77.A O no hydrogen 3.332 N/A SER 81.A OG.A PHE 78.A O no hydrogen 2.807 N/A ALA 82.A N PHE 78.A O no hydrogen 3.104 N/A MET 83.A N LYS 80.A O no hydrogen 2.993 N/A GLY 86.A N ALA 82.A O no hydrogen 2.794 N/A TYR 87.A N VAL 107.A O no hydrogen 2.940 N/A VAL 88.A N THR 181.A O no hydrogen 2.820 N/A GLN 89.A N ALA 105.A O no hydrogen 2.846 N/A GLU 90.A N GLN 179.A O no hydrogen 2.858 N/A ARG 91.A N THR 103.A O no hydrogen 3.035 N/A ARG 91.A NE GLN 178.A OE1 no hydrogen 2.840 N/A ARG 91.A NH1 THR 60.A O no hydrogen 2.810 N/A ARG 91.A NH2 GLN 178.A OE1 no hydrogen 2.873 N/A THR 92.A N TYR 177.A O no hydrogen 2.989 N/A ILE 93.A N TYR 101.A O no hydrogen 2.816 N/A PHE 94.A N ASP 175.A O no hydrogen 2.881 N/A PHE 95.A N GLY 99.A O no hydrogen 3.030 N/A LYS 96.A N LEU 173.A O no hydrogen 2.944 N/A ASP 98.A N PHE 95.A O no hydrogen 2.887 N/A GLY 99.A N ASP 98.A OD1 no hydrogen 2.862 N/A ASN 100.A N ILE 123.A O no hydrogen 3.107 N/A TYR 101.A N ILE 93.A O no hydrogen 2.922 N/A TYR 101.A OH THR 57.A OG1 no hydrogen 2.825 N/A LYS 102.A N LYS 121.A O no hydrogen 2.789 N/A THR 103.A N ARG 91.A O no hydrogen 2.910 N/A ARG 104.A N GLU 119.A O no hydrogen 2.951 N/A ARG 104.A NH1 GLU 106.A OE2 no hydrogen 3.128 N/A ARG 104.A NH2 GLU 106.A OE2 no hydrogen 3.441 N/A ALA 105.A N GLN 89.A O no hydrogen 2.830 N/A GLU 106.A N ARG 117.A O no hydrogen 2.889 N/A VAL 107.A N TYR 87.A O no hydrogen 2.934 N/A LYS 108.A N.A VAL 115.A O no hydrogen 3.026 N/A LYS 108.A N.B VAL 115.A O no hydrogen 3.092 N/A LYS 108.A NZ.A GLU 106.A OE1 no hydrogen 3.322 N/A LYS 108.A NZ.B GLU 106.A OE1 no hydrogen 2.383 N/A PHE 109.A N PRO 84.A O no hydrogen 3.217 N/A GLU 110.A N THR 113.A O no hydrogen 2.871 N/A THR 113.A N GLU 110.A O no hydrogen 3.283 N/A LEU 114.A N PRO 11.A O no hydrogen 2.868 N/A VAL 115.A N LYS 108.A O.A no hydrogen 2.872 N/A VAL 115.A N LYS 108.A O.B no hydrogen 2.903 N/A ASN 116.A N LEU 13.A O no hydrogen 2.922 N/A ASN 116.A ND2 THR 61.A O no hydrogen 3.364 N/A ASN 116.A ND2 LEU 62.A O no hydrogen 2.924 N/A ARG 117.A N GLU 106.A O no hydrogen 2.960 N/A ARG 117.A NE GLU 110.A OE2 no hydrogen 2.922 N/A ARG 117.A NH2 GLU 110.A OE1 no hydrogen 2.783 N/A ILE 118.A N GLU 15.A O no hydrogen 2.774 N/A GLU 119.A N ARG 104.A O no hydrogen 2.871 N/A LEU 120.A N ASP 17.A O.A no hydrogen 2.908 N/A LEU 120.A N ASP 17.A O.B no hydrogen 2.932 N/A LYS 121.A N LYS 102.A