Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k4z_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 5.A N GLU 3.A OE2 no hydrogen 2.729 N/A SER 6.A N ASP 4.A OD1 no hydrogen 3.027 N/A THR 8.A N SER 6.A OG no hydrogen 3.126 N/A LEU 9.A N SER 6.A OG no hydrogen 2.998 N/A TYR 12.A OH TYR 18.A O no hydrogen 2.607 N/A ASN 14.A N PRO 11.A O no hydrogen 3.126 N/A ASP 15.A N TYR 12.A O no hydrogen 3.007 N/A LEU 16.A N LEU 170.A O no hydrogen 2.871 N/A LEU 17.A N ASP 15.A OD1 no hydrogen 3.085 N/A TYR 18.A N HIS 74.A NE2 no hydrogen 3.152 N/A ARG 20.A NE ASP 4.A OD2 no hydrogen 2.750 N/A ARG 20.A NH1 PRO 10.A O no hydrogen 2.906 N/A ARG 20.A NH1 ASP 15.A OD2 no hydrogen 2.858 N/A ARG 20.A NH2 ASP 4.A OD1 no hydrogen 2.861 N/A ARG 20.A NH2 ASP 4.A OD2 no hydrogen 3.423 N/A ARG 20.A NH2 PRO 10.A O no hydrogen 3.142 N/A PHE 22.A N GLU 19.A OE2 no hydrogen 2.749 N/A ASP 23.A N THR 21.A OG1 no hydrogen 3.220 N/A GLY 25.A N PHE 22.A O no hydrogen 2.949 N/A CYS 27.A SG TRP 30.A O no hydrogen 3.891 N/A TRP 30.A N CYS 27.A O no hydrogen 3.001 N/A TRP 30.A NE1 GLU 19.A O no hydrogen 2.859 N/A HIS 31.A N ARG 73.A O no hydrogen 3.000 N/A HIS 31.A ND1 PRO 29.A O no hydrogen 2.853 N/A CYS 33.A N GLN 71.A O no hydrogen 3.059 N/A ASP 35.A N SER 69.A O no hydrogen 2.882 N/A SER 36.A OG ASP 35.A OD2 no hydrogen 2.757 N/A SER 36.A OG SER 69.A OG no hydrogen 2.702 N/A GLY 38.A N ASP 35.A O no hydrogen 2.812 N/A LYS 39.A N ASP 62.A O no hydrogen 2.968 N/A CYS 40.A N GLU 34.A OE2 no hydrogen 2.929 N/A SER 41.A N THR 59.A O no hydrogen 3.032 N/A ASP 43.A N ALA 57.A O no hydrogen 2.876 N/A VAL 44.A N ASP 43.A OD1 no hydrogen 3.020 N/A VAL 45.A N ALA 55.A O no hydrogen 3.068 N/A VAL 47.A N ASN 53.A O no hydrogen 2.984 N/A GLN 50.A N VAL 47.A O no hydrogen 2.971 N/A ASN 53.A N GLN 50.A O no hydrogen 2.976 N/A ASN 53.A ND2 GLN 50.A OE1 no hydrogen 3.260 N/A ASN 53.A ND2 ASP 166.A OD2 no hydrogen 2.754 N/A LYS 54.A N ASP 23.A OD1 no hydrogen 3.050 N/A LYS 54.A NZ ASP 46.A OD1 no hydrogen 2.654 N/A LYS 54.A NZ GLU 198.A O.A no hydrogen 3.291 N/A LYS 54.A NZ GLU 198.A O.B no hydrogen 3.170 N/A ALA 55.A N VAL 45.A O no hydrogen 2.919 N/A PHE 56.A N LEU 165.A O no hydrogen 2.938 N/A ALA 57.A N ASP 43.A O no hydrogen 2.846 N/A VAL 58.A N VAL 163.A O no hydrogen 2.890 N/A THR 59.A N SER 41.A O no hydrogen 2.752 N/A THR 59.A OG1 THR 162.A OG1 no hydrogen 2.845 N/A VAL 