Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2p8j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A NH1 ASP 33.A OD1.B no hydrogen 2.806 N/A ARG 5.A NH2 ASP 33.A OD1.B no hydrogen 2.733 N/A GLN 6.A N GLN 6.A OE1 no hydrogen 2.779 N/A GLN 8.A NE2 GLU 173.A OE1 no hydrogen 2.782 N/A GLN 8.A NE2 ASP 192.A OD2 no hydrogen 2.820 N/A LEU 9.A N GLN 6.A O no hydrogen 3.067 N/A TYR 10.A N PRO 7.A O no hydrogen 2.974 N/A ARG 11.A NE GLN 8.A OE1 no hydrogen 2.767 N/A PHE 12.A N GLN 8.A O no hydrogen 2.959 N/A LEU 13.A N LEU 9.A O no hydrogen 2.864 N/A LYS 14.A N TYR 10.A O no hydrogen 3.143 N/A TYR 15.A N ARG 11.A O no hydrogen 3.074 N/A CYS 16.A N PHE 12.A O no hydrogen 2.900 N/A CYS 16.A SG PHE 12.A O no hydrogen 3.346 N/A ASN 17.A N LEU 13.A O no hydrogen 2.811 N/A ASN 17.A ND2 ASP 43.A OD2 no hydrogen 2.777 N/A GLU 18.A N LYS 14.A O no hydrogen 3.091 N/A GLU 18.A N TYR 15.A O no hydrogen 3.240 N/A SER 19.A N TYR 15.A O no hydrogen 3.147 N/A SER 19.A N CYS 16.A O no hydrogen 3.302 N/A LEU 21.A N SER 19.A OG no hydrogen 3.017 N/A LYS 23.A NZ CYS 16.A O no hydrogen 2.829 N/A LYS 23.A NZ SER 19.A O no hydrogen 2.819 N/A LYS 23.A NZ LEU 21.A O no hydrogen 2.917 N/A THR 24.A N ASP 22.A O no hydrogen 2.965 N/A VAL 25.A N LYS 46.A O no hydrogen 2.959 N/A LEU 26.A N PHE 89.A O no hydrogen 2.921 N/A ASP 27.A N TYR 48.A O no hydrogen 2.828 N/A CYS 28.A N TYR 91.A O no hydrogen 2.855 N/A GLY 29.A N ILE 50.A O no hydrogen 2.951 N/A ALA 30.A N ILE 50.A O no hydrogen 2.946 N/A GLY 31.A N GLU 51.A OE1 no hydrogen 2.785 N/A GLY 32.A N GLN 56.A O no hydrogen 2.866 N/A SER 38.A N PRO 35.A O no hydrogen 2.990 N/A SER 38.A OG PRO 35.A O no hydrogen 2.713 N/A ILE 39.A N PRO 36.A O no hydrogen 3.102 N/A PHE 40.A N LEU 37.A O no hydrogen 3.027 N/A VAL 41.A N LEU 37.A O no hydrogen 3.005 N/A GLU 42.A N SER 38.A O no hydrogen 3.001 N/A ASP 43.A N PHE 40.A O no hydrogen 2.916 N/A GLY 44.A N VAL 41.A O no hydrogen 3.164 N/A TYR 45.A N PHE 40.A O no hydrogen 3.041 N/A TYR 45.A OH ASN 17.A OD1 no hydrogen 2.709 N/A LYS 46.A N LYS 23.A O no hydrogen 2.834 N/A THR 47.A OG1 LEU 71.A O no hydrogen 2.619 N/A TYR 48.A N VAL 25.A O no hydrogen 2.856 N/A GLY 49.A N ASN 72.A O no hydrogen 3.020 N/A ILE 50.A N ASP 27.A O no hydrogen 2.973 N/A GLU 51.A N SER 74.A O no hydrogen 2.977 N/A SER 53.A N GLU 51.A OE2 no hydrogen 2.953 N/A GLN 56.A N SER 53.A OG no hydrogen 3.277 N/A LEU 57.A N SER 53.A O no hydrogen 2.931 N/A LYS 58.A N ASP 54.A O no hydrogen 2.984 N/A LYS 59.A N LEU 55.A O no hydrogen 3.016 N/A LYS 59.A NZ GLN 56.A OE1 no hydrogen 3.557 N/A ALA 60.A N GLN 56.A O no hydrogen 3.165 N/A GLU 61.A N LEU 57.A O no hydrogen 2.969 N/A ASN 62.A N LYS 58.A O no hydrogen 2.985 N/A ASN 62.A ND2 GLU 66.A OE2 no hydrogen 3.439 N/A PHE 63.A N LYS 59.A O no hydrogen 3.034 N/A SER 64.A N ALA 60.A O no hydrogen 2.905 N/A SER 64.A OG ALA 60.A O no hydrogen 2.882 N/A ARG 65.A N GLU 61.A O no hydrogen 3.021 N/A GLU 