Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8j2i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N GLY 27.A O no hydrogen 2.910 N/A PHE 6.A N GLY 25.A O no hydrogen 2.970 N/A LYS 7.A N TYR 106.A O no hydrogen 2.777 N/A LYS 7.A NZ.A PHE 8.A O no hydrogen 2.944 N/A LYS 7.A NZ.A GLU 22.A OE2 no hydrogen 2.975 N/A LYS 7.A NZ.B GLN 9.A OE1 no hydrogen 2.583 N/A PHE 8.A N GLY 23.A O no hydrogen 2.849 N/A GLN 9.A N ASN 108.A O no hydrogen 3.027 N/A LEU 10.A N VAL 21.A O no hydrogen 2.752 N/A LYS 11.A N VAL 110.A O no hydrogen 3.022 N/A GLY 12.A N PHE 19.A O no hydrogen 2.904 N/A THR 13.A N PHE 112.A O no hydrogen 2.956 N/A ILE 14.A N LYS 17.A O no hydrogen 2.941 N/A ASN 15.A N GLY 114.A O no hydrogen 2.917 N/A ASN 15.A ND2 PHE 117.A O no hydrogen 2.918 N/A LYS 17.A N ILE 14.A O no hydrogen 2.957 N/A PHE 19.A N GLY 12.A O no hydrogen 2.922 N/A THR 20.A N SER 42.A OG no hydrogen 3.055 N/A THR 20.A OG1 THR 41.A OG1 no hydrogen 2.727 N/A VAL 21.A N LEU 10.A O no hydrogen 3.018 N/A GLU 22.A N VAL 39.A O no hydrogen 3.013 N/A GLY 23.A N PHE 8.A O no hydrogen 2.878 N/A GLU 24.A N LYS 37.A O no hydrogen 3.093 N/A GLY 25.A N PHE 6.A O no hydrogen 3.217 N/A GLU 26.A N LYS 35.A O no hydrogen 3.187 N/A GLY 27.A N THR 4.A O no hydrogen 3.025 N/A ASN 28.A N SER 33.A O no hydrogen 2.892 N/A ASN 28.A ND2 MET 1.A O no hydrogen 2.874 N/A ASN 28.A ND2 SER 3.A OG no hydrogen 3.353 N/A HIS 30.A N ASN 28.A OD1 no hydrogen 2.850 N/A HIS 30.A ND1 GLU 31.A OE1 no hydrogen 3.139 N/A GLU 31.A N ASN 28.A O no hydrogen 3.189 N/A GLU 31.A N ASN 28.A OD1 no hydrogen 3.208 N/A GLY 32.A N ASN 28.A O no hydrogen 2.861 N/A SER 33.A N ASN 28.A O no hydrogen 3.365 N/A HIS 34.A N GLU 208.A O no hydrogen 3.090 N/A LYS 35.A N GLU 26.A O no hydrogen 3.014 N/A GLY 36.A N GLN 206.A O no hydrogen 2.998 N/A LYS 37.A N GLU 24.A O no hydrogen 3.151 N/A LYS 37.A NZ ASP 196.A OD2 no hydrogen 3.442 N/A LYS 37.A NZ GLU 199.A OE2 no hydrogen 2.715 N/A TYR 38.A N ILE 204.A O no hydrogen 2.849 N/A VAL 39.A N GLU 22.A O no hydrogen 2.829 N/A CYS 40.A N ASP 202.A O no hydrogen 2.890 N/A CYS 40.A SG THR 20.A O no hydrogen 3.495 N/A CYS 40.A SG SER 42.A OG no hydrogen 3.250 N/A CYS 40.A SG GLY 43.A O no hydrogen 3.196 N/A THR 41.A N THR 20.A O no hydrogen 3.010 N/A THR 41.A OG1 THR 20.A OG1 no hydrogen 2.727 N/A GLY 43.A N CYS 40.A O no hydrogen 3.468 N/A LEU 45.A N ASP 202.A OD2 no hydrogen 2.847 N/A SER 48.A N VAL 123.A O no hydrogen 2.800 N/A TRP 49.A NE1 ASP 202.A OD1 no hydrogen 3.219 N/A ALA 51.A N SER 48.A OG no hydrogen 