60.A N TYR 161.A O no hydrogen 2.828 N/A LEU 61.A N LYS 39.A O no hydrogen 2.879 N/A ASP 62.A N LYS 39.A O no hydrogen 3.174 N/A GLY 64.A N ASP 62.A OD1 no hydrogen 2.882 N/A GLN 65.A N SER 36.A O no hydrogen 2.978 N/A GLN 65.A N SER 69.A OG no hydrogen 3.231 N/A ASN 66.A N SER 69.A OG no hydrogen 2.964 N/A ASN 66.A ND2 SER 36.A OG no hydrogen 2.915 N/A SER 69.A N ASN 66.A O no hydrogen 3.050 N/A SER 69.A OG ASP 35.A O no hydrogen 3.054 N/A SER 69.A OG SER 36.A O no hydrogen 3.297 N/A SER 69.A OG SER 36.A OG no hydrogen 2.702 N/A SER 69.A OG ASN 66.A O no hydrogen 3.186 N/A GLN 71.A N CYS 33.A O no hydrogen 2.952 N/A GLN 71.A NE2 TRP 68.A O no hydrogen 2.818 N/A MET 72.A N PHE 149.A O no hydrogen 3.044 N/A ARG 73.A N HIS 31.A O no hydrogen 2.990 N/A ARG 73.A NE HIS 31.A NE2 no hydrogen 3.133 N/A ARG 73.A NH1 GLN 71.A OE1 no hydrogen 2.932 N/A HIS 74.A N PHE 147.A O no hydrogen 3.108 N/A HIS 74.A ND1 ARG 75.A O no hydrogen 3.076 N/A ARG 75.A NE GLU 146.A OE1 no hydrogen 2.982 N/A LEU 77.A N CYS 145.A O no hydrogen 3.034 N/A LEU 79.A N ASP 142.A O no hydrogen 3.046 N/A GLU 80.A N TYR 85.A OH no hydrogen 2.745 N/A GLN 81.A N THR 141.A OG1 no hydrogen 2.888 N/A GLN 81.A NE2 ASP 138.A O no hydrogen 3.280 N/A GLY 82.A N MET 137.A O no hydrogen 2.628 N/A HIS 83.A N GLU 80.A O no hydrogen 2.921 N/A HIS 83.A ND1 ASP 172.A OD2 no hydrogen 2.635 N/A TYR 85.A N PHE 135.A O no hydrogen 2.752 N/A ARG 86.A N TYR 171.A O no hydrogen 2.869 N/A ARG 86.A NH1 ASP 132.A OD2 no hydrogen 2.970 N/A VAL 87.A N GLU 133.A O no hydrogen 2.640 N/A ARG 88.A N.A SER 169.A O no hydrogen 3.042 N/A ARG 88.A N.B SER 169.A O no hydrogen 3.048 N/A ARG 88.A NH1.B THR 8.A O no hydrogen 2.780 N/A ARG 88.A NH2.B THR 8.A O no hydrogen 3.554 N/A LEU 89.A N ILE 131.A O no hydrogen 3.180 N/A LYS 90.A N ASP 166.A O no hydrogen 2.943 N/A LYS 90.A NZ ASP 167.A OD2 no hydrogen 2.536 N/A ILE 91.A N LEU 129.A O no hydrogen 2.873 N/A TRP 92.A N TYR 164.A O no hydrogen 3.254 N/A ASP 94.A N THR 162.A O no hydrogen 3.123 N/A CYS 97.A N LEU 123.A O no hydrogen 3.005 N/A CYS 97.A SG ALA 95.A O no hydrogen 3.719 N/A CYS 97.A SG LYS 98.A O no hydrogen 4.009 N/A LYS 98.A N LEU 155.A O no hydrogen 2.846 N/A LYS 98.A NZ THR 122.A OG1 no hydrogen 2.824 N/A VAL 99.A N TYR 121.A O no hydrogen 2.901 N/A TYR 100.A N HIS 150.A O no hydrogen 3.004 N/A TYR 100.A OH GLU 112.A OE1 no hydrogen 2.595 N/A