Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r12_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 5.A N LYS 1.A O no hydrogen 2.974 N/A HIS 6.A N ILE 2.A O no hydrogen 2.830 N/A HIS 6.A ND1 GLU 136.A OE1 no hydrogen 2.657 N/A HIS 7.A N HIS 3.A O no hydrogen 2.793 N/A HIS 8.A N HIS 4.A O no hydrogen 2.972 N/A GLU 10.A N HIS 7.A O no hydrogen 2.912 N/A TYR 11.A N HIS 8.A O no hydrogen 2.997 N/A ILE 13.A N ILE 9.A O no hydrogen 2.907 N/A GLU 14.A N GLU 10.A O no hydrogen 2.929 N/A GLU 15.A N TYR 11.A O no hydrogen 2.908 N/A ALA 16.A N ARG 12.A O no hydrogen 3.124 N/A VAL 17.A N ILE 13.A O no hydrogen 2.817 N/A ALA 18.A N GLU 14.A O no hydrogen 2.853 N/A LYS 19.A N GLU 15.A O no hydrogen 3.033 N/A TYR 20.A N ALA 16.A O no hydrogen 2.889 N/A ARG 21.A N VAL 17.A O no hydrogen 2.898 N/A GLU 22.A N.A ALA 18.A O no hydrogen 3.005 N/A GLU 22.A N.B ALA 18.A O no hydrogen 2.967 N/A PHE 23.A N LYS 19.A O no hydrogen 2.785 N/A TYR 24.A N TYR 20.A O no hydrogen 2.947 N/A TYR 24.A OH HIS 200.A ND1 no hydrogen 2.654 N/A ARG 30.A NE.B ILE 225.A O no hydrogen 2.757 N/A ARG 30.A NH1.B ILE 225.A O no hydrogen 2.826 N/A GLY 34.A N ASP 37.A OD2 no hydrogen 2.988 N/A VAL 38.A N GLY 34.A O no hydrogen 2.945 N/A LYS 39.A N ILE 35.A O no hydrogen 2.898 N/A SER 40.A N GLU 36.A O no hydrogen 2.977 N/A SER 40.A OG GLU 36.A O no hydrogen 3.059 N/A ALA 41.A N ASP 37.A O no hydrogen 3.143 N/A ALA 41.A N VAL 38.A O no hydrogen 3.001 N/A ILE 42.A N LYS 39.A O no hydrogen 3.217 N/A GLU 43.A N ILE 231.A O no hydrogen 2.890 N/A HIS 44.A N GLY 70.A O no hydrogen 2.862 N/A HIS 44.A NE2 GLU 62.A OE1 no hydrogen 2.768 N/A THR 45.A N THR 233.A O no hydrogen 2.866 N/A THR 45.A OG1 GLU 43.A O no hydrogen 2.803 N/A THR 45.A OG1 THR 233.A O no hydrogen 3.542 N/A ASN 46.A N CYS 72.A O no hydrogen 3.013 N/A LYS 48.A N ASN 46.A OD1 no hydrogen 3.040 N/A ALA 51.A N LYS 48.A O no hydrogen 3.106 N/A THR 52.A N ASP 55.A OD2 no hydrogen 3.105 N/A ASP 55.A N THR 52.A OG1 no hydrogen 3.134 N/A ILE 56.A N THR 52.A O no hydrogen 3.163 N/A LYS 57.A N PRO 53.A O no hydrogen 2.881 N/A LYS 58.A N ASP 54.A O no hydrogen 2.948 N/A LEU 59.A N ASP 55.A O no hydrogen 2.876 N/A CYS 60.A N ILE 56.A O no hydrogen 2.942 N/A CYS 60.A SG ILE 56.A O no hydrogen 3.346 N/A LEU 61.A N LYS 57.A O no hydrogen 3.013 N/A GLU 62.A N LYS 