Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mdk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N VAL 54.A O no hydrogen 2.710 N/A CYS 4.A N GLN 28.A O no hydrogen 2.831 N/A CYS 4.A SG TYR 5.A O no hydrogen 3.810 N/A CYS 4.A SG THR 52.A O no hydrogen 3.897 N/A TYR 5.A N THR 52.A O no hydrogen 2.832 N/A SER 6.A N ILE 30.A O no hydrogen 2.972 N/A ASP 7.A N SER 13.A OG no hydrogen 2.973 N/A ALA 9.A N ASP 7.A OD1 no hydrogen 2.973 N/A ASP 10.A N ASP 7.A O no hydrogen 3.029 N/A TYR 12.A N ASP 10.A OD1 no hydrogen 3.137 N/A TYR 12.A OH ASP 103.A OD2 no hydrogen 2.477 N/A SER 13.A N ASP 10.A OD2 no hydrogen 3.092 N/A SER 13.A OG ASP 10.A OD2 no hydrogen 3.075 N/A HIS 14.A N ASP 10.A O no hydrogen 2.923 N/A HIS 14.A NE2 SER 186.A OG no hydrogen 2.924 N/A ARG 15.A N HIS 11.A O no hydrogen 3.051 N/A ARG 15.A NH2 GLN 95.A OE1 no hydrogen 2.874 N/A ARG 17.A N SER 13.A O no hydrogen 2.968 N/A ARG 17.A NE SER 6.A OG no hydrogen 2.754 N/A ARG 17.A NH1 SER 186.A O no hydrogen 2.920 N/A ARG 17.A NH1 GLU 191.A OE1 no hydrogen 2.792 N/A ARG 17.A NH1 GLU 191.A OE2 no hydrogen 3.347 N/A ARG 17.A NH2 ASP 7.A O no hydrogen 3.321 N/A ARG 17.A NH2 GLU 191.A OE2 no hydrogen 2.887 N/A LEU 18.A N HIS 14.A O no hydrogen 2.914 N/A VAL 19.A N ARG 15.A O no hydrogen 2.984 N/A LEU 20.A N VAL 16.A O no hydrogen 2.950 N/A ALA 21.A N ARG 17.A O no hydrogen 2.849 N/A GLU 22.A N LEU 18.A O no hydrogen 2.829 N/A LYS 23.A N VAL 19.A O no hydrogen 2.991 N/A LYS 23.A NZ GLU 70.A OE1 no hydrogen 2.872 N/A LYS 23.A NZ TYR 73.A O no hydrogen 2.765 N/A LYS 23.A NZ PRO 76.A O no hydrogen 2.655 N/A GLY 24.A N ALA 21.A O no hydrogen 3.218 N/A VAL 25.A N LEU 20.A O no hydrogen 3.290 N/A GLN 28.A N LEU 2.A O no hydrogen 2.892 N/A ILE 30.A N CYS 4.A O no hydrogen 2.861 N/A VAL 32.A N SER 6.A O no hydrogen 2.835 N/A ALA 35.A N ASP 33.A OD1 no hydrogen 2.722 N/A HIS 36.A N ASP 33.A O no hydrogen 2.878 N/A LEU 41.A N PRO 38.A O no hydrogen 3.160 N/A ALA 42.A N PRO 38.A O no hydrogen 3.114 N/A GLU 43.A N ARG 39.A O no hydrogen 2.939 N/A VAL 44.A N LEU 41.A O no hydrogen 3.125 N/A ASN 45.A N LEU 41.A O no hydrogen 2.887 N/A ASN 45.A ND2 SER 49.A OG no hydrogen 2.929 N/A ASN 45.A ND2 THR 52.A OG1 no hydrogen 2.954 N/A TYR 47.A N ASN 45.A OD1 no hydrogen 2.870 N/A GLY 48.A N ASN 45.A O no hydrogen 2.998 N/A THR 52.A N TYR 5.A O no hydrogen 2.981 N/A THR 52.A OG1 SER 49.A O no hydrogen 2.581 N/A LEU 53.A N LEU 60.A O no hydrogen 2.737 N/A VAL 54.A N ALA 3.A O no hydrogen 2.796 N/A ASP 55.A N LEU 58.A O no hydrogen 3.022 N/A ARG 56.A N ASP 55.A OD1 no hydrogen 2.864 N/A LEU 58.A N ASP 55.A O no hydrogen 3.370 N/A LEU 60.A N LEU 53.A O no hydrogen 2.925 N/A THR 64.A N GLU 62.A OE2 no hydrogen 3.117 N/A THR 64.A OG1 GLU 62.A OE1 no hydrogen 2.245 N/A VAL 65.A N GLU 62.A OE1 no hydrogen 2.935 N/A VAL 66.A N GLU 62.A O no hydrogen 3.033 N/A TYR 68.A N VAL 65.A O no hydrogen 3.033 N/A LEU 69.A N VAL 66.A O no hydrogen 2.920 N/A GLU 71.A N GLU 67.A O no hydrogen 3.058 N/A ARG 72.A N.A TYR 68.A O no hydrogen 