LYS 102.A N THR 148.A O no hydrogen 3.015 N/A LYS 102.A NZ GLU 112.A OE2 no hydrogen 2.976 N/A ILE 103.A N.A TRP 114.A O no hydrogen 2.817 N/A ILE 103.A N.B TRP 114.A O no hydrogen 2.821 N/A GLY 104.A N GLU 146.A O no hydrogen 3.051 N/A GLN 105.A N ALA 111.A O no hydrogen 2.958 N/A GLN 105.A NE2 ASP 142.A OD1 no hydrogen 2.886 N/A MET 106.A N.A THR 144.A O no hydrogen 2.888 N/A MET 106.A N.B THR 144.A O no hydrogen 2.892 N/A TYR 110.A N GLY 107.A O no hydrogen 2.877 N/A ALA 111.A N GLN 105.A OE1 no hydrogen 2.934 N/A TYR 113.A N ILE 103.A O.A no hydrogen 2.824 N/A TYR 113.A N ILE 103.A O.B no hydrogen 3.017 N/A TRP 114.A N ILE 103.A O.A no hydrogen 3.251 N/A TRP 114.A NE1 GLU 133.A OE1 no hydrogen 3.142 N/A ASN 115.A ND2 GLU 112.A OE1 no hydrogen 2.805 N/A ASN 116.A ND2 SER 119.A O no hydrogen 2.892 N/A TRP 118.A N ASN 115.A O no hydrogen 2.999 N/A TRP 118.A N ASN 115.A OD1 no hydrogen 2.948 N/A SER 119.A N ASN 116.A O no hydrogen 3.084 N/A SER 119.A OG ASN 116.A O no hydrogen 3.422 N/A SER 119.A OG LYS 117.A O no hydrogen 3.335 N/A TYR 121.A N VAL 99.A O no hydrogen 2.767 N/A LEU 123.A N CYS 97.A O no hydrogen 2.816 N/A ALA 125.A N SER 96.A OG no hydrogen 2.864 N/A GLY 126.A N ALA 93.A O no hydrogen 2.783 N/A LYS 127.A N THR 124.A O no hydrogen 2.876 N/A LEU 129.A N ILE 91.A O no hydrogen 2.772 N/A ILE 131.A N LEU 89.A O no hydrogen 2.872 N/A GLU 133.A N VAL 87.A O no hydrogen 2.977 N/A PHE 135.A N TYR 85.A O no hydrogen 2.963 N/A MET 137.A N HIS 83.A O no hydrogen 2.845 N/A LYS 139.A NZ ASP 138.A OD1 no hydrogen 2.584 N/A ASP 142.A N LEU 79.A O no hydrogen 3.038 N/A THR 144.A N ASP 142.A OD2 no hydrogen 2.766 N/A THR 144.A OG1 ASP 142.A OD2 no hydrogen 2.581 N/A CYS 145.A N LEU 77.A O no hydrogen 2.890 N/A CYS 145.A SG ASP 142.A O no hydrogen 3.750 N/A CYS 145.A SG ASP 142.A OD2 no hydrogen 3.683 N/A GLU 146.A N GLY 104.A O no hydrogen 2.745 N/A PHE 147.A N HIS 74.A O no hydrogen 2.994 N/A THR 148.A N LYS 102.A O no hydrogen 2.872 N/A PHE 149.A N MET 72.A O no hydrogen 2.844 N/A HIS 150.A N TYR 100.A O no hydrogen 2.804 N/A LEU 151.A N VAL 70.A O no hydrogen 2.825 N/A GLY 152.A N ARG 67.A O no hydrogen 2.827 N/A GLY 153.A N LYS 63.A O no hydrogen 2.898 N/A GLU 154.A N GLU 154.A OE1 no hydrogen 2.874 N/A LEU 155.A N GLY 152.A O no hydrogen 3.006 N/A ALA 156.A N GLY 153.A O no hydrogen 3.247 N/A ALA 157.A N TYR 161.A OH no hydrogen 3.113 