Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ekr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N ASN 5.A OD1 no hydrogen 3.071 N/A ASN 5.A N THR 2.A OG1 no hydrogen 2.913 N/A LEU 6.A N THR 2.A O no hydrogen 2.981 N/A TYR 7.A N THR 3.A O no hydrogen 3.140 N/A TYR 7.A N GLU 4.A O no hydrogen 3.000 N/A PHE 8.A N ASN 5.A O no hydrogen 3.112 N/A GLY 10.A N TYR 7.A O no hydrogen 2.921 N/A SER 11.A N PHE 8.A O no hydrogen 2.973 N/A SER 11.A OG PHE 8.A O no hydrogen 2.765 N/A MET 12.A N PHE 8.A O no hydrogen 3.306 N/A MET 12.A N GLN 9.A O no hydrogen 3.338 N/A GLU 16.A N ASN 13.A OD1 no hydrogen 2.829 N/A MET 17.A N ASN 13.A O no hydrogen 2.955 N/A LEU 18.A N ILE 14.A O no hydrogen 2.956 N/A ARG 19.A N PHE 15.A O no hydrogen 2.941 N/A ARG 19.A NH1 ARG 19.A O no hydrogen 2.937 N/A ILE 20.A N GLU 16.A O no hydrogen 3.153 N/A ASP 21.A N MET 17.A O no hydrogen 3.032 N/A GLU 22.A N LEU 18.A O no hydrogen 2.745 N/A GLY 23.A N ARG 19.A O no hydrogen 2.905 N/A ARG 25.A N GLY 39.A O no hydrogen 2.947 N/A ILE 28.A N GLY 67.A O no hydrogen 3.152 N/A TYR 29.A N THR 37.A O no hydrogen 2.887 N/A ASP 31.A N TYR 35.A O no hydrogen 2.898 N/A GLU 33.A N ASP 31.A OD1 no hydrogen 2.800 N/A GLY 34.A N ASP 31.A O no hydrogen 2.724 N/A TYR 35.A N ASP 31.A OD1 no hydrogen 2.901 N/A TYR 36.A OH PRO 48.A O no hydrogen 2.819 N/A THR 37.A N TYR 29.A O no hydrogen 2.791 N/A THR 37.A OG1 TYR 35.A O no hydrogen 2.855 N/A ILE 38.A N HIS 42.A O no hydrogen 2.938 N/A GLY 39.A N ARG 25.A O no hydrogen 2.698 N/A HIS 42.A N ILE 38.A O no hydrogen 2.969 N/A HIS 42.A ND1 ASP 81.A OD2 no hydrogen 2.592 N/A LEU 44.A N TYR 36.A O no hydrogen 2.849 N/A SER 47.A N THR 45.A OG1 no hydrogen 3.359 N/A ASP 49.A N SER 47.A OG no hydrogen 3.124 N/A ASN 51.A N ASP 49.A OD1 no hydrogen 3.187 N/A ALA 52.A N ASP 49.A O no hydrogen 2.965 N/A ALA 53.A N ASP 49.A O no hydrogen 3.302 N/A LYS 54.A N LEU 50.A O no hydrogen 2.963 N/A SER 55.A N ASN 51.A O no hydrogen 3.136 N/A GLU 56.A N ALA 52.A O no hydrogen 3.144 N/A LEU 57.A N ALA 53.A O no hydrogen 3.011 N/A ASP 58.A N LYS 54.A O no hydrogen 3.032 N/A LYS 59.A N SER 55.A O no hydrogen 3.062 N/A ALA 60.A N GLU 56.A O no hydrogen 2.813 N/A ILE 61.A N LEU 57.A O no hydrogen 2.818 N/A GLY 62.A N ASP 58.A O no hydrogen 2.765 N/A ARG 63.A NE GLU 73.A OE2 no hydrogen 2.623 N/A ARG 63.A NH2 VAL 68.A O no hydrogen 3.273 N/A ARG 63.A NH2 GLU 73.A OE1 no hydrogen 2.820 N/A ARG 63.A NH2 GLU 73.A OE2 no hydrogen 3.489 N/A CYS 65.A N ASP 58.A OD1 no hydrogen 2.967 N/A CYS 65.A SG ARG 63.A O no hydrogen 3.541 N/A VAL 68.A N CYS 65.A O no hydrogen 3.070 N/A ILE 69.A N LEU 26.A O no hydrogen 2.938 N/A THR 70.A N GLU 73.A OE1 