Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5x4x_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A NE2 ARG 238.A O no hydrogen 3.050 N/A GLU 3.A N HIS 1.A ND1 no hydrogen 3.411 N/A LEU 4.A N HIS 1.A O no hydrogen 2.898 N/A GLN 5.A N GLY 2.A O no hydrogen 2.862 N/A GLN 5.A NE2 GLY 2.A O no hydrogen 3.431 N/A GLN 5.A NE2 ARG 37.A O no hydrogen 2.576 N/A TYR 6.A OH MET 183.A O no hydrogen 2.537 N/A LEU 7.A N GLU 3.A O no hydrogen 3.017 N/A GLY 8.A N LEU 4.A O no hydrogen 2.754 N/A GLN 9.A N GLN 5.A O no hydrogen 2.937 N/A ILE 10.A N TYR 6.A O no hydrogen 2.997 N/A GLN 11.A N LEU 7.A O no hydrogen 2.970 N/A HIS 12.A N GLY 8.A O no hydrogen 3.033 N/A ILE 13.A N GLN 9.A O no hydrogen 3.029 N/A LEU 14.A N ILE 10.A O no hydrogen 2.910 N/A ARG 15.A N GLN 11.A O no hydrogen 2.823 N/A CYS 16.A N HIS 12.A O no hydrogen 2.730 N/A GLY 17.A N ILE 13.A O no hydrogen 2.662 N/A VAL 18.A N SER 30.A O no hydrogen 3.047 N/A LYS 20.A N THR 28.A O no hydrogen 2.938 N/A LYS 20.A NZ ASP 218.A OD2 no hydrogen 2.861 N/A ASP 22.A N THR 26.A O no hydrogen 3.033 N/A THR 24.A OG1 ASP 22.A OD1 no hydrogen 2.679 N/A THR 24.A OG1 ASP 22.A OD2 no hydrogen 3.468 N/A THR 24.A OG1 THR 26.A OG1 no hydrogen 2.581 N/A GLY 25.A N ASP 22.A O no hydrogen 2.837 N/A THR 26.A N ASP 22.A OD1 no hydrogen 3.163 N/A THR 26.A N THR 24.A OG1 no hydrogen 3.340 N/A THR 26.A OG1 THR 24.A OG1 no hydrogen 2.581 N/A THR 28.A N LYS 20.A O no hydrogen 2.862 N/A THR 28.A OG1 LYS 20.A O no hydrogen 2.711 N/A LEU 29.A N ILE 221.A O no hydrogen 2.860 N/A SER 30.A N VAL 18.A O no hydrogen 2.850 N/A SER 30.A OG ASP 218.A OD1 no hydrogen 2.478 N/A VAL 31.A N ALA 219.A O no hydrogen 2.877 N/A GLY 33.A N GLY 217.A O no hydrogen 2.804 N/A MET 34.A N LEU 216.A O no hydrogen 3.192 N/A GLN 35.A NE2 THR 215.A OG1 no hydrogen 2.954 N/A ALA 36.A N HIS 214.A O no hydrogen 2.992 N/A ARG 37.A N GLN 5.A OE1 no hydrogen 2.971 N/A ARG 37.A NH2 ASP 211.A OD2 no hydrogen 3.202 N/A TYR 38.A N PHE 212.A O no hydrogen 2.674 N/A LEU 40.A N GLY 210.A O no hydrogen 2.741 N/A ARG 41.A N SER 39.A OG no hydrogen 3.335 N/A ARG 41.A NE GLU 171.A OE1 no hydrogen 3.143 N/A ARG 41.A NE GLU 171.A OE2 no hydrogen 3.221 N/A ARG 41.A NH1 ASP 211.A OD1 no hydrogen 2.917 N/A ARG 41.A NH2 GLU 171.A OE1 no hydrogen 2.890 N/A ARG 41.A NH2 ASP 211.A OD2 no hydrogen 3.176 N/A PHE 44.A N PRO 241.A O no hydrogen 2.945 N/A LEU 46.A N PHE 44.A O no hydrogen 2.725 