N/A TYR 161.A N VAL 60.A O no hydrogen 3.292 N/A THR 162.A N ASP 94.A OD2 no hydrogen 2.901 N/A THR 162.A OG1 THR 59.A OG1 no hydrogen 2.845 N/A VAL 163.A N VAL 58.A O no hydrogen 2.917 N/A TYR 164.A N TRP 92.A O no hydrogen 2.785 N/A LEU 165.A N PHE 56.A O no hydrogen 2.771 N/A ASP 166.A N LYS 90.A O no hydrogen 3.020 N/A VAL 168.A N ARG 20.A O no hydrogen 2.990 N/A SER 169.A N ARG 88.A O.A no hydrogen 2.706 N/A SER 169.A N ARG 88.A O.B no hydrogen 2.686 N/A SER 169.A OG ASP 15.A OD2 no hydrogen 2.351 N/A LEU 170.A N ASP 15.A OD1 no hydrogen 2.915 N/A TYR 171.A N ARG 86.A O no hydrogen 2.970 N/A ASP 172.A N ASN 14.A O no hydrogen 3.127 N/A GLU 174.A N ASP 172.A OD1 no hydrogen 2.973 N/A TYR 175.A N ASP 172.A O no hydrogen 2.822 N/A LYS 177.A N LYS 13.A O no hydrogen 2.824 N/A LYS 177.A NZ TYR 12.A O no hydrogen 2.734 N/A LYS 177.A NZ ASP 15.A O no hydrogen 2.588 N/A LYS 177.A NZ LEU 17.A O no hydrogen 2.719 N/A GLN 185.A NE2.B LEU 183.A O no hydrogen 2.877 N/A ASP 187.A N THR 264.A O no hydrogen 2.761 N/A VAL 188.A N TYR 266.A O no hydrogen 2.981 N/A ARG 189.A N THR 204.A O no hydrogen 2.724 N/A ARG 189.A NE PRO 186.A O no hydrogen 2.708 N/A ASN 191.A N TYR 195.A OH no hydrogen 2.860 N/A VAL 193.A N ASN 191.A OD1 no hydrogen 2.990 N/A GLY 194.A N ASN 191.A OD1 no hydrogen 3.216 N/A TYR 195.A N ASP 271.A O no hydrogen 2.950 N/A GLY 199.A N LEU 196.A O no hydrogen 2.891 N/A LYS 200.A N ASP 23.A O no hydrogen 2.991 N/A LYS 201.A N SER 244.A OG no hydrogen 2.811 N/A LYS 201.A NZ PRO 197.A O no hydrogen 2.705 N/A LYS 201.A NZ GLY 199.A O no hydrogen 2.901 N/A LYS 201.A NZ SER 244.A O no hydrogen 2.899 N/A LYS 201.A NZ PHE 246.A O no hydrogen 2.725 N/A ALA 203.A N LEU 241.A O no hydrogen 2.749 N/A THR 204.A N ARG 189.A O no hydrogen 3.108 N/A VAL 205.A N HIS 239.A O no hydrogen 2.756 N/A VAL 206.A N ASP 187.A O no hydrogen 2.865 N/A CYS 207.A N TYR 237.A O no hydrogen 3.014 N/A CYS 207.A SG SER 209.A O no hydrogen 3.941 N/A CYS 207.A SG HIS 239.A NE2 no hydrogen 3.258 N/A SER 209.A OG GLN 211.A O no hydrogen 2.815 N/A GLN 211.A N SER 209.A OG no hydrogen 2.914 N/A VAL 213.A N THR 230.A OG1 no hydrogen 3.076 N/A LYS 214.A NZ.B GLY 228.A O no hydrogen 2.760 N/A TRP 215.A N GLY 228.A O no hydrogen 2.910 N/A GLN 216.A N GLU 256.A O.A no hydrogen 2.963 N/A GLN 216.A N GLU 256.A O.B no hydrogen 2.974 N/A GLN 216.A NE2 GLU 227.A OE2 no hydrogen 