Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1r03_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N SER 1.A OG no hydrogen 3.423 N/A ARG 4.A N SER 1.A O no hydrogen 3.196 N/A ARG 4.A NE PHE 7.A O no hydrogen 2.968 N/A ARG 4.A NH1 GLU 12.A OE2 no hydrogen 2.917 N/A ARG 4.A NH2 PHE 7.A O no hydrogen 2.860 N/A ARG 4.A NH2 GLU 12.A OE2 no hydrogen 2.722 N/A ASN 6.A ND2 GLY 120.A O no hydrogen 2.919 N/A ASP 10.A N HIS 8.A ND1 no hydrogen 2.884 N/A GLU 12.A N HIS 8.A O no hydrogen 2.968 N/A ALA 13.A N PRO 9.A O no hydrogen 2.952 N/A ALA 14.A N ASP 10.A O no hydrogen 2.874 N/A ILE 15.A N SER 11.A O no hydrogen 2.863 N/A ASN 16.A N GLU 12.A O no hydrogen 3.076 N/A ASN 16.A ND2 ARG 74.A O no hydrogen 3.067 N/A ARG 17.A N ALA 13.A O no hydrogen 3.005 N/A GLN 18.A N ALA 14.A O no hydrogen 2.853 N/A GLN 18.A NE2 GLU 22.A OE1 no hydrogen 2.897 N/A ILE 19.A N ILE 15.A O no hydrogen 2.819 N/A ASN 20.A N ASN 16.A O no hydrogen 3.150 N/A ASN 20.A ND2 ASP 79.A O no hydrogen 2.929 N/A LEU 21.A N ARG 17.A O no hydrogen 3.030 N/A GLU 22.A N GLN 18.A O no hydrogen 2.890 N/A LEU 23.A N ILE 19.A O no hydrogen 3.053 N/A TYR 24.A N ASN 20.A O no hydrogen 2.830 N/A ALA 25.A N LEU 21.A O no hydrogen 2.843 N/A SER 26.A N GLU 22.A O no hydrogen 2.970 N/A SER 26.A OG SER 54.A O no hydrogen 2.926 N/A SER 26.A OG SER 54.A OG no hydrogen 3.110 N/A SER 26.A OG THR 58.A OG1 no hydrogen 2.981 N/A TYR 27.A N LEU 23.A O no hydrogen 2.955 N/A VAL 28.A N TYR 24.A O no hydrogen 2.870 N/A TYR 29.A N ALA 25.A O no hydrogen 3.012 N/A TYR 29.A OH GLU 102.A OE2 no hydrogen 2.486 N/A LEU 30.A N SER 26.A O no hydrogen 2.889 N/A SER 31.A N TYR 27.A O no hydrogen 2.886 N/A MET 32.A N VAL 28.A O no hydrogen 2.926 N/A ALA 33.A N TYR 29.A O no hydrogen 2.847 N/A TYR 34.A N LEU 30.A O no hydrogen 3.112 N/A TYR 35.A N SER 31.A O no hydrogen 3.039 N/A TYR 35.A N MET 32.A O no hydrogen 2.995 N/A PHE 36.A N MET 32.A O no hydrogen 3.142 N/A SER 37.A OG TYR 34.A O no hydrogen 3.309 N/A ARG 38.A N TYR 35.A O no hydrogen 3.119 N/A ARG 38.A NE ASP 40.A OD2 no hydrogen 2.912 N/A ARG 38.A NH2 ASP 40.A OD1 no hydrogen 2.974 N/A ARG 38.A NH2 ASP 40.A OD2 no hydrogen 3.372 N/A VAL 41.A N ARG 38.A O no hydrogen 3.122 N/A ALA 42.A N ARG 38.A O no hydrogen 2.760 N/A LEU 43.A N PHE 36.A O no hydrogen 2.918 N/A ASN 45.A N ASP 166.A OD1 no hydrogen 2.730 N/A ASN 45.A ND2 ASP 166.A O no hydrogen 3.013 N/A ASN 45.A ND2 ASP 166.A OD2 no hydrogen 3.247 N/A PHE 46.A N ASP 166.A OD1 no hydrogen 2.958 N/A SER 47.A N LEU 43.A O no hydrogen 2.991 N/A SER 47.A OG ALA 33.A O no hydrogen 2.733 N/A ARG 48.A N ASN 44.A