O no hydrogen 2.919 N/A GLY 122.A N ASP 19.A O no hydrogen 2.747 N/A ILE 123.A N ASN 100.A O no hydrogen 3.027 N/A PHE 125.A N ASN 21.A OD1 no hydrogen 3.003 N/A LYS 126.A N ASP 98.A OD1 no hydrogen 2.777 N/A LYS 126.A NZ ASP 97.A O no hydrogen 2.860 N/A GLU 127.A N GLU 127.A OE1 no hydrogen 2.664 N/A GLY 129.A N LYS 126.A O no hydrogen 3.058 N/A ASN 130.A ND2 GLN 172.A OE1 no hydrogen 2.872 N/A GLY 133.A N GLY 129.A O no hydrogen 2.882 N/A HIS 134.A N ILE 131.A O no hydrogen 3.032 N/A LYS 135.A N ASN 130.A O no hydrogen 2.916 N/A LYS 135.A NZ ASP 128.A O no hydrogen 2.898 N/A LYS 135.A NZ ASP 128.A OD2 no hydrogen 3.062 N/A GLU 137.A N ASN 165.A O no hydrogen 2.879 N/A TYR 138.A OH SER 203.A O no hydrogen 2.696 N/A ASN 139.A ND2 GLU 137.A OE1 no hydrogen 2.979 N/A ASN 141.A ND2 ARG 163.A O no hydrogen 2.610 N/A ASN 141.A ND2 ASN 165.A OD1 no hydrogen 3.034 N/A HIS 143.A N THR 198.A O no hydrogen 3.202 N/A HIS 143.A N THR 198.A OG1 no hydrogen 3.020 N/A VAL 145.A N LEU 196.A O no hydrogen 2.796 N/A TYR 146.A N ASN 159.A O no hydrogen 3.077 N/A ILE 147.A N HIS 194.A O no hydrogen 2.877 N/A MET 148.A N.A GLN 157.A O no hydrogen 2.974 N/A MET 148.A N.B GLN 157.A O no hydrogen 3.070 N/A ASP 150.A N GLY 155.A O no hydrogen 2.844 N/A LYS 153.A N ASP 150.A O no hydrogen 3.090 N/A ASN 154.A N ASP 150.A OD1 no hydrogen 2.888 N/A GLY 155.A N ASP 150.A OD1 no hydrogen 3.393 N/A ILE 156.A N ASN 180.A O no hydrogen 3.026 N/A GLN 157.A N MET 148.A O.A no hydrogen 2.799 N/A GLN 157.A N MET 148.A O.B no hydrogen 2.898 N/A VAL 158.A N GLN 178.A O no hydrogen 2.846 N/A ASN 159.A N TYR 146.A O no hydrogen 2.987 N/A PHE 160.A N HIS 176.A O no hydrogen 3.239 N/A LYS 161.A NZ ASP 175.A OD1 no hydrogen 3.124 N/A ILE 162.A N ALA 174.A O no hydrogen 2.909 N/A ARG 163.A N HIS 143.A NE2 no hydrogen 3.048 N/A HIS 164.A N GLN 172.A O no hydrogen 2.860 N/A ASN 165.A ND2 ASN 139.A OD1 no hydrogen 2.987 N/A ASN 165.A ND2 ASN 141.A OD1 no hydrogen 3.555 N/A ILE 166.A N SER 170.A O no hydrogen 2.856 N/A GLU 167.A N LYS 135.A O no hydrogen 2.858 N/A GLY 169.A N ILE 166.A O no hydrogen 2.876 N/A SER 170.A N ASP 168.A OD1 no hydrogen 2.943 N/A SER 170.A OG ASP 168.A OD1 no hydrogen 2.710 N/A GLN 172.A N HIS 164.A O no hydrogen 2.838 N/A GLN 172.A NE2 LYS 96.A O no hydrogen 3.055 N/A ALA 174.A N ILE 162.A O no hydrogen 2.845 N/A ASP 175.A N PHE 94.A O no hydrogen 