58.A O no hydrogen 2.912 N/A ALA 63.A N LEU 59.A O no hydrogen 2.937 N/A ARG 64.A N CYS 60.A O no hydrogen 2.954 N/A GLU 65.A N LEU 61.A O no hydrogen 2.812 N/A ASN 66.A N GLU 62.A O no hydrogen 2.993 N/A ASN 66.A ND2 GLU 62.A O no hydrogen 2.787 N/A ARG 67.A N ARG 64.A O no hydrogen 3.353 N/A ARG 67.A NH1 GLU 36.A OE1 no hydrogen 2.793 N/A ARG 67.A NH2 GLU 36.A OE1 no hydrogen 3.148 N/A ARG 67.A NH2 GLU 36.A OE2 no hydrogen 2.947 N/A PHE 68.A N ALA 63.A O no hydrogen 3.068 N/A GLY 70.A N ILE 42.A O no hydrogen 3.389 N/A VAL 71.A N LYS 91.A O no hydrogen 2.801 N/A CYS 72.A N HIS 44.A O no hydrogen 2.967 N/A CYS 72.A SG VAL 93.A O no hydrogen 3.866 N/A VAL 73.A N VAL 93.A O no hydrogen 3.058 N/A ASN 74.A ND2 LEU 47.A O no hydrogen 3.052 N/A TYR 77.A N ASN 74.A O no hydrogen 2.997 N/A TYR 77.A OH ALA 51.A O no hydrogen 2.655 N/A VAL 78.A N PRO 75.A O no hydrogen 3.215 N/A ALA 81.A N TYR 77.A O no hydrogen 2.939 N/A ARG 82.A N VAL 78.A O no hydrogen 2.936 N/A ARG 82.A NE GLY 119.A O no hydrogen 3.080 N/A ARG 82.A NH2 GLY 119.A O no hydrogen 2.766 N/A ARG 82.A NH2 ASP 121.A OD2 no hydrogen 2.642 N/A GLU 83.A N LYS 79.A O.A no hydrogen 2.883 N/A GLU 83.A N LYS 79.A O.B no hydrogen 2.915 N/A GLU 84.A N LEU 80.A O no hydrogen 2.835 N/A LEU 85.A N ALA 81.A O no hydrogen 2.956 N/A LEU 85.A N ARG 82.A O no hydrogen 3.319 N/A GLU 86.A N GLU 83.A O no hydrogen 3.382 N/A THR 88.A N LEU 85.A O no hydrogen 2.871 N/A THR 88.A OG1 LEU 85.A O no hydrogen 2.699 N/A VAL 90.A N THR 88.A OG1 no hydrogen 3.200 N/A LYS 91.A N HIS 69.A O no hydrogen 3.034 N/A VAL 92.A N ASP 121.A OD2 no hydrogen 2.834 N/A VAL 93.A N VAL 71.A O no hydrogen 2.795 N/A THR 94.A N GLU 122.A O no hydrogen 3.096 N/A THR 94.A OG1 VAL 73.A O no hydrogen 2.607 N/A VAL 95.A N THR 94.A OG1 no hydrogen 2.780 N/A VAL 96.A N ASP 124.A O no hydrogen 2.979 N/A GLY 97.A N GLU 111.A OE1 no hydrogen 2.861 N/A GLY 101.A N GLY 97.A O no hydrogen 2.707 N/A THR 105.A OG1 ASP 141.A OD1 no hydrogen 2.688 N/A ARG 106.A NE GLU 104.A OE1 no hydrogen 2.888 N/A ARG 106.A NH2 GLU 104.A OE1 no hydrogen 3.160 N/A LYS 108.A N GLU 104.A O no hydrogen 3.213 N/A LYS 108.A NZ GLY 101.A O no hydrogen 2.559 N/A LYS 108.A NZ VAL 125.A O no hydrogen 2.806 N/A LYS 108.A NZ ASP 141.A OD2 no hydrogen 2.849 N/A ALA 109.A N THR 105.A O no hydrogen 2.903 N/A