O no hydrogen 2.963 N/A ARG 48.A NE ASN 45.A OD1 no hydrogen 3.128 N/A ARG 48.A NH2 ASN 45.A OD1 no hydrogen 3.547 N/A TYR 49.A N ASN 45.A O no hydrogen 2.880 N/A TYR 49.A OH GLU 142.A OE1 no hydrogen 2.570 N/A PHE 50.A N PHE 46.A O no hydrogen 3.047 N/A LEU 51.A N SER 47.A O no hydrogen 2.929 N/A HIS 52.A N ARG 48.A O no hydrogen 2.946 N/A HIS 52.A NE2 GLU 56.A OE2 no hydrogen 3.051 N/A GLN 53.A N TYR 49.A O no hydrogen 2.997 N/A GLN 53.A NE2 TYR 49.A O no hydrogen 3.543 N/A SER 54.A N PHE 50.A O no hydrogen 2.797 N/A SER 54.A OG SER 26.A O no hydrogen 2.792 N/A SER 54.A OG SER 26.A OG no hydrogen 3.110 N/A ARG 55.A N LEU 51.A O no hydrogen 3.047 N/A GLU 56.A N HIS 52.A O no hydrogen 2.998 N/A GLU 57.A N GLN 53.A O no hydrogen 3.006 N/A THR 58.A N SER 54.A O no hydrogen 3.143 N/A THR 58.A OG1 SER 26.A OG no hydrogen 2.981 N/A THR 58.A OG1 SER 54.A O no hydrogen 3.377 N/A GLU 59.A N.A ARG 55.A O no hydrogen 3.225 N/A GLU 59.A N.B ARG 55.A O no hydrogen 3.201 N/A HIS 60.A N GLU 56.A O no hydrogen 2.950 N/A HIS 60.A ND1 GLU 22.A OE2 no hydrogen 3.182 N/A ALA 61.A N GLU 57.A O no hydrogen 2.861 N/A GLU 62.A N THR 58.A O no hydrogen 2.892 N/A LYS 63.A N.A GLU 59.A O.A no hydrogen 2.939 N/A LYS 63.A N.A GLU 59.A O.B no hydrogen 3.016 N/A LYS 63.A N.B GLU 59.A O.A no hydrogen 2.932 N/A LYS 63.A N.B GLU 59.A O.B no hydrogen 3.009 N/A LYS 63.A NZ.A GLU 59.A OE2.A no hydrogen 2.823 N/A LEU 64.A N HIS 60.A O no hydrogen 3.334 N/A MET 65.A N ALA 61.A O no hydrogen 2.979 N/A ARG 66.A N GLU 62.A O no hydrogen 2.789 N/A LEU 67.A N.A LYS 63.A O.A no hydrogen 2.850 N/A LEU 67.A N.A LYS 63.A O.B no hydrogen 2.882 N/A LEU 67.A N.B LYS 63.A O.A no hydrogen 2.873 N/A LEU 67.A N.B LYS 63.A O.B no hydrogen 2.904 N/A GLN 68.A N LEU 64.A O no hydrogen 2.903 N/A GLN 68.A NE2 GLU 12.A O no hydrogen 3.032 N/A GLN 68.A NE2 ASN 16.A OD1 no hydrogen 3.035 N/A ASN 69.A N MET 65.A O no hydrogen 3.078 N/A GLN 70.A N.A ARG 66.A O no hydrogen 2.784 N/A GLN 70.A N.B ARG 66.A O no hydrogen 2.772 N/A ARG 71.A N LEU 67.A O.A no hydrogen 2.899 N/A ARG 71.A N LEU 67.A O.B no hydrogen 2.875 N/A ARG 71.A NH1 ASP 121.A OD1 no hydrogen 2.891 N/A ARG 71.A NH1 ASP 121.A OD2 no hydrogen 3.227 N/A ARG 71.A NH1 HIS 123.A ND1 no hydrogen 2.971 N/A ARG 71.A NH2 GLN 5.A O no hydrogen 3.029 N/A ARG 71.A NH2 ASP 121.A OD1 no hydrogen 3.391 N/A ARG 71.A NH2 ASP 121.A OD2 no hydrogen 3.108 N/A GLY 72.A N ASN 69.A O no hydrogen 3.160 N/A GLY 73.A N GLN 68.A O no hydrogen 2.775 N/A ARG 74.A N GLU 12.A OE1 no hydrogen 2.780 N/A ARG 74.A NH1 GLY 73.A O no hydrogen 2.852 N/A ARG 76.A N ASN 16.A OD1 no