Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3khe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 5.A N HIS 1.A O no hydrogen 2.956 N/A ALA 6.A N ALA 2.A O no hydrogen 3.012 N/A LEU 7.A N LEU 3.A O no hydrogen 2.925 N/A GLY 8.A N THR 4.A O no hydrogen 2.805 N/A ASN 9.A N GLY 5.A O no hydrogen 2.879 N/A MET 10.A N ALA 6.A O no hydrogen 2.980 N/A LYS 11.A N LEU 7.A O no hydrogen 2.913 N/A LYS 12.A N GLY 8.A O no hydrogen 3.057 N/A PHE 13.A N MET 10.A O no hydrogen 3.363 N/A GLN 14.A NE2 LYS 12.A O no hydrogen 3.378 N/A SER 16.A OG.B GLN 17.A O no hydrogen 2.846 N/A GLN 17.A NE2 GLU 158.A OE1 no hydrogen 2.679 N/A ALA 20.A N GLN 17.A OE1 no hydrogen 2.925 N/A GLN 21.A N GLN 17.A O no hydrogen 2.925 N/A ALA 22.A N LYS 18.A O no hydrogen 2.795 N/A ALA 23.A N LEU 19.A O no hydrogen 2.844 N/A MET 24.A N ALA 20.A O no hydrogen 3.001 N/A LEU 25.A N GLN 21.A O no hydrogen 3.150 N/A PHE 26.A N ALA 22.A O no hydrogen 3.044 N/A MET 27.A N ALA 23.A O no hydrogen 3.003 N/A GLY 28.A N MET 24.A O no hydrogen 2.830 N/A SER 29.A N.A LEU 25.A O no hydrogen 2.847 N/A SER 29.A N.B LEU 25.A O no hydrogen 2.867 N/A SER 29.A OG.A LEU 25.A O no hydrogen 2.731 N/A SER 29.A OG.A SER 100.A OG.B no hydrogen 3.324 N/A SER 29.A OG.B LEU 25.A O no hydrogen 2.746 N/A LYS 30.A N PHE 26.A O no hydrogen 2.974 N/A LEU 31.A N MET 27.A O no hydrogen 3.156 N/A THR 32.A OG1 GLY 28.A O no hydrogen 2.828 N/A THR 33.A N GLU 36.A OE1 no hydrogen 3.034 N/A GLU 36.A N THR 33.A OG1 no hydrogen 2.961 N/A THR 37.A N THR 33.A O no hydrogen 3.208 N/A THR 37.A N LEU 34.A O no hydrogen 3.152 N/A THR 37.A OG1 THR 33.A O no hydrogen 3.183 N/A THR 37.A OG1 LEU 34.A O no hydrogen 3.059 N/A THR 37.A OG1 TYR 99.A OH no hydrogen 3.339 N/A LYS 38.A N GLU 35.A O no hydrogen 3.263 N/A LYS 38.A NZ GLU 35.A OE2 no hydrogen 2.579 N/A THR 41.A N THR 37.A O no hydrogen 2.929 N/A THR 41.A OG1 THR 37.A O no hydrogen 3.160 N/A THR 41.A OG1 TYR 99.A OH no hydrogen 2.622 N/A GLN 42.A N LYS 38.A O no hydrogen 3.209 N/A ILE 43.A N GLU 39.A O no hydrogen 3.129 N/A PHE 44.A N LEU 40.A O no hydrogen 2.849 N/A ARG 45.A N THR 41.A O no hydrogen 2.935 N/A GLN 46.A N GLN 42.A O no hydrogen 3.221 N/A GLN 46.A N ILE 43.A O no hydrogen 3.025 N/A LEU 47.A N ILE 43.A O no hydrogen 3.128 N/A ASP 48.A N PHE 44.A O no hydrogen 2.839 N/A ASN 50.A N GLU 59.A OE2 no hydrogen 3.248 N/A ASN 50.A ND2 ASP 52.A OD2 no hydrogen 3.001 N/A GLY 51.A N ASP 48.A O no hydrogen 2.973 N/A ASP 52.A N ASP 48.A OD1 no hydrogen 3.415 N/A GLY 53.A N ASP 48.A OD2 no hydrogen 