HIS 110.A N ARG 106.A O no hydrogen 2.899 N/A HIS 110.A ND1 ARG 106.A O no hydrogen 2.726 N/A GLU 111.A N THR 107.A O no hydrogen 2.844 N/A ALA 112.A N LYS 108.A O no hydrogen 2.991 N/A ILE 113.A N ALA 109.A O no hydrogen 2.999 N/A PHE 114.A N HIS 110.A O no hydrogen 2.870 N/A ALA 115.A N GLU 111.A O no hydrogen 2.833 N/A VAL 116.A N ALA 112.A O no hydrogen 3.069 N/A GLU 117.A N ILE 113.A O no hydrogen 2.963 N/A SER 118.A N PHE 114.A O no hydrogen 2.904 N/A SER 118.A OG PHE 114.A O no hydrogen 3.206 N/A GLY 119.A N VAL 116.A O no hydrogen 3.079 N/A ALA 120.A N ALA 115.A O no hydrogen 2.882 N/A ASP 121.A N VAL 92.A O no hydrogen 2.730 N/A GLU 122.A N VAL 92.A O no hydrogen 3.300 N/A ILE 123.A N VAL 153.A O no hydrogen 2.881 N/A ASP 124.A N THR 94.A O no hydrogen 2.835 N/A ILE 126.A N ILE 157.A O no hydrogen 2.978 N/A LYS 131.A N VAL 128.A O no hydrogen 2.915 N/A LYS 131.A NZ TYR 162.A O no hydrogen 2.646 N/A LYS 131.A NZ GLU 167.A OE1 no hydrogen 2.846 N/A ALA 132.A N GLY 129.A O no hydrogen 2.966 N/A LYS 133.A N LEU 130.A O no hydrogen 2.926 N/A TRP 135.A NE1 GLU 10.A OE1 no hydrogen 2.739 N/A VAL 138.A N GLU 134.A O no hydrogen 2.998 N/A TYR 139.A N TRP 135.A O no hydrogen 2.828 N/A GLU 140.A N GLU 136.A O no hydrogen 2.877 N/A ASP 141.A N TYR 137.A O no hydrogen 2.926 N/A ILE 142.A N VAL 138.A O no hydrogen 3.131 N/A ARG 143.A N TYR 139.A O no hydrogen 2.747 N/A ARG 143.A NH1 ALA 178.A O no hydrogen 2.887 N/A SER 144.A N GLU 140.A O no hydrogen 2.848 N/A VAL 146.A N ILE 142.A O no hydrogen 3.020 N/A GLU 147.A N ARG 143.A O no hydrogen 2.890 N/A SER 148.A N SER 144.A O no hydrogen 3.018 N/A SER 148.A OG SER 144.A O no hydrogen 2.521 N/A VAL 149.A N VAL 145.A O no hydrogen 3.196 N/A LYS 150.A N.A GLU 147.A O no hydrogen 3.362 N/A LYS 150.A N.B GLU 147.A O no hydrogen 3.362 N/A LYS 152.A N VAL 149.A O no hydrogen 2.862 N/A VAL 154.A N HIS 181.A ND1.A no hydrogen 3.170 N/A LYS 155.A N ILE 123.A O no hydrogen 2.723 N/A LYS 155.A NZ GLU 43.A OE1 no hydrogen 2.965 N/A LYS 155.A NZ GLU 43.A OE2 no hydrogen 3.357 N/A LYS 155.A NZ GLU 122.A OE1 no hydrogen 2.630 N/A LYS 155.A NZ ASP 124.A OD1 no hydrogen 2.777 N/A VAL 156.A N PHE 182.A O no hydrogen 2.906 N/A ILE 158.A N LYS 184.A O no hydrogen 2.978 N/A THR 160.A N THR 185.A O no hydrogen 2.872 N/A THR 160.A OG1 THR 185.A