no hydrogen 3.047 N/A GLU 73.A N THR 70.A OG1 no hydrogen 3.145 N/A ALA 74.A N THR 70.A O no hydrogen 2.965 N/A GLU 75.A N LYS 71.A O no hydrogen 2.980 N/A LYS 76.A N ASP 72.A O no hydrogen 2.990 N/A LEU 77.A N GLU 73.A O no hydrogen 2.949 N/A PHE 78.A N ALA 74.A O no hydrogen 2.817 N/A ASN 79.A N GLU 75.A O no hydrogen 2.927 N/A GLN 80.A N LYS 76.A O no hydrogen 3.056 N/A ASP 81.A N LEU 77.A O no hydrogen 2.906 N/A VAL 82.A N PHE 78.A O no hydrogen 2.828 N/A ASP 83.A N ASN 79.A O no hydrogen 3.069 N/A ALA 84.A N GLN 80.A O no hydrogen 2.938 N/A ALA 85.A N ASP 81.A O no hydrogen 2.996 N/A VAL 86.A N VAL 82.A O no hydrogen 2.990 N/A ARG 87.A N ASP 83.A O no hydrogen 2.908 N/A ARG 87.A NE ASP 83.A OD2.B no hydrogen 2.692 N/A GLY 88.A N ALA 84.A O no hydrogen 2.856 N/A ILE 89.A N ALA 85.A O no hydrogen 3.036 N/A LEU 90.A N VAL 86.A O no hydrogen 2.998 N/A ARG 91.A N ARG 87.A O no hydrogen 3.139 N/A ASN 92.A N ILE 89.A O no hydrogen 3.036 N/A LYS 94.A N ASN 92.A OD1 no hydrogen 2.880 N/A LEU 95.A N ASN 92.A OD1 no hydrogen 2.925 N/A LYS 96.A N ASN 92.A O no hydrogen 2.859 N/A LYS 96.A NZ ASP 100.A OD2 no hydrogen 2.760 N/A TYR 99.A N LEU 95.A O no hydrogen 2.884 N/A ASP 100.A N LYS 96.A O no hydrogen 2.825 N/A SER 101.A N PRO 97.A O no hydrogen 3.141 N/A SER 101.A OG VAL 98.A O no hydrogen 2.653 N/A LEU 102.A N TYR 99.A O no hydrogen 2.958 N/A ARG 106.A N ASP 103.A OD2 no hydrogen 2.973 N/A ARG 106.A NE PHE 164.A O no hydrogen 2.766 N/A ARG 106.A NH1 ASP 103.A OD1 no hydrogen 2.815 N/A ARG 106.A NH2 ARG 165.A O no hydrogen 3.094 N/A ARG 107.A N ASP 103.A O no hydrogen 2.828 N/A ARG 107.A NE TYR 99.A O no hydrogen 3.167 N/A ARG 107.A NE LEU 102.A O no hydrogen 3.032 N/A ARG 107.A NH2 ASP 100.A O no hydrogen 2.893 N/A CYS 108.A N ALA 104.A O no hydrogen 3.224 N/A CYS 108.A SG ALA 104.A O no hydrogen 3.613 N/A ALA 109.A N VAL 105.A O no hydrogen 3.108 N/A ALA 110.A N ARG 106.A O no hydrogen 2.885 N/A ILE 111.A N ARG 107.A O no hydrogen 2.927 N/A ASN 112.A N CYS 108.A O no hydrogen 2.923 N/A ASN 112.A ND2 ASP 21.A OD2 no hydrogen 2.834 N/A HIS 113.A N ALA 109.A O no hydrogen 2.867 N/A VAL 114.A N ALA 110.A O no hydrogen 3.017 N/A PHE 115.A N ILE 111.A O no hydrogen 2.798 N/A GLN 116.A N ASN 112.A O no hydrogen 2.898 N/A GLN 116.A NE2 ASN 112.A OD1 no hydrogen 2.793 N/A GLN 116.A NE2 ARG 156.A O no hydrogen 3.100 N/A MET 117.A N HIS 113.A O no hydrogen 2.865 N/A GLY 118.A N VAL 114.A O no hydrogen 2.756 N/A VAL 122.A N GLY 118.A O no hydrogen 3.245 N/A ALA 123.A N VAL 119.A O no hydrogen 2.926 N/A GLY 124.A N THR 120.A O no hydrogen 3.012 N/A PHE 125.A N VAL 122.A O no hydrogen 2.951 N/A THR 126.A N GLY 124.A O no hydrogen 