Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hek_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 9.A N VAL 163.A O no hydrogen 2.946 N/A PHE 11.A N PHE 161.A O no hydrogen 2.794 N/A PHE 13.A N GLY 159.A O no hydrogen 2.946 N/A GLN 14.A N GLY 99.A O no hydrogen 2.811 N/A GLN 14.A NE2 GLU 16.A OE1 no hydrogen 2.673 N/A GLU 16.A N GLN 14.A OE1 no hydrogen 2.681 N/A ILE 17.A N GLN 14.A OE1 no hydrogen 3.353 N/A ALA 18.A N GLN 14.A O no hydrogen 3.037 N/A GLN 19.A N ALA 15.A O no hydrogen 3.062 N/A LEU 20.A N GLU 16.A O no hydrogen 2.903 N/A MET 21.A N ILE 17.A O no hydrogen 2.971 N/A SER 22.A N ALA 18.A O no hydrogen 3.039 N/A LEU 23.A N GLN 19.A O no hydrogen 2.983 N/A ILE 24.A N LEU 20.A O no hydrogen 2.794 N/A ILE 25.A N MET 21.A O no hydrogen 2.789 N/A ASN 26.A N SER 22.A O no hydrogen 3.145 N/A ASN 26.A ND2 SER 22.A O no hydrogen 2.846 N/A THR 27.A N LEU 23.A O no hydrogen 3.113 N/A THR 27.A OG1 LEU 23.A O no hydrogen 2.803 N/A LYS 32.A NZ LEU 134.A O no hydrogen 3.173 N/A PHE 35.A N LYS 32.A O no hydrogen 2.961 N/A LEU 36.A N GLU 33.A O no hydrogen 3.190 N/A ARG 37.A NE GLU 38.A OE2 no hydrogen 2.951 N/A ARG 37.A NH2 GLU 38.A OE2 no hydrogen 2.675 N/A ARG 37.A NH2 SER 120.A O no hydrogen 2.602 N/A GLU 38.A N ILE 34.A O no hydrogen 3.142 N/A LEU 39.A N PHE 35.A O no hydrogen 3.141 N/A ILE 40.A N LEU 36.A O no hydrogen 2.997 N/A SER 41.A N ARG 37.A O no hydrogen 2.902 N/A ASN 42.A N GLU 38.A O no hydrogen 2.979 N/A SER 43.A N LEU 39.A O no hydrogen 3.005 N/A SER 43.A OG LEU 39.A O no hydrogen 3.125 N/A SER 43.A OG ASP 84.A OD2 no hydrogen 2.812 N/A SER 44.A N ILE 40.A O no hydrogen 2.859 N/A ASP 45.A N SER 41.A O no hydrogen 2.992 N/A ALA 46.A N ASN 42.A O no hydrogen 3.009 N/A LEU 47.A N SER 43.A O no hydrogen 2.886 N/A ASP 48.A N SER 44.A O no hydrogen 2.882 N/A LYS 49.A N ASP 45.A O no hydrogen 3.153 N/A ILE 50.A N ALA 46.A O no hydrogen 3.235 N/A ARG 51.A N LEU 47.A O no hydrogen 2.892 N/A TYR 52.A N ASP 48.A O no hydrogen 2.900 N/A GLU 53.A N LYS 49.A O no hydrogen 3.096 N/A SER 54.A N ILE 50.A O no hydrogen 3.014 N/A SER 54.A OG ILE 50.A O no hydrogen 3.512 N/A SER 54.A OG ARG 51.A O no hydrogen 2.619 N/A LEU 55.A N TYR 52.A O no hydrogen 3.341 N/A THR 56.A N GLU 53.A O no hydrogen 3.306 N/A THR 56.A OG1 GLU 53.A O no hydrogen 3.226 N/A ASP 57.A N GLU 53.A O no hydrogen 3.096 N/A SER 59.A N ASP 57.A OD1 no hydrogen 3.296 N/A SER 59.A OG ASP 57.A OD1 no hydrogen 2.584 N/A