O no hydrogen 3.443 N/A THR 160.A OG1 ASP 198.A OD2 no hydrogen 3.451 N/A TYR 162.A N GLU 159.A O no hydrogen 3.157 N/A LEU 163.A N THR 160.A O no hydrogen 2.991 N/A ASP 164.A N GLU 167.A OE1 no hydrogen 2.926 N/A GLU 167.A N ASP 164.A OD1 no hydrogen 2.928 N/A LYS 168.A N ASP 164.A O no hydrogen 2.881 N/A LYS 168.A NZ ASP 198.A OD1 no hydrogen 2.516 N/A LYS 168.A NZ ASP 198.A OD2 no hydrogen 3.467 N/A ILE 169.A N THR 165.A O no hydrogen 2.995 N/A ALA 170.A N GLU 166.A O no hydrogen 2.790 N/A ALA 171.A N GLU 167.A O no hydrogen 2.853 N/A CYS 172.A N LYS 168.A O no hydrogen 3.109 N/A CYS 172.A SG LYS 168.A O no hydrogen 3.342 N/A VAL 173.A N ILE 169.A O no hydrogen 2.995 N/A ILE 174.A N ALA 170.A O no hydrogen 2.937 N/A SER 175.A N ALA 171.A O no hydrogen 2.974 N/A SER 175.A OG ALA 171.A O no hydrogen 2.801 N/A LYS 176.A N CYS 172.A O no hydrogen 2.935 N/A LYS 176.A NZ VAL 205.A O no hydrogen 3.028 N/A LYS 176.A NZ GLU 208.A OE1 no hydrogen 3.451 N/A LEU 177.A N VAL 173.A O no hydrogen 2.911 N/A ALA 178.A N ILE 174.A O no hydrogen 2.895 N/A GLY 179.A N LYS 176.A O no hydrogen 3.223 N/A ALA 180.A N SER 175.A O no hydrogen 3.281 N/A HIS 181.A N.A VAL 154.A O no hydrogen 2.964 N/A HIS 181.A N.B VAL 154.A O no hydrogen 3.025 N/A PHE 182.A N VAL 154.A O no hydrogen 3.206 N/A VAL 183.A N GLY 209.A O no hydrogen 2.912 N/A LYS 184.A N VAL 156.A O no hydrogen 2.743 N/A LYS 184.A NZ SER 186.A O no hydrogen 2.722 N/A LYS 184.A NZ SER 213.A OG no hydrogen 3.100 N/A THR 185.A N LYS 211.A O no hydrogen 3.027 N/A THR 185.A OG1 SER 186.A OG no hydrogen 3.140 N/A THR 185.A OG1 SER 213.A O no hydrogen 2.874 N/A SER 186.A OG THR 185.A OG1 no hydrogen 3.140 N/A SER 186.A OG SER 213.A O no hydrogen 3.270 N/A THR 187.A N GLU 159.A OE1 no hydrogen 2.967 N/A THR 187.A OG1 GLU 159.A OE1 no hydrogen 3.534 N/A THR 187.A OG1 GLU 159.A OE2 no hydrogen 2.602 N/A PHE 189.A N THR 187.A OG1 no hydrogen 2.896 N/A ALA 194.A N GLY 214.A O no hydrogen 3.006 N/A GLU 197.A N GLU 197.A OE1 no hydrogen 2.868 N/A ASP 198.A N THR 195.A OG1 no hydrogen 3.094 N/A VAL 199.A N THR 195.A O no hydrogen 2.985 N/A HIS 200.A N ALA 196.A O no hydrogen 2.948 N/A HIS 200.A ND1 TYR 24.A OH no hydrogen 2.654 N/A LEU 201.A N GLU 197.A O no hydrogen 2.986 N/A LYS 202.A NZ GLY 206.A O no hydrogen 3.327 N/A LYS 202.A NZ ASP 229.A