2.913 N/A THR 126.A OG1 GLY 124.A O no hydrogen 3.468 N/A LEU 129.A N PHE 125.A O no hydrogen 3.002 N/A ARG 130.A N THR 126.A O no hydrogen 3.188 N/A ARG 130.A NH2 ASN 127.A OD1.A no hydrogen 2.631 N/A MET 131.A N ASN 127.A O no hydrogen 2.894 N/A LEU 132.A N VAL 128.A O no hydrogen 2.837 N/A GLN 133.A N LEU 129.A O no hydrogen 3.011 N/A GLN 134.A N ARG 130.A O no hydrogen 2.941 N/A LYS 135.A N LEU 132.A O no hydrogen 3.050 N/A LYS 135.A NZ GLN 133.A O no hydrogen 3.450 N/A ARG 136.A N MET 131.A O no hydrogen 2.848 N/A ARG 136.A NE GLU 139.A OE2 no hydrogen 2.945 N/A ARG 136.A NH1 GLN 134.A OE1 no hydrogen 2.901 N/A ARG 136.A NH2 GLU 139.A OE1 no hydrogen 2.849 N/A ALA 140.A N ARG 136.A O no hydrogen 2.919 N/A ALA 141.A N TRP 137.A O no hydrogen 2.966 N/A VAL 142.A N ASP 138.A O no hydrogen 2.995 N/A ASN 143.A N GLU 139.A O no hydrogen 2.948 N/A ASN 143.A ND2 GLU 139.A O no hydrogen 2.921 N/A LEU 144.A N ALA 140.A O no hydrogen 2.877 N/A ALA 145.A N ALA 141.A O no hydrogen 3.015 N/A LYS 146.A N ASN 143.A O no hydrogen 3.033 N/A LYS 146.A NZ ASN 143.A OD1 no hydrogen 3.498 N/A SER 147.A N LEU 144.A O no hydrogen 3.055 N/A SER 147.A OG LEU 144.A O no hydrogen 2.781 N/A TRP 149.A NE1 GLN 116.A OE1 no hydrogen 2.873 N/A TYR 150.A N SER 147.A OG no hydrogen 3.211 N/A ASN 151.A N SER 147.A O no hydrogen 2.959 N/A ASN 151.A ND2 ALA 145.A O no hydrogen 2.845 N/A ASN 151.A ND2 SER 147.A O no hydrogen 2.853 N/A GLN 152.A N ARG 148.A O no hydrogen 2.839 N/A CYS 153.A N TYR 150.A O no hydrogen 3.082 N/A ARG 156.A N CYS 153.A O no hydrogen 3.329 N/A ARG 156.A NH1 ASP 31.A OD2 no hydrogen 3.365 N/A ALA 157.A N PRO 154.A O no hydrogen 3.166 N/A LYS 158.A N PRO 154.A O no hydrogen 2.807 N/A LYS 158.A NZ ASP 155.A OD1 no hydrogen 2.924 N/A ARG 159.A NH1.A ASP 21.A OD1 no hydrogen 3.221 N/A ARG 159.A NH1.B ALA 171.A O no hydrogen 3.374 N/A ILE 161.A N ALA 157.A O no hydrogen 3.172 N/A THR 162.A N LYS 158.A O no hydrogen 3.064 N/A THR 162.A OG1 LYS 158.A O no hydrogen 3.136 N/A THR 163.A N ARG 159.A O no hydrogen 2.957 N/A THR 163.A OG1 ARG 159.A O no hydrogen 2.788 N/A PHE 164.A N VAL 160.A O no hydrogen 2.851 N/A ARG 165.A N ILE 161.A O no hydrogen 2.966 N/A THR 166.A N THR 162.A O no hydrogen 2.942 N/A THR 166.A OG1 THR 162.A O no hydrogen 3.163 N/A THR 166.A OG1 THR 168.A OG1 no hydrogen 3.201 N/A GLY 167.A N THR 163.A O no hydrogen 2.809 N/A THR 168.A N THR 166.A OG1 no hydrogen 3.091 N/A THR 168.A OG1 THR 166.A OG1 no hydrogen 3.201 N/A ASP 170.A N THR 168.A OG1 no hydrogen 3.351 N/A TYR 172.A N TRP 169.A O no hydrogen 2.899 N/A TYR 172.A OH ASP 21.A OD2 no hydrogen 2.669 N/A LYS 173.A N ASP 170.A O no hydrogen 3.296 N/A