2.753 N/A ARG 72.A N.B TYR 68.A O no hydrogen 2.773 N/A ARG 72.A NE.B ARG 72.A O.B no hydrogen 2.664 N/A TYR 73.A N LEU 69.A O no hydrogen 3.109 N/A LEU 78.A N GLU 70.A OE1 no hydrogen 2.768 N/A ARG 85.A N TYR 81.A O no hydrogen 3.036 N/A ARG 85.A NH1 PRO 79.A O no hydrogen 2.906 N/A GLY 86.A N PRO 82.A O no hydrogen 3.023 N/A ASN 87.A N VAL 83.A O no hydrogen 2.969 N/A SER 88.A N ALA 84.A O no hydrogen 2.888 N/A SER 88.A OG ALA 84.A O no hydrogen 3.120 N/A ARG 89.A N ARG 85.A O no hydrogen 2.817 N/A ARG 89.A NE GLU 67.A OE2 no hydrogen 2.896 N/A ARG 89.A NH2 GLU 67.A OE1 no hydrogen 3.096 N/A LEU 90.A N GLY 86.A O no hydrogen 2.892 N/A LEU 91.A N ASN 87.A O no hydrogen 2.966 N/A ARG 93.A N LEU 90.A O no hydrogen 2.876 N/A ARG 93.A NH2 ASP 97.A OD2 no hydrogen 3.513 N/A ILE 94.A N LEU 91.A O no hydrogen 2.872 N/A GLN 95.A NE2 TYR 12.A OH no hydrogen 2.845 N/A ARG 96.A N HIS 92.A O no hydrogen 2.945 N/A ASP 97.A N ARG 93.A O no hydrogen 2.881 N/A TRP 98.A N ILE 94.A O no hydrogen 2.989 N/A CYS 99.A N ILE 94.A O no hydrogen 2.935 N/A CYS 99.A SG HIS 11.A NE2 no hydrogen 3.993 N/A CYS 99.A SG ILE 94.A O no hydrogen 3.724 N/A ALA 100.A N GLN 95.A O no hydrogen 3.001 N/A ALA 102.A N TRP 98.A O no hydrogen 2.860 N/A ASP 103.A N CYS 99.A O no hydrogen 2.840 N/A THR 104.A N ALA 100.A O no hydrogen 3.156 N/A THR 104.A N LEU 101.A O no hydrogen 3.211 N/A THR 104.A OG1 ALA 100.A O no hydrogen 3.462 N/A THR 104.A OG1 LEU 101.A O no hydrogen 2.803 N/A VAL 105.A N LEU 101.A O no hydrogen 3.241 N/A LEU 106.A N ALA 102.A O no hydrogen 3.204 N/A ASP 107.A N ASP 103.A O no hydrogen 2.993 N/A ARG 109.A N ASP 107.A OD1 no hydrogen 2.681 N/A SER 110.A N ASP 107.A O no hydrogen 3.293 N/A SER 110.A OG SER 111.A O no hydrogen 2.663 N/A ARG 115.A N SER 111.A O no hydrogen 3.278 N/A ARG 115.A NE VAL 105.A O no hydrogen 2.731 N/A ARG 115.A NH1 GLU 112.A OE1 no hydrogen 2.726 N/A ARG 115.A NH2 ASP 107.A O no hydrogen 2.619 N/A ARG 115.A NH2 SER 110.A O no hydrogen 3.523 N/A THR 116.A N GLU 112.A O no hydrogen 3.094 N/A THR 116.A OG1 GLU 112.A O no hydrogen 2.853 N/A GLU 117.A N ALA 113.A O no hydrogen 3.164 N/A ALA 118.A N ALA 114.A O no hydrogen 3.110 N/A ARG 119.A N ARG 115.A O no hydrogen 3.079 N/A ARG 119.A NE LEU 160.A O no hydrogen 2.600 N/A LYS 120.A N THR 116.A O no hydrogen 3.309 N/A ALA 121.A N GLU 117.A O no hydrogen 2.828 N/A LEU 122.A N ALA 118.A O no hydrogen 2.965 N/A ARG 123.A N ARG 119.A O no hydrogen 2.835 N/A GLU 124.A N LYS 120.A O no hydrogen 3.100 N/A SER 125.A N ALA 121.A O no hydrogen 3.067 N/A SER 125.A OG ALA 121.A O no hydrogen 2.994 N/A LEU 126.A N LEU 122.A O no hydrogen 3.174 N/A THR 127.A N ARG 123.A O no hydrogen 3.124 N/A THR 127.A OG1 ARG 123.A O no hydrogen 3.005 N/A GLY 128.A N GLU 124.A O no hydrogen 2.872 N/A VAL 129.A N SER 125.A O no hydrogen 3.102 N/A LEU 132.A N VAL 129.A O no hydrogen 2.828 N/A PHE 133.A N SER 130.A O no hydrogen 2.887 N/A SER 134.A N PRO 131.A O no hydrogen 3.126 N/A GLU 135.A N LEU 132.A O no hydrogen 3.191 N/A ALA 137.A N