N/A THR 48.A N GLU 3.A OE1 no hydrogen 3.189 N/A THR 48.A N GLU 3.A OE2 no hydrogen 2.837 N/A THR 48.A OG1 GLU 3.A OE2 no hydrogen 2.710 N/A THR 48.A OG1 ARG 238.A O no hydrogen 3.373 N/A THR 49.A N GLU 3.A OE1 no hydrogen 2.794 N/A THR 49.A OG1 GLU 3.A OE1 no hydrogen 2.582 N/A LYS 50.A NZ GLY 184.A O no hydrogen 2.732 N/A VAL 52.A N TYR 265.A OH no hydrogen 2.931 N/A VAL 57.A N PHE 53.A O no hydrogen 3.237 N/A LEU 58.A N TRP 54.A O no hydrogen 2.896 N/A GLU 59.A N LYS 55.A O no hydrogen 3.115 N/A GLU 60.A N GLY 56.A O no hydrogen 3.010 N/A LEU 61.A N VAL 57.A O no hydrogen 2.964 N/A LEU 62.A N LEU 58.A O no hydrogen 2.854 N/A TRP 63.A N GLU 59.A O no hydrogen 3.384 N/A PHE 64.A N GLU 60.A O no hydrogen 3.034 N/A ILE 65.A N LEU 61.A O no hydrogen 2.952 N/A LYS 66.A N LEU 62.A O no hydrogen 2.992 N/A LYS 66.A NZ GLU 73.A OE1 no hydrogen 3.185 N/A GLY 67.A N PHE 64.A O no hydrogen 2.992 N/A SER 68.A N TRP 63.A O no hydrogen 3.451 N/A SER 68.A OG ASN 70.A O no hydrogen 3.418 N/A SER 68.A OG GLU 73.A OE1 no hydrogen 2.981 N/A THR 69.A OG1 TYR 110.A OH no hydrogen 2.582 N/A ASN 70.A N SER 68.A OG no hydrogen 2.733 N/A ALA 71.A N GLY 93.A O no hydrogen 3.048 N/A LYS 72.A N ASN 70.A OD1 no hydrogen 2.903 N/A GLU 73.A N ASN 70.A O no hydrogen 2.857 N/A LEU 74.A N ALA 71.A O no hydrogen 3.186 N/A ASP 83.A N ASP 80.A O no hydrogen 3.145 N/A SER 84.A N PHE 81.A O no hydrogen 3.473 N/A SER 84.A OG PHE 81.A O no hydrogen 3.178 N/A LEU 85.A N LEU 82.A O no hydrogen 3.119 N/A THR 89.A OG1 GLY 86.A O no hydrogen 3.491 N/A GLU 91.A N PHE 87.A O no hydrogen 3.153 N/A GLY 93.A N ARG 90.A O no hydrogen 3.147 N/A ASP 94.A N THR 89.A O no hydrogen 3.272 N/A LEU 95.A N THR 69.A O no hydrogen 3.069 N/A GLY 96.A N ASP 94.A OD1 no hydrogen 3.249 N/A GLN 102.A N VAL 98.A O no hydrogen 3.005 N/A GLN 102.A NE2 PRO 97.A O no hydrogen 3.681 N/A GLN 102.A NE2 TRP 146.A O no hydrogen 3.191 N/A TRP 103.A N TYR 99.A O no hydrogen 3.131 N/A ARG 104.A N GLY 100.A O no hydrogen 2.914 N/A ARG 104.A NE ASP 123.A OD1 no hydrogen 2.795 N/A ARG 104.A NE ASP 123.A OD2 no hydrogen 3.250 N/A ARG 104.A NH1 ILE 65.A O no hydrogen 2.711 N/A ARG 104.A NH1 ASP 253.A OD1 no hydrogen 2.875 N/A ARG 104.A NH1 ASP 253.A OD2 no hydrogen 3.446 N/A ARG 104.A NH2 ASP 123.A OD1 no hydrogen 3.435 N/A ARG 104.A NH2 ASP 123.A OD2 no hydrogen 2.664 N/A ARG 104.A NH2 ASP 253.A OD2 no hydrogen 3.383 N/A HIS 105.A N PHE 101.A O no