LYS 60.A N ASP 57.A O no hydrogen 3.080 N/A LYS 60.A NZ GLU 53.A OE1 no hydrogen 3.253 N/A LEU 61.A N PRO 58.A O no hydrogen 2.954 N/A ASP 62.A N SER 59.A O no hydrogen 2.990 N/A SER 63.A OG LYS 60.A O no hydrogen 3.384 N/A SER 63.A OG ASN 146.A OD1 no hydrogen 2.638 N/A GLY 64.A N LEU 61.A O no hydrogen 2.912 N/A HIS 68.A N THR 85.A OG1 no hydrogen 3.198 N/A ILE 69.A N PRO 208.A O no hydrogen 2.881 N/A ASN 70.A N VAL 83.A O no hydrogen 2.677 N/A LEU 71.A N THR 210.A O no hydrogen 2.778 N/A ILE 72.A N THR 81.A O no hydrogen 2.796 N/A ASN 74.A N THR 79.A O no hydrogen 2.792 N/A ASN 74.A ND2 GLU 216.A OE2 no hydrogen 3.290 N/A GLN 76.A NE2 GLU 216.A O no hydrogen 2.886 N/A ASP 77.A N ASN 74.A OD1 no hydrogen 2.945 N/A ARG 78.A N LYS 75.A O no hydrogen 3.225 N/A ARG 78.A NH1 LEU 181.A O no hydrogen 2.860 N/A THR 79.A N ASN 74.A O no hydrogen 3.128 N/A LEU 80.A N LEU 179.A O no hydrogen 2.980 N/A THR 81.A N ILE 72.A O no hydrogen 2.942 N/A ILE 82.A N VAL 177.A O no hydrogen 2.912 N/A VAL 83.A N ASN 70.A O no hydrogen 2.798 N/A ASP 84.A N THR 175.A O no hydrogen 2.963 N/A THR 85.A N HIS 68.A O no hydrogen 3.353 N/A THR 85.A OG1 GLU 66.A O no hydrogen 2.659 N/A GLY 86.A N ASP 84.A OD1 no hydrogen 2.829 N/A ILE 87.A N ALA 46.A O no hydrogen 3.194 N/A MET 89.A N THR 143.A OG1 no hydrogen 2.758 N/A THR 90.A N ASP 93.A OD2 no hydrogen 3.075 N/A LYS 91.A NZ GLU 9.A OE1 no hydrogen 2.476 N/A LYS 91.A NZ GLU 9.A OE2 no hydrogen 3.239 N/A ASP 93.A N THR 90.A OG1 no hydrogen 3.037 N/A LEU 94.A N THR 90.A O no hydrogen 3.055 N/A ILE 95.A N LYS 91.A O no hydrogen 3.074 N/A ASN 96.A N ALA 92.A O no hydrogen 2.808 N/A ASN 97.A N ASP 93.A O no hydrogen 2.541 N/A LEU 98.A N LEU 94.A O no hydrogen 2.853 N/A THR 100.A N ILE 95.A O no hydrogen 3.290 N/A THR 100.A OG1 ILE 95.A O no hydrogen 2.796 N/A LYS 103.A NZ PHE 125.A O no hydrogen 3.143 N/A THR 106.A N LYS 103.A O no hydrogen 2.904 N/A THR 106.A OG1 LYS 103.A O no hydrogen 3.174 N/A ALA 108.A N SER 104.A O no hydrogen 2.810 N/A PHE 109.A N GLY 105.A O no hydrogen 2.575 N/A GLU 111.A N LYS 107.A O no hydrogen 2.735 N/A ALA 112.A N ALA 108.A O no hydrogen 2.889 N/A ALA 112.A N PHE 109.A O no hydrogen 3.149 N/A LEU 113.A N PHE 109.A O no hydrogen 2.891 N/A GLY 116.A N LEU 113.A O no hydrogen 3.483 N/A ALA 117.A N ALA 112.A O no hydrogen 2.986 N/A SER 120.A N ASP 118.A OD2 no hydrogen 3.141 N/A SER 120.A OG ASP 118.A OD2 no hydrogen 2.687 N/A MET 121.A N ASP 118.A