2.943 N/A GLN 54.A NE2 GLU 98.A OE2 no hydrogen 2.746 N/A LEU 55.A N ILE 97.A O no hydrogen 2.800 N/A ASP 56.A N GLU 59.A OE1 no hydrogen 3.175 N/A GLU 59.A N ASP 56.A OD1 no hydrogen 3.158 N/A LEU 60.A N ASP 56.A O no hydrogen 3.050 N/A ILE 61.A N ARG 57.A O no hydrogen 2.929 N/A GLU 62.A N LYS 58.A O no hydrogen 2.728 N/A GLY 63.A N GLU 59.A O no hydrogen 3.013 N/A TYR 64.A N LEU 60.A O no hydrogen 3.336 N/A TYR 64.A OH LEU 7.A O no hydrogen 3.125 N/A ARG 65.A N ILE 61.A O no hydrogen 3.052 N/A LYS 66.A N GLU 62.A O no hydrogen 2.612 N/A LEU 67.A N GLY 63.A O no hydrogen 2.991 N/A MET 68.A N TYR 64.A O no hydrogen 3.130 N/A GLN 69.A N ARG 65.A O no hydrogen 3.236 N/A SER 71.A OG ASP 72.A OD2.A no hydrogen 3.521 N/A LEU 73.A N SER 71.A OG no hydrogen 2.703 N/A ASP 74.A N SER 71.A OG no hydrogen 2.893 N/A SER 75.A N SER 71.A O no hydrogen 3.009 N/A SER 75.A OG SER 71.A O no hydrogen 3.474 N/A SER 76.A N ASP 72.A O.A no hydrogen 3.229 N/A SER 76.A N ASP 72.A O.B no hydrogen 3.203 N/A SER 76.A OG LEU 73.A O no hydrogen 2.977 N/A GLN 77.A N LEU 73.A O no hydrogen 2.897 N/A GLN 77.A NE2 GLU 81.A OE2 no hydrogen 2.224 N/A ILE 78.A N ASP 74.A O no hydrogen 2.670 N/A GLU 79.A N SER 75.A O no hydrogen 2.833 N/A ALA 80.A N SER 76.A O no hydrogen 3.067 N/A GLU 81.A N GLN 77.A O no hydrogen 2.969 N/A VAL 82.A N ILE 78.A O no hydrogen 3.135 N/A ASP 83.A N GLU 79.A O no hydrogen 3.131 N/A HIS 84.A N.A ALA 80.A O no hydrogen 3.188 N/A HIS 84.A N.B ALA 80.A O no hydrogen 3.221 N/A HIS 84.A NE2.A MET 10.A O no hydrogen 3.101 N/A ILE 85.A N GLU 81.A O no hydrogen 2.996 N/A LEU 86.A N VAL 82.A O no hydrogen 2.742 N/A GLN 87.A N.A ASP 83.A O no hydrogen 3.206 N/A GLN 87.A N.B ASP 83.A O no hydrogen 3.247 N/A GLN 87.A N.B HIS 84.A O.A no hydrogen 3.160 N/A GLN 87.A N.B HIS 84.A O.B no hydrogen 3.121 N/A GLN 87.A NE2.B HIS 84.A O.A no hydrogen 3.529 N/A GLN 87.A NE2.B HIS 84.A O.B no hydrogen 3.563 N/A SER 88.A N HIS 84.A O.A no hydrogen 2.958 N/A SER 88.A N HIS 84.A O.B no hydrogen 2.903 N/A SER 88.A OG.A PHE 13.A O no hydrogen 3.564 N/A SER 88.A OG.A HIS 84.A O.A no hydrogen 3.300 N/A SER 88.A OG.A HIS 84.A O.B no hydrogen 3.255 N/A SER 88.A OG.B PHE 13.A O no hydrogen 3.049 N/A VAL 89.A N ILE 85.A O no hydrogen 2.797 N/A ASP 92.A N GLU 101.A OE2 no hydrogen 3.277 N/A ARG 93.A N ASP 90.A O no hydrogen 3.332 N/A ARG 93.A NE.A PHE 91.A O no hydrogen 3.524 N/A ASN 94.A N ASP 90.A OD1 no hydrogen 3.436 N/A ASN 94.A ND2 GLU 98.A OE2 no hydrogen 2.794 N/A GLY 95.A N ASP 90.A OD2 no hydrogen 2.603 