hydrogen 2.741 N/A HIS 105.A ND1 GLN 120.A O no hydrogen 2.998 N/A PHE 106.A N VAL 122.A O no hydrogen 2.896 N/A ALA 108.A N HIS 105.A O no hydrogen 3.134 N/A TYR 110.A OH THR 69.A OG1 no hydrogen 2.582 N/A TYR 110.A OH ASP 94.A OD1 no hydrogen 2.565 N/A ARG 111.A N TYR 117.A OH no hydrogen 2.983 N/A ARG 111.A NH1 ASP 116.A O no hydrogen 2.731 N/A ASP 112.A N SER 115.A OG no hydrogen 3.076 N/A MET 113.A N ASP 94.A OD2 no hydrogen 2.867 N/A GLU 114.A N ASP 112.A OD2 no hydrogen 2.970 N/A SER 115.A N ASP 112.A O no hydrogen 3.298 N/A SER 115.A OG ASP 112.A O no hydrogen 2.834 N/A SER 115.A OG ASP 112.A OD1 no hydrogen 2.906 N/A TYR 117.A OH ASP 112.A O no hydrogen 2.702 N/A SER 118.A N ASP 116.A OD1 no hydrogen 3.031 N/A SER 118.A OG ASP 116.A OD1 no hydrogen 2.741 N/A GLN 120.A N TYR 117.A O no hydrogen 2.744 N/A VAL 122.A N PHE 106.A O no hydrogen 2.958 N/A GLN 124.A NE2 GLN 102.A O no hydrogen 2.857 N/A GLN 124.A NE2 CYS 144.A O no hydrogen 2.990 N/A LEU 125.A N TRP 103.A O no hydrogen 3.156 N/A GLN 126.A N ASP 123.A OD1 no hydrogen 2.857 N/A GLN 126.A NE2 ASP 130.A OD1 no hydrogen 2.831 N/A ARG 127.A N ASP 123.A O no hydrogen 2.698 N/A VAL 128.A N GLN 124.A O no hydrogen 2.928 N/A ILE 129.A N LEU 125.A O no hydrogen 3.121 N/A ASP 130.A N GLN 126.A O no hydrogen 2.911 N/A THR 131.A N ARG 127.A O no hydrogen 2.962 N/A THR 131.A OG1 ARG 127.A O no hydrogen 2.789 N/A ILE 132.A N VAL 128.A O no hydrogen 3.100 N/A LYS 133.A N ILE 129.A O no hydrogen 3.190 N/A THR 134.A N ASP 130.A O no hydrogen 2.779 N/A THR 134.A OG1 ASP 130.A O no hydrogen 3.092 N/A ASN 135.A N THR 131.A O no hydrogen 2.775 N/A ASP 138.A N ASN 135.A O no hydrogen 3.061 N/A ARG 140.A N ASP 138.A OD1 no hydrogen 2.883 N/A ARG 140.A NE ASP 138.A OD1 no hydrogen 2.852 N/A ARG 140.A NH2 ASP 138.A OD2 no hydrogen 2.975 N/A MET 143.A N CYS 163.A O no hydrogen 2.840 N/A CYS 144.A N GLN 124.A OE1 no hydrogen 2.878 N/A ALA 145.A N ALA 161.A O no hydrogen 2.938 N/A TRP 146.A N GLN 102.A OE1 no hydrogen 2.760 N/A TRP 146.A NE1 PRO 157.A O no hydrogen 2.836 N/A ARG 149.A N ASN 147.A OD1 no hydrogen 3.363 N/A ASP 150.A N ASN 147.A O no hydrogen 2.937 N/A LEU 151.A N PRO 148.A O no hydrogen 3.134 N/A LEU 153.A N ASP 150.A O no hydrogen 3.135 N/A CYS 159.A SG ALA 161.A O no hydrogen 3.737 N/A HIS 160.A N ALA 145.A O no hydrogen 2.867 N/A ALA 161.A N ALA 145.A O no hydrogen 2.993 N/A LEU 162.A N TYR 177.A O no hydrogen 2.808 