Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2whs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N TYR 34.A OH no hydrogen 2.925 N/A SER 2.A OG VAL 1.A O no hydrogen 2.330 N/A VAL 3.A N VAL 1.A O no hydrogen 3.036 N/A VAL 3.A N SER 2.A OG no hydrogen 2.500 N/A MET 8.A N GLY 31.A O no hydrogen 3.176 N/A THR 9.A N ASN 109.A O no hydrogen 2.975 N/A THR 9.A OG1 ASN 109.A O no hydrogen 3.424 N/A TYR 10.A N GLY 29.A O no hydrogen 2.841 N/A LYS 11.A N PHE 111.A O no hydrogen 2.826 N/A LYS 11.A NZ GLU 26.A OE2 no hydrogen 2.630 N/A LYS 11.A NZ ASP 28.A OD1 no hydrogen 2.672 N/A VAL 12.A N GLY 27.A O no hydrogen 2.931 N/A TYR 13.A N TYR 113.A O no hydrogen 2.814 N/A MET 14.A N VAL 25.A O no hydrogen 2.708 N/A SER 15.A N VAL 115.A O no hydrogen 2.969 N/A GLY 16.A N PHE 23.A O no hydrogen 3.008 N/A THR 17.A N ILE 117.A O no hydrogen 2.995 N/A VAL 18.A N HIS 21.A O no hydrogen 2.926 N/A ASN 19.A N GLY 119.A O no hydrogen 2.701 N/A ASN 19.A ND2 PHE 122.A O no hydrogen 2.845 N/A HIS 21.A N VAL 18.A O no hydrogen 2.864 N/A HIS 21.A NE2 GLY 47.A O no hydrogen 2.558 N/A TYR 22.A OH GLU 24.A OE2 no hydrogen 2.477 N/A PHE 23.A N GLY 16.A O no hydrogen 2.961 N/A GLU 24.A N LYS 46.A O no hydrogen 2.949 N/A VAL 25.A N MET 14.A O no hydrogen 2.741 N/A GLU 26.A N THR 43.A O no hydrogen 2.953 N/A GLY 27.A N VAL 12.A O no hydrogen 2.904 N/A ASP 28.A N LYS 41.A O no hydrogen 2.974 N/A GLY 29.A N TYR 10.A O no hydrogen 2.850 N/A LYS 30.A N THR 39.A O no hydrogen 2.849 N/A GLY 31.A N MET 8.A O no hydrogen 3.013 N/A LYS 32.A N GLU 37.A O no hydrogen 2.885 N/A TYR 34.A OH ILE 4.A O no hydrogen 2.648 N/A GLU 35.A N LYS 32.A O no hydrogen 2.806 N/A GLY 36.A N LYS 32.A O no hydrogen 3.037 N/A GLN 38.A N GLU 208.A O no hydrogen 3.112 N/A GLN 38.A NE2 TYR 10.A OH no hydrogen 2.534 N/A THR 39.A N LYS 30.A O no hydrogen 2.890 N/A THR 39.A OG1 GLN 206.A O no hydrogen 3.340 N/A VAL 40.A N GLN 206.A O no hydrogen 2.868 N/A LYS 41.A N ASP 28.A O no hydrogen 2.824 N/A LEU 42.A N VAL 204.A O no hydrogen 2.689 N/A THR 43.A N GLU 26.A O no hydrogen 2.849 N/A VAL 44.A N THR 202.A O no hydrogen 2.938 N/A THR 45.A N GLU 24.A O no hydrogen 2.859 N/A LYS 46.A N GLU 24.A O no hydrogen 3.372 N/A ALA 53.A N VAL 128.A O no hydrogen 2.775 N/A ILE 56.A N ALA 53.A O no hydrogen 3.356 N/A LEU 57.A N TRP 54.A O no hydrogen 2.739 N/A SER 58.A N ASP 55.A O no hydrogen 3.347 N/A