hydrogen 3.063 N/A GLN 85.A NE2 ASP 87.A O no hydrogen 2.717 N/A GLN 85.A NE2 GLU 89.A OE2 no hydrogen 3.087 N/A TRP 88.A NE1 SER 31.A OG no hydrogen 2.925 N/A GLU 89.A N ASP 87.A OD2 no hydrogen 2.866 N/A SER 90.A N TRP 88.A O no hydrogen 2.746 N/A SER 90.A OG GLU 162.A OE2 no hydrogen 3.566 N/A GLY 91.A N GLU 162.A OE1 no hydrogen 2.865 N/A LEU 92.A N GLU 162.A OE2 no hydrogen 2.797 N/A HIS 93.A N SER 90.A OG no hydrogen 2.997 N/A HIS 93.A NE2 GLN 85.A OE1 no hydrogen 2.992 N/A ALA 94.A N SER 90.A O no hydrogen 2.926 N/A MET 95.A N GLY 91.A O no hydrogen 3.008 N/A GLU 96.A N LEU 92.A O no hydrogen 2.851 N/A CYS 97.A N HIS 93.A O no hydrogen 2.867 N/A CYS 97.A SG HIS 93.A NE2 no hydrogen 3.389 N/A CYS 97.A SG HIS 93.A O no hydrogen 3.353 N/A ALA 98.A N ALA 94.A O no hydrogen 2.867 N/A LEU 99.A N MET 95.A O no hydrogen 2.922 N/A LEU 100.A N GLU 96.A O no hydrogen 3.012 N/A LEU 101.A N CYS 97.A O no hydrogen 2.844 N/A GLU 102.A N ALA 98.A O no hydrogen 2.819 N/A LYS 103.A N.A LEU 99.A O no hydrogen 2.969 N/A LYS 103.A N.B LEU 99.A O no hydrogen 2.967 N/A ASN 104.A N LEU 100.A O no hydrogen 2.905 N/A VAL 105.A N LEU 101.A O no hydrogen 2.900 N/A ASN 106.A N GLU 102.A O no hydrogen 2.837 N/A GLN 107.A N LYS 103.A O.A no hydrogen 2.831 N/A GLN 107.A N LYS 103.A O.B no hydrogen 2.866 N/A GLN 107.A NE2 GLU 111.A OE2 no hydrogen 2.802 N/A SER 108.A N ASN 104.A O no hydrogen 3.029 N/A SER 108.A OG GLN 18.A OE1 no hydrogen 2.505 N/A LEU 109.A N VAL 105.A O no hydrogen 2.882 N/A LEU 110.A N ASN 106.A O no hydrogen 2.819 N/A GLU 111.A N GLN 107.A O no hydrogen 2.910 N/A LEU 112.A N SER 108.A O no hydrogen 2.879 N/A HIS 113.A N LEU 109.A O no hydrogen 2.897 N/A HIS 113.A NE2 GLU 129.A OE2.A no hydrogen 2.583 N/A HIS 113.A NE2 GLU 129.A OE2.B no hydrogen 2.796 N/A ALA 114.A N LEU 110.A O no hydrogen 2.916 N/A LEU 115.A N GLU 111.A O no hydrogen 2.938 N/A ALA 116.A N LEU 112.A O no hydrogen 2.854 N/A SER 117.A N HIS 113.A O no hydrogen 2.766 N/A SER 117.A OG HIS 113.A ND1 no hydrogen 3.335 N/A SER 117.A OG HIS 113.A O no hydrogen 2.908 N/A ASP 118.A N ALA 114.A O no hydrogen 2.829 N/A LYS 119.A N LEU 115.A O no hydrogen 2.874 N/A GLY 120.A N SER 117.A O no hydrogen 2.968 N/A ASP 121.A N ALA 116.A O no hydrogen 2.866 N/A LEU 124.A N ASP 121.A OD1 no hydrogen 2.966 N/A CYS 125.A N ASP 121.A O no hydrogen 3.043 N/A CYS 125.A SG HIS 113.A O no hydrogen 4.005 N/A CYS 125.A SG SER 117.A OG no hydrogen 3.478 N/A CYS 125.A SG ASP 121.A O no hydrogen 3.490 N/A ASP 126.A N PRO 122.A O no hydrogen 2.835 N/A PHE 127.A N HIS 123.A O no hydrogen 2.878 N/A LEU 128.A N LEU 124.A