66.A N ASN 62.A O no hydrogen 2.940 N/A ASN 67.A N PHE 63.A O no hydrogen 2.895 N/A ASN 67.A N SER 64.A O no hydrogen 3.236 N/A ASN 67.A ND2 PHE 63.A O no hydrogen 2.835 N/A ASN 68.A N ARG 65.A O no hydrogen 3.357 N/A PHE 69.A N SER 64.A O no hydrogen 3.010 N/A ASN 72.A ND2 THR 47.A O no hydrogen 2.908 N/A SER 74.A N GLY 49.A O no hydrogen 2.900 N/A SER 74.A OG GLY 49.A O no hydrogen 3.501 N/A LYS 75.A NZ ASP 54.A OD1 no hydrogen 3.006 N/A LYS 75.A NZ ASP 54.A OD2 no hydrogen 3.477 N/A GLY 76.A N GLU 51.A O no hydrogen 3.045 N/A ARG 79.A N ASP 77.A OD1 no hydrogen 3.029 N/A ARG 79.A NE ASP 77.A OD1 no hydrogen 3.184 N/A ARG 79.A NH1 ASP 102.A OD1 no hydrogen 3.028 N/A ARG 79.A NH2 ASP 77.A OD2 no hydrogen 3.090 N/A LYS 80.A N ASP 77.A O no hydrogen 2.817 N/A LEU 81.A N GLU 109.A OE1 no hydrogen 2.817 N/A GLU 86.A N ARG 112.A O no hydrogen 2.969 N/A SER 87.A OG LYS 84.A O no hydrogen 2.720 N/A SER 88.A OG ASP 22.A O no hydrogen 2.724 N/A SER 88.A OG ASP 22.A OD1 no hydrogen 2.770 N/A PHE 89.A N THR 24.A O no hydrogen 3.107 N/A VAL 90.A N LEU 119.A O no hydrogen 2.991 N/A TYR 91.A N LEU 26.A O no hydrogen 2.934 N/A TYR 91.A OH ASP 27.A OD2 no hydrogen 2.732 N/A SER 92.A N CYS 121.A O no hydrogen 2.887 N/A SER 92.A OG CYS 28.A O no hydrogen 2.854 N/A TYR 93.A OH ASP 192.A OD2 no hydrogen 2.572 N/A GLY 94.A N ASN 123.A OD1 no hydrogen 2.822 N/A THR 95.A OG1 TYR 93.A O no hydrogen 3.179 N/A HIS 98.A N THR 95.A O no hydrogen 3.065 N/A LYS 100.A N GLU 142.A OE2 no hydrogen 2.692 N/A LYS 100.A NZ GLU 140.A O no hydrogen 3.278 N/A LYS 100.A NZ TYR 155.A O no hydrogen 2.890 N/A LYS 100.A NZ GLU 160.A OE1 no hydrogen 3.316 N/A LYS 100.A NZ GLU 160.A OE2 no hydrogen 2.656 N/A VAL 103.A N ARG 99.A O no hydrogen 2.945 N/A LYS 104.A N LYS 100.A O no hydrogen 3.053 N/A LYS 104.A NZ ASP 108.A OD2 no hydrogen 2.692 N/A GLU 105.A N ASN 101.A O no hydrogen 3.156 N/A ALA 106.A N ASP 102.A O no hydrogen 2.938 N/A ILE 107.A N VAL 103.A O no hydrogen 2.954 N/A ASP 108.A N LYS 104.A O no hydrogen 2.871 N/A GLU 109.A N GLU 105.A O no hydrogen 2.994 N/A ILE 110.A N ALA 106.A O no hydrogen 2.950 N/A LYS 111.A N ILE 107.A O no hydrogen 2.963 N/A LYS 111.A NZ TYR 164.A O no hydrogen 2.744 N/A ARG 112.A N ASP 108.A O no hydrogen 2.866 N/A ARG 112.A NE GLU 109.A OE2 no hydrogen 2.891 N/A ARG 112.A NH1 PHE 83.A O no hydrogen 2.956 N/A ARG 112.A NH1 ASP 85.A OD1 no hydrogen 2.871 N/A ARG 112.A NH2 PHE 83.A O no hydrogen 3.041 N/A ARG 112.A NH2 GLU 109.A OE1 no hydrogen 2.968 N/A VAL 113.A N GLU 109.A O no hydrogen 2.985 N/A LEU 114.A N ILE 110.A O no hydrogen 3.093 N/A LYS 115.A NZ SER 88.A OG no hydrogen 2.792 N/A GLY 117.A N LYS 197.A O no hydrogen 2.789 N/A GLY 118.A N LYS 115.A O no hydrogen 2.859 N/A LEU 119.A N SER 88.A O no hydrogen 3.141 N/A ALA 120.A N ALA 195.A O no hydrogen 2.813 N/A CYS 121.A N VAL 90.A O no hydrogen 2.991 N/A CYS 121.A SG TYR 193.A O no hydrogen 3.709 N/A ILE 122.A N TYR 193.A