N/A TYR 96.A N ASN 94.A OD1 no hydrogen 3.118 N/A ILE 97.A N LEU 55.A O no hydrogen 3.034 N/A GLU 98.A N GLU 101.A OE1 no hydrogen 2.780 N/A TYR 99.A N GLY 53.A O no hydrogen 2.980 N/A TYR 99.A OH THR 41.A OG1 no hydrogen 2.622 N/A SER 100.A OG.B SER 29.A OG.A no hydrogen 3.324 N/A PHE 102.A N GLU 98.A O no hydrogen 2.875 N/A VAL 103.A N TYR 99.A O no hydrogen 2.792 N/A THR 104.A N SER 100.A O no hydrogen 3.033 N/A THR 104.A OG1 SER 100.A O no hydrogen 2.896 N/A VAL 105.A N GLU 101.A O no hydrogen 3.207 N/A CYS 106.A N PHE 102.A O no hydrogen 2.916 N/A CYS 106.A SG ALA 6.A O no hydrogen 3.574 N/A MET 107.A N VAL 103.A O no hydrogen 2.943 N/A LYS 109.A NZ THR 104.A O no hydrogen 2.770 N/A LYS 109.A NZ VAL 105.A O no hydrogen 2.877 N/A LYS 109.A NZ MET 107.A O no hydrogen 2.752 N/A GLN 110.A N ASP 108.A OD1 no hydrogen 2.954 N/A LEU 111.A N.A ASP 108.A O no hydrogen 3.092 N/A LEU 111.A N.B ASP 108.A O no hydrogen 3.121 N/A LEU 112.A N ASP 108.A O no hydrogen 2.945 N/A LEU 113.A N LYS 109.A O no hydrogen 2.947 N/A SER 114.A N LEU 112.A O no hydrogen 2.867 N/A ARG 115.A NE VAL 184.A O no hydrogen 3.152 N/A ARG 115.A NH2 VAL 184.A O no hydrogen 3.458 N/A ARG 115.A NH2 VAL 184.A OXT no hydrogen 2.881 N/A GLU 116.A N GLU 116.A OE1 no hydrogen 2.860 N/A ARG 117.A N SER 114.A OG no hydrogen 3.156 N/A ARG 117.A NE LEU 112.A O no hydrogen 2.718 N/A ARG 117.A NH1 LEU 31.A O no hydrogen 3.182 N/A ARG 117.A NH1 GLU 36.A OE1 no hydrogen 2.799 N/A ARG 117.A NH1 GLU 36.A OE2 no hydrogen 3.348 N/A ARG 117.A NH2 GLU 36.A OE2 no hydrogen 2.830 N/A ARG 117.A NH2 LEU 111.A O.A no hydrogen 2.751 N/A ARG 117.A NH2 LEU 111.A O.B no hydrogen 2.738 N/A LEU 118.A N SER 114.A O no hydrogen 2.855 N/A LEU 119.A N ARG 115.A O no hydrogen 2.938 N/A ALA 120.A N GLU 116.A O no hydrogen 2.908 N/A ALA 121.A N ARG 117.A O no hydrogen 2.874 N/A PHE 122.A N LEU 118.A O no hydrogen 2.889 N/A GLN 123.A N LEU 119.A O no hydrogen 3.064 N/A GLN 123.A NE2 LEU 119.A O no hydrogen 3.405 N/A GLN 124.A N ALA 120.A O no hydrogen 3.010 N/A PHE 125.A N ALA 121.A O no hydrogen 2.978 N/A PHE 125.A N PHE 122.A O no hydrogen 3.175 N/A ASP 126.A N PHE 122.A O no hydrogen 2.811 N/A ASP 128.A N GLU 137.A OE2 no hydrogen 3.256 N/A GLY 129.A N ASP 126.A O no hydrogen 3.006 N/A SER 130.A N ASP 126.A OD1 no hydrogen 3.298 N/A SER 130.A N ASP 128.A OD1 no hydrogen 3.037 N/A SER 130.A OG ASP 126.A OD1 no hydrogen 3.293 N/A SER 130.A OG ASP 128.A OD1 no hydrogen 3.019 N/A GLY 131.A N ASP 126.A OD2 no hydrogen 2.836 N/A LYS 132.A N SER 