SER 58.A OG ASP 55.A O no hydrogen 3.194 N/A GLN 60.A N LEU 57.A O no hydrogen 2.892 N/A GLN 60.A NE2 ILE 56.A O no hydrogen 3.060 N/A LEU 61.A N SER 58.A O no hydrogen 3.213 N/A SER 62.A OG TYR 113.A OH no hydrogen 2.745 N/A PHE 65.A N SER 62.A O no hydrogen 3.267 N/A THR 66.A OG1 ILE 63.A O no hydrogen 2.871 N/A LYS 67.A N ALA 210.A O no hydrogen 3.103 N/A TYR 68.A OH HIS 186.A NE2 no hydrogen 2.819 N/A ILE 72.A N PRO 69.A O no hydrogen 3.210 N/A TYR 75.A OH GLY 148.A O no hydrogen 2.623 N/A LYS 77.A N ASP 74.A OD1 no hydrogen 3.167 N/A LYS 77.A NZ PRO 33.A O no hydrogen 2.999 N/A LYS 77.A NZ PRO 64.A O no hydrogen 2.928 N/A LYS 77.A NZ ASP 74.A OD2 no hydrogen 2.924 N/A GLN 78.A N ASP 74.A O no hydrogen 2.957 N/A GLN 78.A NE2 ASP 74.A O no hydrogen 3.337 N/A GLN 78.A NE2 ARG 181.A O no hydrogen 2.755 N/A SER 79.A N PHE 76.A O no hydrogen 3.209 N/A SER 79.A OG PHE 76.A O no hydrogen 2.774 N/A PHE 80.A N LYS 77.A O no hydrogen 3.214 N/A GLU 82.A N GLU 82.A OE1 no hydrogen 2.720 N/A GLY 83.A N SER 79.A O no hydrogen 2.823 N/A TYR 84.A N SER 104.A O no hydrogen 3.301 N/A THR 85.A N LYS 175.A O no hydrogen 2.809 N/A TRP 86.A N ASN 102.A O no hydrogen 3.151 N/A GLU 87.A N THR 173.A O no hydrogen 3.090 N/A ARG 88.A N VAL 100.A O no hydrogen 2.689 N/A ARG 88.A NE SER 172.A OG no hydrogen 2.839 N/A ARG 88.A NH1 PRO 59.A O no hydrogen 2.895 N/A ARG 88.A NH1 GLN 60.A OE1 no hydrogen 3.103 N/A ARG 88.A NH2 TYR 174.A OH no hydrogen 3.196 N/A SER 89.A N LYS 171.A O no hydrogen 2.752 N/A MET 90.A N CYS 98.A O no hydrogen 2.770 N/A ASN 91.A N GLU 169.A O no hydrogen 2.881 N/A ASN 91.A ND2 GLU 169.A O no hydrogen 3.653 N/A PHE 92.A N ALA 96.A O no hydrogen 3.033 N/A GLU 93.A N LEU 167.A O no hydrogen 2.852 N/A GLY 95.A N PHE 92.A O no hydrogen 3.252 N/A VAL 97.A N GLU 120.A O no hydrogen 3.055 N/A CYS 98.A N MET 90.A O no hydrogen 2.860 N/A THR 99.A N SER 118.A O no hydrogen 2.842 N/A VAL 100.A N ARG 88.A O no hydrogen 2.810 N/A SER 101.A N LYS 116.A O no hydrogen 2.828 N/A ASN 102.A N TRP 86.A O no hydrogen 2.742 N/A ASN 102.A ND2 SER 104.A OG no hydrogen 2.949 N/A ASP 103.A N ASN 114.A O no hydrogen 3.051 N/A SER 104.A N TYR 84.A O no hydrogen 2.767 N/A SER 105.A N ILE 112.A O no hydrogen 2.774 N/A GLN 107.A N CYS 110.A O no hydrogen 2.764 N/A CYS 110.A N GLN 107.A O no hydrogen 3.005 N/A CYS 110.A SG THR 9.A OG1 no hydrogen 3.457 N/A CYS 110.A