Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kex_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N GLU 3.A OE2 no hydrogen 2.965 N/A LEU 4.A N GLY 1.A O no hydrogen 3.356 N/A PHE 5.A N GLU 2.A O no hydrogen 2.953 N/A THR 6.A OG1 GLU 3.A O no hydrogen 3.401 N/A VAL 9.A N GLY 32.A O no hydrogen 2.916 N/A ILE 11.A N GLY 30.A O no hydrogen 2.847 N/A LEU 12.A N LEU 113.A O no hydrogen 2.984 N/A VAL 13.A N GLY 28.A O no hydrogen 2.885 N/A GLU 14.A N ASN 115.A O no hydrogen 2.962 N/A LEU 15.A N.A VAL 26.A O no hydrogen 2.841 N/A LEU 15.A N.B VAL 26.A O no hydrogen 2.858 N/A ASP 16.A N ILE 117.A O no hydrogen 2.993 N/A GLY 17.A N PHE 24.A O no hydrogen 2.820 N/A ASP 18.A N LEU 119.A O no hydrogen 3.049 N/A VAL 19.A N HIS 22.A O.A no hydrogen 2.771 N/A VAL 19.A N HIS 22.A O.B no hydrogen 3.117 N/A ASN 20.A N GLY 121.A O no hydrogen 2.924 N/A ASN 20.A ND2 PHE 124.A O no hydrogen 2.850 N/A ASN 20.A ND2 GLU 126.A OE2 no hydrogen 3.095 N/A HIS 22.A N.A VAL 19.A O no hydrogen 2.870 N/A HIS 22.A N.B VAL 19.A O no hydrogen 2.887 N/A HIS 22.A ND1.A VAL 19.A O no hydrogen 2.797 N/A PHE 24.A N GLY 17.A O no hydrogen 2.941 N/A SER 25.A N THR 47.A OG1 no hydrogen 3.080 N/A VAL 26.A N LEU 15.A O.A no hydrogen 2.966 N/A VAL 26.A N LEU 15.A O.B no hydrogen 2.890 N/A SER 27.A N.A ILE 44.A O no hydrogen 3.052 N/A SER 27.A N.C ILE 44.A O no hydrogen 2.994 N/A SER 27.A OG.A GLU 14.A OE1 no hydrogen 2.749 N/A GLY 28.A N VAL 13.A O no hydrogen 2.779 N/A GLU 29.A N LYS 42.A O no hydrogen 3.055 N/A GLY 30.A N ILE 11.A O no hydrogen 3.120 N/A GLU 31.A N THR 40.A O.A no hydrogen 2.911 N/A GLU 31.A N THR 40.A O.B no hydrogen 2.900 N/A GLY 32.A N VAL 9.A O no hydrogen 2.898 N/A ASP 33.A N LYS 38.A O no hydrogen 2.804 N/A THR 35.A OG1 THR 6.A O no hydrogen 3.239 N/A TYR 36.A N ASP 33.A O no hydrogen 2.954 N/A GLY 37.A N ALA 34.A O no hydrogen 3.063 N/A LYS 38.A N ASP 33.A O no hydrogen 3.162 N/A LEU 39.A N GLU 216.A O.A no hydrogen 2.921 N/A LEU 39.A N GLU 216.A O.B no hydrogen 3.007 N/A THR 40.A N.A GLU 31.A O no hydrogen 2.952 N/A THR 40.A N.B GLU 31.A O no hydrogen 2.958 N/A THR 40.A OG1.A GLU 31.A O no hydrogen 3.407 N/A LEU 41.A N LEU 214.A O no hydrogen 3.002 N/A LYS 42.A N GLU 29.A O no hydrogen 2.969 N/A LYS 42.A NZ ASP 204.A OD2 no hydrogen 2.895 N/A LYS 42.A NZ GLU 207.A OE1 no hydrogen 2.692 N/A PHE 43.A N MET 212.A O no hydrogen 2.784 N/A ILE 44.A N SER 27.A O.A no hydrogen 2.832 N/A ILE 44.A N SER 27.A O.C no hydrogen 2.769 N/A CYS 45.A N ASP 210.A O no hydrogen 2.873 N/A CYS 45.A SG SER 25.A O no hydrogen 3.604 N/A CYS 45.A SG THR 47.A OG1 no hydrogen 3.346 N/A CYS 45.A SG GLY 