130.A OG no hydrogen 3.295 N/A LYS 132.A NZ ASP 164.A OD2 no hydrogen 3.036 N/A ILE 133.A N VAL 167.A O no hydrogen 2.803 N/A THR 134.A N GLU 137.A OE1 no hydrogen 3.123 N/A THR 134.A OG1 GLU 137.A OE1 no hydrogen 3.487 N/A ASN 135.A ND2 VAL 147.A O no hydrogen 3.056 N/A GLU 137.A N THR 134.A O no hydrogen 3.103 N/A GLU 137.A N THR 134.A OG1 no hydrogen 3.230 N/A LEU 138.A N THR 134.A O no hydrogen 3.003 N/A GLY 139.A N ASN 135.A O no hydrogen 2.896 N/A ARG 140.A N GLU 136.A O no hydrogen 2.942 N/A LEU 141.A N LEU 138.A O no hydrogen 3.054 N/A PHE 142.A N GLY 139.A O no hydrogen 2.826 N/A GLY 143.A N ARG 140.A O no hydrogen 3.172 N/A VAL 144.A N GLY 139.A O no hydrogen 3.017 N/A THR 145.A OG1 GLU 146.A OE1 no hydrogen 3.470 N/A VAL 147.A N ASN 135.A OD1 no hydrogen 2.735 N/A THR 151.A N ASP 148.A OD1 no hydrogen 3.032 N/A THR 151.A OG1 ASP 148.A OD1 no hydrogen 2.742 N/A TRP 152.A N ASP 148.A O no hydrogen 3.091 N/A TRP 152.A NE1 GLY 165.A O no hydrogen 3.118 N/A HIS 153.A N ASP 149.A O no hydrogen 2.835 N/A GLN 154.A N GLU 150.A O.A no hydrogen 3.119 N/A GLN 154.A N GLU 150.A O.B no hydrogen 3.003 N/A VAL 155.A N THR 151.A O no hydrogen 3.399 N/A LEU 156.A N TRP 152.A O no hydrogen 2.943 N/A GLN 157.A N HIS 153.A O no hydrogen 2.946 N/A GLU 158.A N VAL 155.A O no hydrogen 3.254 N/A CYS 159.A N VAL 155.A O no hydrogen 3.274 N/A CYS 159.A N LEU 156.A O no hydrogen 3.247 N/A CYS 159.A SG VAL 155.A O no hydrogen 3.352 N/A ASP 160.A N LEU 156.A O no hydrogen 2.787 N/A LYS 161.A N CYS 159.A O no hydrogen 2.872 N/A ASN 162.A N GLU 171.A OE2 no hydrogen 3.385 N/A ASN 163.A N ASP 160.A O no hydrogen 2.987 N/A ASP 164.A N ASP 160.A OD1 no hydrogen 3.219 N/A GLY 165.A N ASP 160.A OD2 no hydrogen 2.797 N/A GLU 166.A N ASP 164.A OD1 no hydrogen 3.229 N/A VAL 167.A N ILE 133.A O no hydrogen 2.941 N/A ASP 168.A N GLU 171.A OE1 no hydrogen 2.839 N/A GLU 171.A N ASP 168.A OD1 no hydrogen 2.912 N/A PHE 172.A N ASP 168.A O no hydrogen 2.710 N/A VAL 173.A N PHE 169.A O no hydrogen 2.886 N/A GLU 174.A N GLU 170.A O no hydrogen 3.091 N/A MET 175.A N GLU 171.A O no hydrogen 2.916 N/A MET 176.A N PHE 172.A O no hydrogen 3.161 N/A GLN 177.A N VAL 173.A O no hydrogen 2.793 N/A GLN 177.A NE2 GLU 174.A OE1 no hydrogen 2.837 N/A LYS 178.A N GLU 174.A O no hydrogen 3.094 N/A LYS 178.A NZ GLU 158.A O no hydrogen 2.783 N/A ILE 179.A N MET 175.A O no hydrogen 3.075 N/A CYS 180.A N MET 176.A O no hydrogen 2.924 N/A VAL 182.A N GLN 177.A O no hydrogen 3.079 N/A VAL 184.A N GLN 177.A OE1 no hydrogen 2.902 N/A