SG PHE 111.A O no hydrogen 3.602 N/A PHE 111.A N THR 9.A O no hydrogen 2.987 N/A ILE 112.A N SER 105.A O no hydrogen 2.726 N/A TYR 113.A N LYS 11.A O no hydrogen 2.903 N/A TYR 113.A OH SER 62.A OG no hydrogen 2.745 N/A ASN 114.A N ASP 103.A O no hydrogen 2.928 N/A VAL 115.A N TYR 13.A O no hydrogen 2.705 N/A LYS 116.A N SER 101.A O no hydrogen 2.846 N/A LYS 116.A NZ ASN 114.A OD1 no hydrogen 3.210 N/A ILE 117.A N SER 15.A O no hydrogen 3.125 N/A SER 118.A N THR 99.A O no hydrogen 2.797 N/A GLY 119.A N THR 17.A O no hydrogen 2.895 N/A GLU 120.A N VAL 97.A O no hydrogen 2.962 N/A PHE 122.A N ASN 19.A OD1 no hydrogen 3.071 N/A GLY 126.A N PRO 123.A O no hydrogen 2.872 N/A GLN 130.A N GLY 126.A O no hydrogen 3.096 N/A GLN 130.A NE2 PRO 124.A O no hydrogen 2.853 N/A LYS 131.A N VAL 128.A O no hydrogen 3.302 N/A LYS 131.A NZ LEU 50.A O no hydrogen 3.072 N/A LYS 132.A N PRO 127.A O no hydrogen 2.715 N/A THR 133.A OG1 ASP 55.A OD2 no hydrogen 2.835 N/A GLN 134.A N LYS 159.A O no hydrogen 2.724 N/A GLY 135.A N ASP 55.A OD2 no hydrogen 2.938 N/A TRP 136.A NE1 ASP 55.A O no hydrogen 2.752 N/A GLU 137.A N ALA 157.A O no hydrogen 2.826 N/A SER 139.A N ARG 190.A O no hydrogen 3.021 N/A SER 139.A OG ASP 154.A OD2 no hydrogen 2.970 N/A THR 140.A OG1 ASP 189.A OD2 no hydrogen 2.961 N/A GLU 141.A N ILE 188.A O no hydrogen 2.957 N/A ARG 142.A N ASN 153.A O no hydrogen 2.962 N/A LEU 143.A N HIS 186.A O no hydrogen 2.949 N/A PHE 144.A N ILE 151.A O no hydrogen 2.991 N/A ARG 146.A N MET 149.A O no hydrogen 2.889 N/A MET 149.A N ARG 146.A O no hydrogen 2.867 N/A LEU 150.A N TYR 174.A O no hydrogen 2.893 N/A ILE 151.A N PHE 144.A O no hydrogen 2.802 N/A GLY 152.A N SER 172.A O no hydrogen 2.778 N/A ASN 153.A N ARG 142.A O no hydrogen 2.936 N/A ASP 154.A N PHE 170.A O no hydrogen 3.151 N/A MET 156.A N CYS 168.A O no hydrogen 2.891 N/A LEU 158.A N TYR 166.A O no hydrogen 2.892 N/A LYS 159.A N GLY 135.A O no hydrogen 2.771 N/A LEU 160.A N GLY 164.A O no hydrogen 2.978 N/A GLU 161.A N LYS 132.A O no hydrogen 2.869 N/A HIS 165.A NE2 GLU 137.A OE2 no hydrogen 2.628 N/A TYR 166.A N LEU 158.A O no hydrogen 2.845 N/A TYR 166.A OH ASP 94.A OD1 no hydrogen 2.795 N/A TYR 166.A OH ASP 94.A OD2 no hydrogen 3.241 N/A LEU 167.A N GLU 93.A OE2 no hydrogen 2.849 N/A CYS 168.A N MET 156.A O no hydrogen 3.045 N/A CYS 168.A SG GLU 169.A O no hydrogen 3.945 N/A GLU 169.A N ASN 