O no hydrogen 3.148 N/A ASN 123.A ND2 ASP 192.A OD1 no hydrogen 3.403 N/A PHE 124.A N VAL 191.A O no hydrogen 2.945 N/A THR 126.A N GLY 189.A O no hydrogen 2.982 N/A THR 127.A N VAL 156.A O no hydrogen 3.018 N/A LYS 128.A N THR 126.A OG1 no hydrogen 3.142 N/A LYS 128.A NZ ASP 174.A OD2 no hydrogen 2.847 N/A ASP 129.A N THR 126.A O no hydrogen 3.069 N/A GLU 130.A N LYS 187.A O no hydrogen 3.006 N/A ARG 131.A N ASP 129.A OD1 no hydrogen 2.939 N/A TYR 132.A N ASP 129.A O no hydrogen 3.004 N/A LYS 134.A N ARG 131.A O no hydrogen 3.004 N/A GLU 136.A N LEU 144.A O no hydrogen 3.042 N/A ILE 138.A N GLU 142.A O no hydrogen 2.824 N/A GLU 142.A N GLY 139.A O no hydrogen 3.013 N/A PHE 143.A N HIS 153.A O no hydrogen 2.861 N/A LEU 144.A N GLU 136.A O no hydrogen 2.806 N/A GLN 145.A N VAL 151.A O no hydrogen 2.671 N/A GLN 145.A NE2 ARG 131.A O no hydrogen 2.731 N/A GLN 145.A NE2 LYS 134.A O no hydrogen 2.805 N/A GLU 149.A N GLU 147.A O no hydrogen 3.079 N/A VAL 151.A N GLN 145.A O no hydrogen 2.648 N/A HIS 153.A N PHE 143.A O no hydrogen 2.837 N/A SER 154.A N PHE 97.A O no hydrogen 2.978 N/A TYR 155.A N GLY 141.A O no hydrogen 2.847 N/A TYR 155.A OH GLN 145.A OE1 no hydrogen 2.537 N/A VAL 156.A N LEU 125.A O no hydrogen 2.870 N/A SER 157.A N GLU 160.A OE1 no hydrogen 3.432 N/A GLU 160.A N SER 157.A OG no hydrogen 3.017 N/A ALA 161.A N SER 157.A O no hydrogen 2.900 N/A ASP 162.A N LEU 158.A O no hydrogen 2.942 N/A LYS 163.A N GLU 160.A O no hydrogen 3.168 N/A TYR 164.A N ALA 161.A O no hydrogen 3.200 N/A PHE 165.A N ASP 162.A O no hydrogen 2.994 N/A LYS 168.A N GLU 196.A O no hydrogen 2.942 N/A LEU 170.A N ILE 194.A O no hydrogen 2.820 N/A PHE 171.A N ILE 194.A O no hydrogen 3.133 N/A LYS 172.A NZ ASP 162.A OD1 no hydrogen 2.771 N/A LYS 172.A NZ ASP 162.A OD2 no hydrogen 3.158 N/A GLU 173.A N ASP 192.A O no hydrogen 2.895 N/A ARG 175.A N TYR 190.A O no hydrogen 2.799 N/A ARG 175.A NH1 ASP 192.A OD1 no hydrogen 3.217 N/A VAL 177.A N GLN 188.A O no hydrogen 2.825 N/A ARG 179.A N ILE 186.A O no hydrogen 3.134 N/A ARG 179.A NE GLN 188.A OE1 no hydrogen 2.687 N/A ARG 179.A NH2 GLN 188.A OE1 no hydrogen 2.847 N/A ASN 181.A N LEU 184.A O no hydrogen 2.884 N/A LEU 184.A N ASN 181.A O no hydrogen 3.152 N/A ILE 186.A N ARG 179.A O no hydrogen 2.802 N/A LYS 187.A N GLU 130.A OE1 no hydrogen 3.099 N/A GLN 188.A N VAL 177.A O no hydrogen 2.683 N/A GLY 189.A N ASP 129.A OD2 no hydrogen 3.001 N/A TYR 190.A N ARG 175.A O no hydrogen 3.039 N/A VAL 191.A N PHE 124.A O no hydrogen 2.953 N/A ASP 192.A N GLU 173.A O no hydrogen 2.957 N/A TYR 193.A N ILE 122.A O no hydrogen 2.897 N/A TYR 193.A OH ASP 162.A OD1 no hydrogen 2.670 N/A ILE 194.A N PHE 171.A O no hydrogen 2.806 N/A ALA 195.A N ALA 120.A O no hydrogen 2.891 N/A GLU 196.A N LYS 168.A O no hydrogen 2.709 N/A LYS 197.A N GLY 118.A O no hydrogen 2.922 N/A LYS 197.A NZ LYS 111.A O no hydrogen 2.682 N/A LYS 197.A NZ LEU 114.A O no hydrogen 2.738 N/A