O no hydrogen 3.057 N/A ILE 122.A N ILE 119.A O no hydrogen 2.794 N/A GLN 124.A N MET 121.A O no hydrogen 2.843 N/A PHE 125.A N ILE 122.A O no hydrogen 3.381 N/A GLY 126.A N GLY 123.A O no hydrogen 3.013 N/A TYR 130.A N VAL 127.A O no hydrogen 3.368 N/A SER 131.A N GLY 128.A O no hydrogen 3.013 N/A SER 131.A OG GLY 128.A O no hydrogen 2.710 N/A ALA 132.A N PHE 129.A O no hydrogen 3.034 N/A TYR 133.A N TYR 130.A O no hydrogen 3.047 N/A TYR 133.A OH SER 155.A O no hydrogen 2.917 N/A LEU 134.A N SER 131.A O no hydrogen 2.898 N/A VAL 135.A N ALA 132.A O no hydrogen 3.094 N/A ALA 136.A N ALA 132.A O no hydrogen 2.951 N/A GLU 137.A N HIS 180.A O no hydrogen 2.897 N/A LYS 138.A N HIS 180.A O no hydrogen 3.470 N/A LYS 138.A NZ GLU 154.A OE1.A no hydrogen 3.274 N/A VAL 139.A N SER 155.A O no hydrogen 2.978 N/A THR 140.A N ILE 178.A O no hydrogen 2.899 N/A THR 140.A OG1 GLU 154.A OE2.A no hydrogen 2.510 N/A THR 140.A OG1 HIS 180.A NE2 no hydrogen 3.259 N/A VAL 141.A N TRP 153.A O no hydrogen 2.674 N/A ILE 142.A N LYS 176.A O no hydrogen 2.818 N/A THR 143.A N TYR 151.A O no hydrogen 2.930 N/A THR 143.A OG1 GLY 174.A O no hydrogen 3.261 N/A THR 143.A OG1 THR 175.A OG1 no hydrogen 2.826 N/A LYS 144.A N GLY 174.A O no hydrogen 2.768 N/A LYS 144.A NZ HIS 145.A O no hydrogen 3.085 N/A LYS 144.A NZ ASP 148.A O no hydrogen 2.840 N/A HIS 145.A ND1 ASN 146.A O no hydrogen 2.856 N/A ASN 146.A ND2 LYS 60.A O no hydrogen 2.879 N/A ASP 148.A N HIS 145.A O no hydrogen 3.054 N/A GLN 150.A NE2 ASP 166.A OD2 no hydrogen 2.707 N/A GLN 150.A NE2 GLU 169.A O no hydrogen 3.074 N/A TYR 151.A N THR 143.A O no hydrogen 2.991 N/A TYR 151.A OH GLU 149.A OE1.A no hydrogen 2.733 N/A ALA 152.A N ARG 164.A O no hydrogen 2.786 N/A TRP 153.A N VAL 141.A O no hydrogen 2.692 N/A TRP 153.A NE1 LEU 98.A O no hydrogen 2.892 N/A GLU 154.A N.A THR 162.A O no hydrogen 3.021 N/A GLU 154.A N.B THR 162.A O no hydrogen 3.018 N/A SER 155.A N VAL 139.A O no hydrogen 3.054 N/A SER 155.A OG SER 160.A O no hydrogen 2.885 N/A ALA 157.A N SER 155.A OG no hydrogen 2.881 N/A PHE 161.A N PHE 11.A O no hydrogen 2.895 N/A THR 162.A N GLU 154.A O.A no hydrogen 2.968 N/A THR 162.A N GLU 154.A O.B no hydrogen 2.967 N/A THR 162.A OG1 GLU 154.A OE2.B no hydrogen 2.592 N/A VAL 163.A N GLU 9.A O no hydrogen 2.858 N/A ARG 164.A N ALA 152.A O no hydrogen 3.060 N/A ARG 164.A NH2 THR 162.A OG1 no hydrogen 3.023 N/A ASP 166.A N GLN 150.A O no hydrogen 2.780 N/A THR 