48.A O no hydrogen 3.216 N/A THR 46.A N SER 25.A O no hydrogen 3.019 N/A THR 46.A OG1 SER 25.A O no hydrogen 3.489 N/A LEU 50.A N ASP 210.A OD2 no hydrogen 2.815 N/A TRP 54.A NE1 ASP 210.A OD1 no hydrogen 2.879 N/A THR 56.A N PRO 53.A O no hydrogen 2.974 N/A THR 56.A OG1 PRO 53.A O no hydrogen 2.746 N/A THR 56.A OG1 TYR 100.A OH no hydrogen 2.830 N/A LEU 57.A N TRP 54.A O no hydrogen 2.931 N/A VAL 58.A N PRO 55.A O no hydrogen 3.330 N/A THR 59.A OG1 HIS 175.A NE2 no hydrogen 2.731 N/A LEU 61.A N LEU 57.A O no hydrogen 2.975 N/A PHE 65.A N VAL 62.A O no hydrogen 3.029 N/A SER 66.A N GLN 63.A O no hydrogen 3.145 N/A SER 66.A OG GLN 63.A O no hydrogen 2.788 N/A ARG 67.A N VAL 218.A O no hydrogen 2.831 N/A TYR 68.A OH HIS 193.A NE2 no hydrogen 2.694 N/A MET 72.A N PRO 69.A O no hydrogen 2.846 N/A LYS 73.A N ASP 70.A O no hydrogen 3.215 N/A LYS 73.A NZ ASP 70.A O no hydrogen 3.142 N/A LYS 73.A NZ ASP 70.A OD2 no hydrogen 3.224 N/A HIS 75.A N MET 72.A O no hydrogen 2.951 N/A ASP 76.A N LYS 73.A O no hydrogen 3.406 N/A LYS 79.A N ASP 76.A OD1 no hydrogen 3.251 N/A LYS 79.A NZ CYS 64.A O no hydrogen 2.953 N/A LYS 79.A NZ SER 66.A O no hydrogen 2.843 N/A LYS 79.A NZ ASP 76.A OD2 no hydrogen 2.910 N/A SER 80.A OG PHE 77.A O no hydrogen 2.779 N/A ALA 81.A N PHE 77.A O no hydrogen 3.223 N/A MET 82.A N LYS 79.A O no hydrogen 3.056 N/A GLU 84.A N.A GLU 84.A OE1.A no hydrogen 2.855 N/A GLY 85.A N ALA 81.A O no hydrogen 2.720 N/A TYR 86.A N VAL 106.A O no hydrogen 2.944 N/A VAL 87.A N THR 180.A O no hydrogen 2.858 N/A GLN 88.A N ALA 104.A O no hydrogen 2.885 N/A GLU 89.A N.A GLN 178.A O no hydrogen 2.858 N/A GLU 89.A N.B GLN 178.A O no hydrogen 2.869 N/A ARG 90.A N THR 102.A O no hydrogen 3.090 N/A ARG 90.A NE GLN 177.A OE1 no hydrogen 2.848 N/A ARG 90.A NH1 THR 59.A O no hydrogen 2.791 N/A ARG 90.A NH2 GLN 177.A OE1 no hydrogen 2.789 N/A THR 91.A N TYR 176.A O no hydrogen 3.003 N/A ILE 92.A N TYR 100.A O no hydrogen 2.749 N/A PHE 93.A N ASP 174.A O no hydrogen 2.904 N/A PHE 94.A N GLY 98.A O no hydrogen 3.023 N/A LYS 95.A N LEU 172.A O no hydrogen 3.012 N/A ASP 97.A N PHE 94.A O no hydrogen 2.900 N/A GLY 98.A N ASP 97.A OD1 no hydrogen 2.833 N/A ASN 99.A N ILE 122.A O no hydrogen 3.046 N/A TYR 100.A N ILE 92.A O no hydrogen 2.905 N/A TYR 100.A OH THR 56.A OG1 no hydrogen 2.830 N/A LYS 101.A N LYS 120.A O no hydrogen 2.758 N/A LYS 101.A NZ ASN 99.A OD1 no hydrogen 2.858 N/A THR 102.A N ARG 90.A O no hydrogen 2.985 N/A ARG 103.A N GLU 118.A O no hydrogen 3.000 N/A ARG 103.A NH2 GLU 105.A OE2 no hydrogen 3.019 N/A ALA 104.A N GLN 88.A O no hydrogen 2.921 N/A GLU 105.A N ARG 116.A O.A no