ASP 141.A OD1 no hydrogen 3.102 N/A CYS 138.A N SER 140.A O no hydrogen 2.810 N/A CYS 138.A SG GLN 143.A OE1 no hydrogen 3.599 N/A PHE 139.A N ASP 147.A OD1 no hydrogen 2.932 N/A GLU 142.A N SER 140.A OG no hydrogen 3.116 N/A GLN 143.A NE2 GLN 177.A OE1 no hydrogen 3.022 N/A SER 144.A N ASP 147.A OD2 no hydrogen 2.822 N/A SER 144.A OG.A ASP 147.A OD2 no hydrogen 3.173 N/A SER 144.A OG.B LEU 78.A O no hydrogen 3.137 N/A LEU 145.A N LEU 78.A O no hydrogen 2.832 N/A VAL 146.A N SER 144.A OG.A no hydrogen 3.059 N/A VAL 146.A N SER 144.A OG.B no hydrogen 3.046 N/A CYS 148.A N SER 144.A O no hydrogen 3.113 N/A CYS 148.A SG SER 144.A O no hydrogen 3.543 N/A CYS 149.A N LEU 145.A O no hydrogen 3.025 N/A CYS 149.A N VAL 146.A O no hydrogen 3.208 N/A CYS 149.A SG LEU 145.A O no hydrogen 3.561 N/A LEU 150.A N VAL 146.A O no hydrogen 3.055 N/A LEU 151.A N ASP 147.A O no hydrogen 2.698 N/A ILE 153.A N LEU 150.A O no hydrogen 2.938 N/A LEU 154.A N LEU 150.A O no hydrogen 3.041 N/A TRP 155.A N LEU 151.A O no hydrogen 2.835 N/A TRP 155.A NE1 GLU 191.A O no hydrogen 2.822 N/A ARG 156.A N ILE 153.A O no hydrogen 2.875 N/A ARG 156.A NH1 HIS 14.A ND1 no hydrogen 3.069 N/A ARG 156.A NH1 PRO 152.A O no hydrogen 2.903 N/A ARG 156.A NH2 ALA 9.A O no hydrogen 2.853 N/A ARG 156.A NH2 GLU 191.A OE2 no hydrogen 2.827 N/A LEU 157.A N LEU 154.A O no hydrogen 3.143 N/A LEU 160.A N ARG 156.A O no hydrogen 2.896 N/A GLY 161.A N PRO 158.A O no hydrogen 3.070 N/A ILE 162.A N LEU 157.A O no hydrogen 3.066 N/A ALA 168.A N PRO 165.A O no hydrogen 2.972 N/A LYS 169.A NZ ASP 173.A OD1 no hydrogen 3.256 N/A LYS 169.A NZ ASP 173.A OD2 no hydrogen 2.924 N/A LEU 172.A N ALA 168.A O no hydrogen 2.946 N/A ASP 173.A N LYS 169.A O no hydrogen 2.680 N/A TYR 174.A N PRO 170.A O no hydrogen 2.975 N/A TYR 174.A OH ASP 147.A OD1 no hydrogen 2.568 N/A ARG 176.A N ASP 173.A O no hydrogen 3.076 N/A ARG 176.A NH1 ALA 137.A O no hydrogen 2.811 N/A GLN 177.A N TYR 174.A O no hydrogen 2.768 N/A GLN 177.A NE2 GLN 143.A OE1 no hydrogen 3.250 N/A ARG 180.A N GLN 177.A O no hydrogen 3.157 N/A ARG 180.A NH1 GLU 22.A OE2 no hydrogen 2.705 N/A ARG 180.A NH2 GLU 22.A OE1 no hydrogen 2.872 N/A ARG 180.A NH2 GLU 22.A OE2 no hydrogen 3.484 N/A GLN 184.A N ARG 180.A O no hydrogen 3.012 N/A GLN 184.A NE2 PHE 178.A O no hydrogen 2.822 N/A ALA 185.A N GLU 181.A O no hydrogen 2.885 N/A SER 186.A N PRO 182.A O no hydrogen 3.030 N/A SER 186.A N PHE 183.A O no hydrogen 3.037 N/A SER 186.A OG HIS 14.A NE2 no hydrogen 2.924 N/A SER 186.A OG PHE 183.A O no hydrogen 2.747 N/A LEU 187.A N GLN 184.A O no hydrogen 3.442 N/A SER 188.A N GLU 191.A OE1 no hydrogen 2.847 N/A SER 188.A OG PRO 8.A O no hydrogen 2.586 N/A GLU 191.A N SER 188.A OG no hydrogen 2.955 N/A ARG 192.A N SER 188.A O no hydrogen 2.996 N/A ARG 192.A NH1 GLN 184.A OE1 no hydrogen 3.032 N/A ARG 192.A NH2 GLN 184.A OE1 no hydrogen 3.025 N/A GLU 193.A N VAL 190.A O no hydrogen 3.077 N/A ARG 194.A NE TRP 155.A O no hydrogen 2.731 N/A ARG 194.A NH1 LEU 154.A O no hydrogen 3.067 N/A