3.126 N/A LEU 217.A N LEU 226.A O no hydrogen 2.846 N/A LYS 218.A N TYR 254.A O no hydrogen 2.866 N/A LYS 218.A NZ GLU 256.A OE1.A no hydrogen 3.062 N/A LYS 218.A NZ GLU 256.A OE1.B no hydrogen 2.387 N/A LYS 218.A NZ GLU 256.A OE2.A no hydrogen 3.435 N/A ASN 219.A N VAL 223.A O no hydrogen 3.092 N/A GLY 222.A N ASN 219.A O no hydrogen 2.931 N/A VAL 223.A N ASN 219.A OD1 no hydrogen 3.117 N/A VAL 225.A N LEU 217.A O no hydrogen 2.805 N/A GLY 228.A N TRP 215.A O no hydrogen 3.029 N/A THR 230.A N VAL 213.A O no hydrogen 2.995 N/A THR 230.A OG1 HIS 239.A ND1 no hydrogen 2.706 N/A GLU 231.A N TRP 240.A O no hydrogen 2.912 N/A LYS 233.A N VAL 238.A O no hydrogen 2.966 N/A LYS 233.A NZ GLU 231.A OE2 no hydrogen 3.339 N/A GLY 234.A N VAL 238.A O no hydrogen 3.264 N/A TYR 237.A N CYS 207.A O no hydrogen 2.884 N/A VAL 238.A N GLY 234.A O no hydrogen 2.767 N/A HIS 239.A N VAL 205.A O no hydrogen 2.695 N/A HIS 239.A ND1 THR 230.A OG1 no hydrogen 2.706 N/A HIS 239.A NE2 SER 209.A O no hydrogen 2.863 N/A TRP 240.A N GLU 231.A O no hydrogen 2.847 N/A LEU 241.A N ALA 203.A O no hydrogen 2.707 N/A PHE 243.A N LYS 201.A O no hydrogen 2.854 N/A SER 244.A N ASP 242.A OD1 no hydrogen 3.030 N/A SER 244.A OG LYS 201.A O no hydrogen 3.488 N/A SER 244.A OG ASP 242.A OD1 no hydrogen 2.820 N/A PHE 246.A N PHE 243.A O no hydrogen 2.985 N/A GLY 250.A N ILE 272.A O no hydrogen 2.950 N/A GLY 252.A N ASP 271.A OD1 no hydrogen 3.012 N/A TYR 253.A OH THR 248.A O no hydrogen 2.577 N/A TYR 254.A N LYS 218.A O no hydrogen 2.923 N/A PHE 255.A N SER 267.A OG no hydrogen 2.959 N/A GLU 256.A N.A GLN 216.A O no hydrogen 2.919 N/A GLU 256.A N.B GLN 216.A O no hydrogen 2.924 N/A LEU 257.A N ASN 265.A O no hydrogen 2.889 N/A VAL 260.A N LEU 257.A O no hydrogen 3.132 N/A SER 262.A OG ASP 187.A OD2 no hydrogen 2.773 N/A THR 264.A N SER 262.A OG no hydrogen 3.061 N/A THR 264.A OG1 ASP 187.A OD1 no hydrogen 2.619 N/A THR 264.A OG1 SER 262.A OG no hydrogen 3.205 N/A ASN 265.A ND2 LEU 257.A O no hydrogen 3.073 N/A SER 267.A N PHE 255.A O no hydrogen 3.046 N/A SER 267.A OG HIS 268.A O no hydrogen 2.770 N/A HIS 268.A NE2 GLN 185.A OE1.B no hydrogen 3.029 N/A PHE 270.A N TYR 253.A O no hydrogen 2.902 N/A ASP 271.A N VAL 193.A O no hydrogen 3.009 N/A ILE 272.A N GLY 250.A O no hydrogen 2.987 N/A ARG 273.A N TYR 195.A O no hydrogen 2.971 N/A LYS 274.A NZ GLU 249.A OE2 no hydrogen 3.325 N/A