hydrogen 2.957 N/A GLU 105.A N ARG 116.A O.B no hydrogen 2.985 N/A VAL 106.A N TYR 86.A O no hydrogen 2.859 N/A LYS 107.A N VAL 114.A O no hydrogen 3.107 N/A LYS 107.A NZ GLU 105.A OE1 no hydrogen 2.745 N/A PHE 108.A N PRO 83.A O no hydrogen 3.295 N/A GLU 109.A N THR 112.A O no hydrogen 2.830 N/A THR 112.A N GLU 109.A O no hydrogen 3.138 N/A LEU 113.A N PRO 10.A O no hydrogen 2.988 N/A VAL 114.A N LYS 107.A O no hydrogen 2.851 N/A ASN 115.A N LEU 12.A O no hydrogen 2.961 N/A ASN 115.A ND2 THR 60.A O no hydrogen 3.385 N/A ASN 115.A ND2 LEU 61.A O no hydrogen 2.876 N/A ARG 116.A N.A GLU 105.A O no hydrogen 3.000 N/A ARG 116.A N.B GLU 105.A O no hydrogen 3.004 N/A ARG 116.A NH1.A GLU 109.A OE2 no hydrogen 3.012 N/A ARG 116.A NH2.A GLU 109.A OE2 no hydrogen 3.332 N/A ILE 117.A N GLU 14.A O no hydrogen 2.773 N/A GLU 118.A N ARG 103.A O no hydrogen 2.928 N/A LEU 119.A N ASP 16.A O no hydrogen 2.873 N/A LYS 120.A N LYS 101.A O no hydrogen 2.991 N/A GLY 121.A N ASP 18.A O no hydrogen 2.821 N/A ILE 122.A N ASN 99.A O no hydrogen 3.104 N/A PHE 124.A N ASN 20.A OD1 no hydrogen 3.046 N/A LYS 125.A N ASP 97.A OD1 no hydrogen 2.793 N/A LYS 125.A NZ ASP 96.A O no hydrogen 2.725 N/A GLY 128.A N LYS 125.A O no hydrogen 2.967 N/A GLY 132.A N GLY 128.A O no hydrogen 2.906 N/A HIS 133.A N ILE 130.A O no hydrogen 2.953 N/A LYS 134.A N ASN 129.A O no hydrogen 2.979 N/A LYS 134.A NZ ASP 127.A O no hydrogen 2.651 N/A GLU 136.A N ASN 164.A O no hydrogen 3.001 N/A TYR 137.A OH SER 202.A O no hydrogen 2.669 N/A ASN 138.A ND2 GLU 136.A OE1 no hydrogen 2.828 N/A ASN 140.A ND2 ARG 162.A O no hydrogen 2.926 N/A ASN 140.A ND2 ASN 164.A OD1 no hydrogen 2.962 N/A HIS 142.A N.A THR 197.A O no hydrogen 3.010 N/A HIS 142.A N.B THR 197.A O no hydrogen 3.022 N/A VAL 144.A N LEU 195.A O no hydrogen 2.792 N/A TYR 145.A N.A ASN 158.A O no hydrogen 3.460 N/A ILE 146.A N HIS 193.A O no hydrogen 2.798 N/A MET 147.A N LYS 156.A O no hydrogen 2.936 N/A ASP 149.A N GLY 154.A O no hydrogen 2.929 N/A LYS 152.A N ASP 149.A O no hydrogen 3.218 N/A ASN 153.A N LYS 150.A O no hydrogen 3.009 N/A GLY 154.A N ASP 149.A O no hydrogen 3.100 N/A ILE 155.A N ASN 179.A O no hydrogen 3.052 N/A LYS 156.A N MET 147.A O no hydrogen 2.881 N/A LYS 156.A NZ ALA 148.A O no hydrogen 2.964 N/A VAL 157.A N GLN 177.A O no hydrogen 2.865 N/A ASN 158.A N TYR 145.A O.A no hydrogen 3.369 N/A PHE 159.A N HIS 175.A O no hydrogen 3.260 N/A ILE 161.A N ALA 173.A O no hydrogen 2.900 N/A ARG 162.A N HIS 142.A NE2.B no hydrogen 3.219 N/A HIS 163.A N GLN 171.A O no hydrogen 2.947 N/A ILE 165.A N SER 169.A O no hydrogen 3.195 N/A GLY 168.A N ILE 165.A