3.125 N/A LEU 52.A N TRP 49.A O no hydrogen 3.070 N/A GLY 53.A N ALA 50.A O no hydrogen 3.000 N/A PHE 56.A N LEU 52.A O no hydrogen 3.018 N/A LYS 58.A NZ HIS 138.A NE2 no hydrogen 3.092 N/A TYR 59.A OH HIS 99.A ND1 no hydrogen 2.828 N/A TYR 60.A N MET 57.A O no hydrogen 3.092 N/A TYR 60.A OH THR 4.A O no hydrogen 2.722 N/A THR 61.A N LYS 58.A O no hydrogen 2.977 N/A THR 61.A OG1 LYS 58.A O no hydrogen 2.681 N/A LYS 62.A N LEU 210.A O no hydrogen 3.070 N/A TYR 63.A OH HIS 185.A NE2 no hydrogen 2.704 N/A LEU 67.A N PRO 64.A O no hydrogen 3.163 N/A LYS 68.A NZ ASP 181.A O no hydrogen 2.730 N/A ASN 69.A ND2 TYR 59.A O no hydrogen 3.570 N/A TRP 70.A NE1 PRO 180.A O no hydrogen 3.062 N/A HIS 72.A N ASN 69.A O no hydrogen 3.199 N/A HIS 72.A N ASN 69.A OD1 no hydrogen 3.175 N/A GLU 73.A N ASN 69.A O no hydrogen 2.954 N/A VAL 74.A N TRP 70.A O no hydrogen 3.085 N/A MET 75.A N HIS 72.A O no hydrogen 3.085 N/A GLU 77.A N GLU 77.A OE2 no hydrogen 2.860 N/A GLY 78.A N VAL 74.A O no hydrogen 2.835 N/A PHE 79.A N HIS 99.A O no hydrogen 2.907 N/A THR 80.A N LYS 172.A O no hydrogen 2.803 N/A THR 80.A OG1 LYS 172.A O no hydrogen 3.317 N/A TYR 81.A N HIS 97.A O no hydrogen 3.032 N/A ASP 82.A N ILE 170.A O no hydrogen 2.865 N/A ARG 83.A N ALA 95.A O no hydrogen 2.888 N/A ARG 83.A NE THR 169.A OG1 no hydrogen 2.737 N/A ARG 83.A NH1 THR 54.A O no hydrogen 2.937 N/A ARG 83.A NH2 THR 169.A OG1 no hydrogen 3.412 N/A HIS 84.A N ASN 168.A O no hydrogen 2.934 N/A ILE 85.A N ILE 93.A O no hydrogen 2.773 N/A GLN 86.A N HIS 166.A O no hydrogen 2.823 N/A GLN 86.A NE2 TYR 87.A O no hydrogen 3.014 N/A GLN 86.A NE2 ASP 90.A O no hydrogen 3.107 N/A TYR 87.A N GLY 91.A O no hydrogen 2.947 N/A LYS 88.A N GLU 164.A O no hydrogen 2.928 N/A ASP 90.A N TYR 87.A O no hydrogen 3.049 N/A GLY 91.A N ASP 90.A OD1 no hydrogen 2.856 N/A SER 92.A N GLN 115.A O no hydrogen 2.955 N/A ILE 93.A N ILE 85.A O no hydrogen 2.764 N/A HIS 94.A N THR 113.A O no hydrogen 2.871 N/A HIS 94.A NE2 ASP 82.A OD1 no hydrogen 2.570 N/A ALA 95.A N ARG 83.A O no hydrogen 2.906 N/A LYS 96.A N GLU 111.A O no hydrogen 2.930 N/A HIS 97.A N TYR 81.A O no hydrogen 3.065 N/A HIS 97.A ND1 ASN 108.A OD1 no hydrogen 2.840 N/A GLN 98.A N ILE 109.A O no hydrogen 2.902 N/A HIS 99.A N PHE 79.A O no hydrogen 2.809 N/A HIS 99.A ND1 TYR 59.A OH no hydrogen 2.828 N/A PHE 100.A N HIS 107.A O no hydrogen 3.110 N/A MET 101.A N PRO 76.A O no hydrogen 3.168 N/A LYS 102.A N THR 105.A O no hydrogen 2.959 N/A THR 105.A N LYS 102.A O no hydrogen 3.031 N/A TYR 106.A N PRO 5.A