167.A OG1 GLU 4.A OE2 no hydrogen 3.494 N/A MET 171.A N GLN 150.A OE1 no hydrogen 2.624 N/A ARG 173.A NE THR 85.A O no hydrogen 3.163 N/A ARG 173.A NE GLY 86.A O no hydrogen 2.998 N/A ARG 173.A NH1 SER 63.A OG no hydrogen 2.748 N/A ARG 173.A NH1 GLY 64.A O no hydrogen 2.830 N/A ARG 173.A NH2 GLY 64.A O no hydrogen 2.947 N/A ARG 173.A NH2 THR 85.A O no hydrogen 2.899 N/A GLY 174.A N LYS 144.A O no hydrogen 2.833 N/A THR 175.A N ASP 84.A O no hydrogen 3.174 N/A THR 175.A N ASP 84.A OD1 no hydrogen 3.358 N/A THR 175.A OG1 THR 143.A OG1 no hydrogen 2.826 N/A LYS 176.A N ILE 142.A O no hydrogen 2.703 N/A VAL 177.A N ILE 82.A O no hydrogen 2.876 N/A ILE 178.A N THR 140.A O no hydrogen 2.685 N/A LEU 179.A N LEU 80.A O no hydrogen 2.849 N/A HIS 180.A N LYS 138.A O no hydrogen 2.930 N/A HIS 180.A NE2 THR 140.A OG1 no hydrogen 3.259 N/A LEU 181.A N ARG 78.A O no hydrogen 3.095 N/A LYS 182.A N VAL 135.A O no hydrogen 2.751 N/A LYS 182.A NZ ILE 25.A O no hydrogen 3.048 N/A LYS 182.A NZ TYR 133.A O no hydrogen 2.957 N/A LYS 182.A NZ LEU 134.A O no hydrogen 3.113 N/A GLN 185.A N LYS 182.A O no hydrogen 3.065 N/A GLN 185.A NE2 ASP 184.A OD1 no hydrogen 3.522 N/A TYR 188.A N GLN 185.A O no hydrogen 3.352 N/A LEU 189.A N THR 186.A O no hydrogen 2.961 N/A GLU 190.A N GLU 187.A O no hydrogen 3.047 N/A ARG 192.A NE GLU 190.A OE2 no hydrogen 2.768 N/A ARG 192.A NH2 GLU 190.A OE2 no hydrogen 3.099 N/A ARG 193.A NE GLU 187.A OE2 no hydrogen 2.674 N/A ARG 193.A NH1 GLU 33.A OE2 no hydrogen 3.370 N/A ARG 193.A NH2 GLU 33.A OE2 no hydrogen 2.780 N/A ARG 193.A NH2 GLU 187.A OE2 no hydrogen 3.314 N/A ILE 194.A N GLU 190.A O no hydrogen 2.943 N/A LYS 195.A N GLU 191.A O no hydrogen 2.855 N/A LYS 195.A NZ GLU 191.A OE2 no hydrogen 2.678 N/A GLU 196.A N ARG 192.A O no hydrogen 3.173 N/A ILE 197.A N ARG 193.A O no hydrogen 3.065 N/A VAL 198.A N ILE 194.A O no hydrogen 3.018 N/A LYS 199.A N LYS 195.A O no hydrogen 3.028 N/A LYS 200.A N GLU 196.A O no hydrogen 2.952 N/A HIS 201.A N ILE 197.A O no hydrogen 2.926 N/A HIS 201.A NE2 GLU 33.A OE1 no hydrogen 2.735 N/A SER 202.A N VAL 198.A O no hydrogen 2.957 N/A ILE 205.A N SER 202.A O no hydrogen 3.444 N/A TYR 207.A OH ASP 48.A OD1 no hydrogen 2.721 N/A THR 210.A N ILE 69.A O no hydrogen 2.885 N/A PHE 212.A N LEU 71.A O no hydrogen 2.921 N/A GLU 214.A N PRO 73.A O no hydrogen 3.106 N/A GLU 216.A N GLN 76.A OE1 no hydrogen 2.704 N/A HIS 220.A N LEU 217.A O no hydrogen 2.826 N/A