O no hydrogen 3.070 N/A SER 169.A N ASP 167.A OD1 no hydrogen 2.932 N/A SER 169.A OG ASP 167.A OD1 no hydrogen 2.534 N/A SER 169.A OG ASP 167.A OD2 no hydrogen 3.416 N/A GLN 171.A N HIS 163.A O no hydrogen 2.787 N/A ALA 173.A N ILE 161.A O no hydrogen 2.768 N/A ASP 174.A N PHE 93.A O no hydrogen 2.885 N/A HIS 175.A N PHE 159.A O no hydrogen 2.812 N/A HIS 175.A ND1 ALA 173.A O no hydrogen 2.864 N/A HIS 175.A NE2 THR 59.A OG1 no hydrogen 2.731 N/A TYR 176.A N THR 91.A O no hydrogen 2.992 N/A GLN 177.A N VAL 157.A O no hydrogen 2.870 N/A GLN 177.A NE2 GLN 63.A OE1 no hydrogen 2.957 N/A GLN 177.A NE2 ASN 179.A OD1 no hydrogen 2.849 N/A GLN 178.A N GLU 89.A O.A no hydrogen 2.868 N/A GLN 178.A N GLU 89.A O.B no hydrogen 2.888 N/A ASN 179.A N ILE 155.A O no hydrogen 2.966 N/A ASN 179.A ND2 GLN 88.A OE1 no hydrogen 2.810 N/A THR 180.A N VAL 87.A O no hydrogen 2.992 N/A ILE 182.A N GLY 85.A O no hydrogen 2.878 N/A LEU 188.A N SER 80.A OG no hydrogen 2.891 N/A ASP 191.A N HIS 75.A ND1 no hydrogen 3.072 N/A HIS 193.A N ILE 146.A O no hydrogen 3.178 N/A HIS 193.A ND1 ASP 191.A O no hydrogen 2.877 N/A HIS 193.A NE2 TYR 68.A OH no hydrogen 2.694 N/A TYR 194.A N GLY 221.A O no hydrogen 3.129 N/A LEU 195.A N VAL 144.A O no hydrogen 2.870 N/A SER 196.A N.A THR 219.A O no hydrogen 2.878 N/A SER 196.A N.B THR 219.A O no hydrogen 2.883 N/A SER 196.A OG.B ASN 143.A OD1 no hydrogen 3.003 N/A THR 197.A N HIS 142.A O.A no hydrogen 2.910 N/A THR 197.A N HIS 142.A O.B no hydrogen 2.922 N/A GLN 198.A N PHE 217.A O no hydrogen 3.047 N/A SER 199.A OG GLU 216.A OE2.B no hydrogen 2.536 N/A ALA 200.A N LEU 215.A O no hydrogen 2.770 N/A SER 202.A N VAL 213.A O no hydrogen 2.819 N/A LYS 203.A NZ HIS 211.A O no hydrogen 2.726 N/A ASP 204.A N HIS 211.A NE2 no hydrogen 2.816 N/A ASN 206.A N ASP 204.A OD1 no hydrogen 2.938 N/A GLU 207.A N ASP 204.A O no hydrogen 2.908 N/A ARG 209.A N GLU 207.A OE2 no hydrogen 2.974 N/A ARG 209.A NE GLU 207.A OE2 no hydrogen 2.841 N/A ARG 209.A NH2 GLU 207.A OE1 no hydrogen 3.088 N/A HIS 211.A ND1 ARG 209.A O no hydrogen 2.830 N/A MET 212.A N PHE 43.A O no hydrogen 2.889 N/A VAL 213.A N SER 202.A O no hydrogen 3.014 N/A LEU 214.A N LEU 41.A O no hydrogen 2.940 N/A LEU 215.A N ALA 200.A O no hydrogen 2.942 N/A GLU 216.A N.A LEU 39.A O no hydrogen 2.965 N/A GLU 216.A N.B LEU 39.A O no hydrogen 2.962 N/A PHE 217.A N GLN 198.A O no hydrogen 3.005 N/A VAL 218.A N GLY 37.A O no hydrogen 2.829 N/A THR 219.A N SER 196.A O.A no hydrogen 3.010 N/A THR 219.A N SER 196.A O.B no hydrogen 3.042 N/A ALA 220.A N ARG 67.A O no hydrogen 2.835 N/A GLY 221.A N TYR 194.A O no hydrogen 2.867 N/A