O no hydrogen 2.904 N/A HIS 107.A N PHE 100.A O no hydrogen 2.758 N/A HIS 107.A ND1 THR 105.A O no hydrogen 3.128 N/A ASN 108.A N LYS 7.A O no hydrogen 2.954 N/A ASN 108.A ND2 SER 55.A O no hydrogen 3.209 N/A ASN 108.A ND2 PHE 56.A O no hydrogen 3.588 N/A ILE 109.A N GLN 98.A O no hydrogen 2.945 N/A VAL 110.A N GLN 9.A O no hydrogen 2.771 N/A GLU 111.A N LYS 96.A O no hydrogen 2.850 N/A PHE 112.A N LYS 11.A O no hydrogen 2.874 N/A THR 113.A N HIS 94.A O no hydrogen 2.942 N/A GLY 114.A N THR 13.A O no hydrogen 2.836 N/A GLN 115.A N SER 92.A O no hydrogen 2.921 N/A PHE 117.A N ASN 15.A OD1 no hydrogen 3.128 N/A LYS 118.A N ASP 90.A OD1 no hydrogen 2.983 N/A ASN 120.A N ASN 120.A OD1 no hydrogen 2.316 N/A SER 121.A N LYS 118.A O no hydrogen 2.810 N/A SER 121.A OG ASP 90.A OD2 no hydrogen 2.573 N/A VAL 123.A N SER 121.A OG no hydrogen 3.088 N/A LEU 124.A N SER 121.A O no hydrogen 2.823 N/A THR 125.A N SER 121.A O no hydrogen 2.955 N/A THR 125.A OG1 SER 121.A O no hydrogen 3.426 N/A GLY 126.A N PRO 122.A O no hydrogen 3.036 N/A ASP 127.A N THR 125.A OG1 no hydrogen 3.378 N/A ASN 129.A N PRO 154.A O no hydrogen 2.735 N/A VAL 130.A N ASN 129.A OD1 no hydrogen 2.853 N/A SER 131.A N TYR 191.A OH no hydrogen 3.098 N/A SER 131.A OG TYR 191.A OH no hydrogen 2.607 N/A LEU 132.A N LEU 152.A O no hydrogen 2.871 N/A ASN 134.A N LYS 189.A O no hydrogen 3.077 N/A ASN 134.A ND2 THR 150.A O no hydrogen 3.170 N/A VAL 136.A N ILE 187.A O no hydrogen 2.824 N/A HIS 138.A N HIS 185.A O no hydrogen 2.888 N/A HIS 138.A ND1 VAL 136.A O no hydrogen 2.972 N/A ILE 139.A N GLU 146.A O no hydrogen 2.877 N/A ARG 141.A N GLY 144.A O no hydrogen 2.876 N/A ARG 141.A NE GLU 146.A OE2 no hydrogen 2.867 N/A ARG 141.A NH2 GLU 146.A OE2 no hydrogen 2.898 N/A GLY 144.A N ARG 141.A O no hydrogen 3.064 N/A VAL 145.A N CYS 171.A O no hydrogen 2.983 N/A GLU 146.A N ILE 139.A O no hydrogen 2.893 N/A CYS 147.A N THR 169.A O no hydrogen 2.883 N/A CYS 147.A SG SER 137.A O no hydrogen 3.740 N/A VAL 149.A N GLN 167.A O no hydrogen 2.829 N/A LEU 151.A N ALA 165.A O no hydrogen 2.863 N/A TYR 153.A N VAL 163.A O no hydrogen 2.884 N/A LEU 155.A N LYS 161.A O no hydrogen 3.018 N/A SER 157.A N ASP 127.A OD1 no hydrogen 2.852 N/A SER 157.A OG ASP 127.A OD1 no hydrogen 3.369 N/A SER 157.A OG ASP 127.A OD2 no hydrogen 2.653 N/A SER 160.A N ASP 158.A OD1 no hydrogen 3.008 N/A SER 160.A OG ASP 158.A OD1 no hydrogen 2.770 N/A SER 160.A OG ASP 158.A OD2 no hydrogen 3.425 N/A LYS 161.A N ASP 158.A O no hydrogen 3.144 N/A VAL 163.A N TYR 153.A