2.831 N/A HIS 176.A N PHE 160.A O no hydrogen 2.800 N/A HIS 176.A ND1 ALA 174.A O no hydrogen 2.875 N/A HIS 176.A NE2 THR 60.A OG1 no hydrogen 2.699 N/A TYR 177.A N THR 92.A O no hydrogen 2.983 N/A TYR 177.A OH ASP 175.A OD2 no hydrogen 2.629 N/A GLN 178.A N VAL 158.A O no hydrogen 2.901 N/A GLN 178.A NE2 GLN 64.A OE1 no hydrogen 2.911 N/A GLN 178.A NE2 ASN 180.A OD1 no hydrogen 2.862 N/A GLN 179.A N GLU 90.A O no hydrogen 2.879 N/A ASN 180.A N ILE 156.A O no hydrogen 2.975 N/A ASN 180.A ND2 GLN 89.A OE1 no hydrogen 2.839 N/A THR 181.A N VAL 88.A O no hydrogen 2.941 N/A THR 181.A OG1 GLN 179.A OE1 no hydrogen 3.300 N/A ILE 183.A N GLY 86.A O no hydrogen 2.845 N/A LEU 189.A N SER 81.A OG.A no hydrogen 2.945 N/A LEU 189.A N SER 81.A OG.B no hydrogen 2.989 N/A ASP 192.A N HIS 76.A ND1 no hydrogen 2.987 N/A HIS 194.A N ILE 147.A O no hydrogen 3.102 N/A HIS 194.A ND1 ASP 192.A O no hydrogen 2.882 N/A HIS 194.A NE2 TYR 69.A OH no hydrogen 2.747 N/A TYR 195.A N ALA 222.A O no hydrogen 3.076 N/A LEU 196.A N VAL 145.A O no hydrogen 2.835 N/A SER 197.A N THR 220.A O no hydrogen 2.839 N/A THR 198.A N HIS 143.A O no hydrogen 2.909 N/A THR 198.A OG1 HIS 143.A O no hydrogen 3.247 N/A GLN 199.A N PHE 218.A O no hydrogen 2.872 N/A ALA 201.A N LEU 216.A O no hydrogen 2.827 N/A SER 203.A N VAL 214.A O no hydrogen 2.852 N/A SER 203.A OG.B LYS 204.A O no hydrogen 3.486 N/A LYS 204.A N SER 203.A OG.B no hydrogen 2.750 N/A LYS 204.A NZ HIS 212.A O no hydrogen 2.739 N/A ASP 205.A N HIS 212.A NE2 no hydrogen 2.840 N/A ASN 207.A N ASP 205.A OD1 no hydrogen 2.965 N/A GLU 208.A N ASP 205.A O no hydrogen 2.998 N/A ARG 210.A N GLU 208.A OE2 no hydrogen 2.969 N/A ARG 210.A NE GLU 208.A OE2 no hydrogen 2.657 N/A ARG 210.A NH2 GLU 208.A OE1 no hydrogen 2.855 N/A ARG 210.A NH2 GLU 208.A OE2 no hydrogen 3.408 N/A HIS 212.A ND1 ARG 210.A O no hydrogen 2.850 N/A MET 213.A N PHE 44.A O no hydrogen 2.897 N/A VAL 214.A N SER 203.A O no hydrogen 3.004 N/A LEU 215.A N LEU 42.A O no hydrogen 2.842 N/A LEU 216.A N ALA 201.A O no hydrogen 2.948 N/A GLU 217.A N LEU 40.A O no hydrogen 3.024 N/A PHE 218.A N GLN 199.A O no hydrogen 2.824 N/A VAL 219.A N GLY 38.A O no hydrogen 2.812 N/A THR 220.A N SER 197.A O no hydrogen 3.029 N/A ALA 221.A N ARG 68.A O.A no hydrogen 2.827 N/A ALA 221.A N ARG 68.A O.B no hydrogen 2.839 N/A ALA 222.A N TYR 195.A O no hydrogen 2.858 N/A