N/A CYS 163.A N MET 143.A O no hydrogen 2.900 N/A GLN 164.A N GLN 175.A O no hydrogen 2.746 N/A PHE 165.A N ILE 141.A O no hydrogen 2.711 N/A TYR 166.A N SER 173.A O no hydrogen 2.992 N/A VAL 168.A N GLU 171.A O no hydrogen 3.213 N/A GLU 171.A N VAL 168.A O no hydrogen 2.912 N/A LEU 172.A N LYS 208.A O no hydrogen 2.858 N/A SER 173.A N TYR 166.A O no hydrogen 2.896 N/A CYS 174.A N ASP 211.A O no hydrogen 3.009 N/A GLN 175.A N GLN 164.A O no hydrogen 2.847 N/A LEU 176.A N ILE 213.A O no hydrogen 3.026 N/A TYR 177.A N LEU 162.A O no hydrogen 2.774 N/A GLN 178.A N THR 215.A O no hydrogen 2.843 N/A GLN 178.A NE2 ASN 190.A OD1 no hydrogen 2.854 N/A ARG 179.A N HIS 160.A O no hydrogen 3.010 N/A ARG 179.A NH1 ASP 150.A OD2 no hydrogen 3.408 N/A ARG 179.A NH1 PRO 158.A O no hydrogen 3.045 N/A ARG 179.A NH1 CYS 159.A O no hydrogen 2.796 N/A ARG 179.A NH2 ASP 150.A OD2 no hydrogen 2.698 N/A GLY 181.A N ASP 218.A O no hydrogen 2.856 N/A MET 183.A N HIS 220.A O no hydrogen 2.974 N/A GLY 184.A N ASP 182.A OD1 no hydrogen 2.942 N/A LEU 185.A N ASP 182.A OD1 no hydrogen 3.420 N/A VAL 187.A N ASP 182.A O no hydrogen 2.873 N/A ASN 190.A N GLY 186.A O no hydrogen 2.811 N/A ILE 191.A N VAL 187.A O no hydrogen 2.967 N/A ALA 192.A N PRO 188.A O no hydrogen 3.228 N/A SER 193.A N PHE 189.A O.A no hydrogen 2.764 N/A SER 193.A N PHE 189.A O.B no hydrogen 2.747 N/A TYR 194.A N ASN 190.A O no hydrogen 2.951 N/A ALA 195.A N ILE 191.A O no hydrogen 2.983 N/A LEU 196.A N ALA 192.A O no hydrogen 3.016 N/A LEU 197.A N SER 193.A O no hydrogen 2.954 N/A THR 198.A N TYR 194.A O no hydrogen 2.998 N/A THR 198.A OG1 TYR 194.A O no hydrogen 2.768 N/A TYR 199.A N ALA 195.A O no hydrogen 2.924 N/A TYR 199.A OH LEU 40.A O no hydrogen 2.741 N/A TYR 199.A OH GLU 43.A O no hydrogen 2.697 N/A MET 200.A N LEU 196.A O no hydrogen 2.971 N/A ILE 201.A N LEU 197.A O no hydrogen 2.936 N/A ALA 202.A N THR 198.A O no hydrogen 2.938 N/A HIS 203.A N TYR 199.A O no hydrogen 3.034 N/A ILE 204.A N MET 200.A O no hydrogen 3.194 N/A THR 205.A N ALA 202.A O no hydrogen 3.171 N/A THR 205.A OG1 ILE 201.A O no hydrogen 2.798 N/A THR 205.A OG1 ALA 202.A O no hydrogen 3.400 N/A GLY 206.A N HIS 203.A O no hydrogen 3.507 N/A LEU 207.A N ALA 202.A O no hydrogen 3.029 N/A LYS 208.A N SER 170.A O no hydrogen 2.792 N/A GLY 210.A N LEU 172.A O no hydrogen 2.535 N/A ASP 211.A N SER 173.A OG no hydrogen 3.053 N/A PHE 212.A N TYR 38.A O no