O no hydrogen 2.774 N/A ALA 165.A N LEU 151.A O no hydrogen 2.927 N/A HIS 166.A N GLN 86.A O no hydrogen 2.756 N/A HIS 166.A NE2.B GLU 164.A OE1 no hydrogen 2.577 N/A GLN 167.A N VAL 149.A O no hydrogen 2.831 N/A GLN 167.A NE2 THR 54.A OG1 no hydrogen 2.836 N/A ASN 168.A N HIS 84.A O no hydrogen 2.899 N/A ASN 168.A ND2 GLU 146.A OE1 no hydrogen 3.039 N/A THR 169.A N CYS 147.A O no hydrogen 3.105 N/A ILE 170.A N ASP 82.A O no hydrogen 2.965 N/A CYS 171.A N VAL 145.A O no hydrogen 2.774 N/A LYS 172.A N THR 80.A O no hydrogen 3.227 N/A LYS 172.A NZ ASP 143.A OD2 no hydrogen 3.292 N/A LEU 174.A N GLY 78.A O no hydrogen 2.993 N/A GLN 177.A N HIS 175.A O no hydrogen 2.667 N/A HIS 185.A ND1 PRO 183.A O no hydrogen 2.819 N/A HIS 185.A NE2 TYR 63.A OH no hydrogen 2.704 N/A TRP 186.A N HIS 213.A O no hydrogen 3.054 N/A ILE 187.A N VAL 136.A O no hydrogen 2.955 N/A ARG 188.A N GLU 211.A O no hydrogen 2.879 N/A ARG 188.A NH1 GLU 135.A OE2 no hydrogen 2.914 N/A LYS 189.A N ASN 134.A O no hydrogen 2.903 N/A GLN 190.A N THR 209.A O no hydrogen 3.121 N/A TYR 191.A OH SER 131.A OG no hydrogen 2.607 N/A THR 192.A N SER 207.A O no hydrogen 2.878 N/A GLN 193.A NE2 TRP 49.A O no hydrogen 3.101 N/A GLN 193.A NE2 GLN 206.A OE1 no hydrogen 2.926 N/A SER 194.A N CYS 205.A O no hydrogen 2.939 N/A LYS 195.A NZ HIS 203.A O no hydrogen 2.708 N/A ASP 196.A N HIS 203.A NE2 no hydrogen 2.886 N/A THR 198.A N ASP 196.A OD1 no hydrogen 2.957 N/A THR 198.A OG1 ASP 196.A OD1 no hydrogen 2.716 N/A THR 198.A OG1 ASP 196.A OD2 no hydrogen 3.421 N/A GLU 199.A N ASP 196.A O no hydrogen 2.946 N/A ARG 201.A N GLU 199.A OE1 no hydrogen 3.017 N/A ARG 201.A NE GLU 199.A OE1 no hydrogen 2.784 N/A ARG 201.A NH2 GLU 199.A OE1 no hydrogen 3.555 N/A ARG 201.A NH2 GLU 199.A OE2 no hydrogen 2.934 N/A HIS 203.A ND1 ARG 201.A O no hydrogen 2.911 N/A ILE 204.A N TYR 38.A O no hydrogen 2.918 N/A CYS 205.A N SER 194.A O no hydrogen 2.740 N/A GLN 206.A N GLY 36.A O no hydrogen 2.932 N/A GLN 206.A NE2 GLY 53.A O no hydrogen 3.033 N/A GLN 206.A NE2 GLU 208.A OE1 no hydrogen 2.973 N/A SER 207.A N THR 192.A O no hydrogen 3.021 N/A GLU 208.A N HIS 34.A O no hydrogen 2.826 N/A THR 209.A N GLN 190.A O no hydrogen 2.895 N/A THR 209.A OG1 GLN 190.A O no hydrogen 3.492 N/A LEU 210.A N GLY 32.A O no hydrogen 2.890 N/A GLU 211.A N ARG 188.A O no hydrogen 2.990 N/A ALA 212.A N LYS 62.A O no hydrogen 2.863 N/A HIS 213.A N TRP 186.A O no hydrogen 2.857 N/A HIS 213.A ND1 LEU 214.A O no hydrogen 2.737 N/A HIS 213.A NE2 GLU 135.A OE1 no hydrogen 2.685 N/A