OD2 no hydrogen 2.887 N/A TRP 203.A N HIS 200.A O no hydrogen 2.883 N/A ILE 204.A N LEU 201.A O no hydrogen 2.961 N/A GLY 206.A N LYS 202.A O no hydrogen 2.851 N/A GLY 209.A N HIS 181.A O.A no hydrogen 2.946 N/A GLY 209.A N HIS 181.A O.B no hydrogen 2.868 N/A VAL 210.A N ASP 229.A OD2 no hydrogen 2.967 N/A LYS 211.A N VAL 183.A O no hydrogen 2.818 N/A LYS 211.A NZ GLU 43.A OE1 no hydrogen 2.482 N/A LYS 211.A NZ ASP 124.A OD2 no hydrogen 2.803 N/A ALA 212.A N ARG 230.A O.A no hydrogen 3.003 N/A ALA 212.A N ARG 230.A O.B no hydrogen 2.995 N/A SER 213.A N THR 185.A OG1 no hydrogen 2.933 N/A ARG 217.A N ASP 221.A OD2 no hydrogen 2.995 N/A ARG 217.A NE SER 235.A OG no hydrogen 2.751 N/A ARG 217.A NH2 SER 235.A OG no hydrogen 2.997 N/A THR 218.A N ASP 221.A OD2 no hydrogen 3.224 N/A THR 218.A OG1 GLU 220.A OE1 no hydrogen 3.539 N/A GLU 220.A N GLU 220.A OE1 no hydrogen 2.814 N/A ASP 221.A N THR 218.A OG1 no hydrogen 3.129 N/A ALA 222.A N THR 218.A O no hydrogen 3.045 N/A VAL 223.A N PHE 219.A O no hydrogen 2.941 N/A LYS 224.A N GLU 220.A O no hydrogen 3.026 N/A GLY 227.A N ILE 225.A O no hydrogen 3.173 N/A ASP 229.A N VAL 210.A O no hydrogen 2.827 N/A ARG 230.A N.A VAL 210.A O no hydrogen 3.309 N/A ARG 230.A N.B VAL 210.A O no hydrogen 3.319 N/A ARG 230.A NH1.A GLU 43.A OE2 no hydrogen 2.737 N/A ARG 230.A NH1.A GLU 122.A OE1 no hydrogen 2.891 N/A ARG 230.A NH1.A GLU 122.A OE2 no hydrogen 3.358 N/A ARG 230.A NH1.B ASP 229.A O no hydrogen 2.797 N/A ILE 231.A N ALA 41.A O no hydrogen 2.876 N/A GLY 232.A N ALA 212.A O no hydrogen 2.755 N/A THR 233.A N GLU 43.A O no hydrogen 3.405 N/A THR 233.A OG1 ILE 216.A O no hydrogen 2.607 N/A SER 235.A N THR 233.A OG1 no hydrogen 2.867 N/A ILE 239.A N SER 235.A O no hydrogen 2.851 N/A VAL 240.A N GLY 236.A O no hydrogen 2.991 N/A GLN 241.A N VAL 237.A O no hydrogen 2.980 N/A GLY 242.A N LYS 238.A O no hydrogen 2.883 N/A GLY 243.A N ILE 239.A O no hydrogen 3.001 N/A GLU 244.A N VAL 240.A O no hydrogen 2.984 N/A GLU 245.A N GLN 241.A O no hydrogen 2.883 N/A ARG 246.A N GLY 242.A O no hydrogen 2.805 N/A ARG 246.A NE GLU 220.A OE2 no hydrogen 2.792 N/A ARG 246.A NH2 GLU 220.A OE1 no hydrogen 2.863 N/A ARG 246.A NH2 GLU 220.A OE2 no hydrogen 3.492 N/A TYR 247.A N GLY 243.A O no hydrogen 2.868 N/A TYR 247.A OH GLU 220.A OE2 no hydrogen 2.583 N/A