hydrogen 2.773 N/A ILE 213.A N CYS 174.A O no hydrogen 2.838 N/A HIS 214.A N ALA 36.A O no hydrogen 2.864 N/A HIS 214.A NE2 GLN 178.A OE1 no hydrogen 2.680 N/A THR 215.A N LEU 176.A O no hydrogen 2.840 N/A THR 215.A OG1 GLN 175.A OE1 no hydrogen 2.774 N/A LEU 216.A N MET 34.A O no hydrogen 3.120 N/A GLY 217.A N GLN 178.A O no hydrogen 2.879 N/A ASP 218.A N ARG 179.A O no hydrogen 2.999 N/A ALA 219.A N VAL 31.A O no hydrogen 2.993 N/A HIS 220.A N GLY 181.A O no hydrogen 2.952 N/A HIS 220.A ND1 ASP 218.A O no hydrogen 2.847 N/A ILE 221.A N LEU 29.A O no hydrogen 2.862 N/A TYR 222.A OH ASP 22.A OD2 no hydrogen 2.829 N/A LEU 223.A N GLY 27.A O no hydrogen 3.183 N/A ASN 224.A ND2 GLU 274.A O no hydrogen 3.290 N/A ASN 224.A ND2 GLU 274.A OE2 no hydrogen 3.232 N/A HIS 225.A N TYR 222.A O no hydrogen 2.811 N/A HIS 225.A NE2 GLU 274.A O no hydrogen 3.111 N/A ILE 226.A N LEU 223.A O no hydrogen 3.282 N/A LEU 229.A N HIS 225.A O no hydrogen 2.912 N/A LYS 230.A N ILE 226.A O no hydrogen 2.783 N/A ILE 231.A N GLU 227.A O no hydrogen 3.155 N/A GLN 232.A N PRO 228.A O no hydrogen 2.862 N/A GLN 232.A NE2 THR 49.A OG1 no hydrogen 2.623 N/A LEU 233.A N LEU 229.A O no hydrogen 2.925 N/A GLN 234.A N ILE 231.A O no hydrogen 3.067 N/A ARG 235.A N GLN 232.A O no hydrogen 2.927 N/A ARG 235.A NH1 THR 49.A O no hydrogen 2.987 N/A ARG 235.A NH1 PRO 269.A O no hydrogen 2.827 N/A ARG 238.A N THR 48.A OG1 no hydrogen 2.876 N/A ARG 238.A NH1 ASN 266.A O no hydrogen 2.655 N/A LYS 242.A N GLU 263.A O no hydrogen 2.887 N/A ARG 244.A N GLN 261.A O no hydrogen 2.883 N/A LEU 246.A N ASP 259.A O no hydrogen 2.716 N/A ARG 247.A NE ASP 259.A OD1 no hydrogen 2.713 N/A ARG 247.A NH2 ASP 254.A O no hydrogen 2.792 N/A ARG 247.A NH2 ASP 259.A OD1 no hydrogen 3.554 N/A ARG 247.A NH2 ASP 259.A OD2 no hydrogen 2.878 N/A VAL 249.A N HIS 203.A NE2 no hydrogen 3.245 N/A ASP 254.A N LYS 251.A O no hydrogen 3.018 N/A PHE 255.A N ILE 252.A O no hydrogen 3.392 N/A LYS 256.A N ASP 259.A OD2 no hydrogen 2.691 N/A GLU 258.A N GLU 258.A OE1 no hydrogen 2.717 N/A ASP 259.A N LYS 256.A O no hydrogen 2.746 N/A PHE 260.A N ALA 257.A O no hydrogen 3.246 N/A GLN 261.A N ARG 244.A O no hydrogen 3.076 N/A GLU 263.A N LYS 242.A O no hydrogen 2.947 N/A TYR 265.A OH LEU 47.A O no hydrogen 2.586 N/A HIS 268.A N THR 48.A O no hydrogen 2.852 N/A HIS 268.A NE2 GLU 236.A O no hydrogen 2.868 N/A GLU 274.A N GLU 274.A OE1 no hydrogen 2.459 N/A