91.A O no hydrogen 2.814 N/A PHE 170.A N ASP 154.A O no hydrogen 2.785 N/A LYS 171.A N SER 89.A O no hydrogen 2.884 N/A SER 172.A N GLY 152.A O no hydrogen 2.937 N/A SER 172.A OG TYR 174.A OH no hydrogen 3.394 N/A THR 173.A N GLU 87.A O no hydrogen 2.902 N/A TYR 174.A N LEU 150.A O no hydrogen 2.732 N/A TYR 174.A OH GLU 141.A OE2 no hydrogen 2.580 N/A LYS 175.A N THR 85.A O no hydrogen 2.814 N/A ALA 176.A N TYR 75.A OH no hydrogen 2.958 N/A LYS 177.A N GLY 83.A O no hydrogen 2.969 N/A LYS 177.A NZ ASP 103.A OD1 no hydrogen 2.547 N/A LYS 177.A NZ SER 104.A O no hydrogen 3.214 N/A LYS 178.A NZ SER 79.A O no hydrogen 3.432 N/A LYS 178.A NZ PHE 80.A O no hydrogen 3.256 N/A LYS 178.A NZ GLU 82.A OE1 no hydrogen 2.542 N/A ARG 181.A N GLN 78.A OE1 no hydrogen 2.858 N/A HIS 186.A N LEU 143.A O no hydrogen 3.069 N/A HIS 186.A ND1 GLY 184.A O no hydrogen 2.767 N/A HIS 186.A NE2 TYR 68.A OH no hydrogen 2.819 N/A GLU 187.A N ARG 213.A O no hydrogen 3.017 N/A ILE 188.A N GLU 141.A O no hydrogen 2.872 N/A ASP 189.A N ILE 211.A O no hydrogen 2.847 N/A ARG 190.A N SER 139.A O no hydrogen 2.932 N/A ARG 190.A NH1 GLU 141.A OE1 no hydrogen 3.257 N/A ARG 190.A NH2 GLU 141.A OE1 no hydrogen 3.039 N/A LYS 191.A N ILE 209.A O no hydrogen 3.060 N/A LYS 191.A NZ ASP 193.A OD2 no hydrogen 3.416 N/A ASP 193.A N CYS 207.A O no hydrogen 2.940 N/A THR 195.A N GLU 205.A O no hydrogen 2.785 N/A THR 195.A OG1 GLU 205.A O no hydrogen 3.419 N/A ASN 198.A N SER 203.A O no hydrogen 2.991 N/A ASN 198.A ND2 THR 202.A OG1 no hydrogen 2.779 N/A TYR 201.A N ASN 198.A O no hydrogen 3.060 N/A THR 202.A N ASN 198.A OD1 no hydrogen 2.860 N/A THR 202.A OG1 ASP 200.A OD1 no hydrogen 2.641 N/A SER 203.A N ASN 198.A OD1 no hydrogen 3.162 N/A VAL 204.A N LEU 42.A O no hydrogen 3.071 N/A GLU 205.A N SER 196.A O no hydrogen 2.763 N/A GLN 206.A N VAL 40.A O no hydrogen 2.944 N/A CYS 207.A N ASP 193.A O no hydrogen 2.883 N/A GLU 208.A N GLN 38.A O no hydrogen 2.958 N/A ILE 209.A N LYS 191.A O no hydrogen 3.000 N/A ALA 210.A N GLY 36.A O no hydrogen 2.982 N/A ILE 211.A N ASP 189.A O no hydrogen 2.797 N/A ALA 212.A N LYS 67.A O no hydrogen 2.912 N/A ARG 213.A N GLU 187.A O no hydrogen 2.847 N/A ARG 213.A NE GLU 187.A OE2 no hydrogen 2.783 N/A ARG 213.A NH2 GLU 187.A OE2 no hydrogen 3.158 N/A HIS 214.A NE2 ASP 71.A OD2 no hydrogen 2.858 N/A SER 215.A OG GLU 187.A OE1 no hydrogen 2.891 N/A