O no hydrogen 2.945 N/A GLU 129.A N.A CYS 125.A O no hydrogen 2.946 N/A GLU 129.A N.B CYS 125.A O no hydrogen 2.966 N/A THR 130.A N ASP 126.A O no hydrogen 2.796 N/A THR 130.A OG1 ASP 126.A O no hydrogen 2.643 N/A THR 130.A OG1 ASP 126.A OD2 no hydrogen 3.510 N/A TYR 131.A N PHE 127.A O no hydrogen 3.002 N/A TYR 132.A N LEU 128.A O no hydrogen 2.827 N/A TYR 132.A OH HIS 60.A O no hydrogen 2.625 N/A LEU 133.A N LEU 128.A O no hydrogen 2.902 N/A GLN 136.A N TYR 132.A O no hydrogen 2.882 N/A GLN 136.A NE2 GLU 102.A O no hydrogen 2.912 N/A GLN 136.A NE2 GLU 102.A OE1 no hydrogen 2.831 N/A VAL 137.A N LEU 133.A O no hydrogen 3.045 N/A LYS 138.A N ASN 134.A O no hydrogen 2.902 N/A LYS 138.A NZ GLU 135.A OE2.A no hydrogen 2.687 N/A SER 139.A N.A GLU 135.A O.A no hydrogen 2.915 N/A SER 139.A N.A GLU 135.A O.B no hydrogen 2.953 N/A SER 139.A N.B GLU 135.A O.A no hydrogen 2.923 N/A SER 139.A N.B GLU 135.A O.B no hydrogen 2.961 N/A SER 139.A OG.A GLU 135.A O.A no hydrogen 2.899 N/A SER 139.A OG.A GLU 135.A O.B no hydrogen 2.896 N/A SER 139.A OG.A GLU 135.A OE2.B no hydrogen 2.551 N/A ILE 140.A N GLN 136.A O no hydrogen 2.829 N/A LYS 141.A N VAL 137.A O no hydrogen 2.941 N/A LYS 141.A NZ ASP 145.A OD1 no hydrogen 2.823 N/A LYS 141.A NZ ASP 145.A OD2 no hydrogen 3.261 N/A GLU 142.A N LYS 138.A O no hydrogen 2.913 N/A LEU 143.A N SER 139.A O.A no hydrogen 2.926 N/A LEU 143.A N SER 139.A O.B no hydrogen 2.906 N/A GLY 144.A N ILE 140.A O no hydrogen 2.853 N/A ASP 145.A N LYS 141.A O no hydrogen 2.862 N/A HIS 146.A N GLU 142.A O no hydrogen 2.951 N/A VAL 147.A N LEU 143.A O no hydrogen 2.801 N/A HIS 148.A N GLY 144.A O no hydrogen 2.859 N/A ASN 149.A N ASP 145.A O no hydrogen 2.980 N/A ASN 149.A ND2 ASP 145.A O no hydrogen 3.065 N/A LEU 150.A N HIS 146.A O no hydrogen 2.902 N/A VAL 151.A N VAL 147.A O no hydrogen 2.846 N/A LYS 152.A N HIS 148.A O no hydrogen 2.872 N/A MET 153.A N ASN 149.A O no hydrogen 2.833 N/A GLY 154.A N VAL 151.A O no hydrogen 2.999 N/A ALA 155.A N LEU 150.A O no hydrogen 2.917 N/A ALA 158.A N GLY 154.A O no hydrogen 2.939 N/A ALA 161.A N ALA 158.A O no hydrogen 3.040 N/A LEU 164.A N LEU 160.A O no hydrogen 2.863 N/A PHE 165.A N ALA 161.A O no hydrogen 2.871 N/A ASP 166.A N GLU 162.A O no hydrogen 2.807 N/A THR 167.A N.A TYR 163.A O no hydrogen 3.063 N/A THR 167.A N.B TYR 163.A O no hydrogen 3.056 N/A THR 167.A OG1.B TYR 163.A O no hydrogen 3.259 N/A THR 167.A OG1.B LEU 164.A O no hydrogen 2.799 N/A THR 167.A OG1.B HIS 168.A ND1 no hydrogen 3.424 N/A HIS 168.A N LEU 164.A O no hydrogen 2.801 N/A LEU 170.A N PHE 165.A O no hydrogen 3.095 N/A