Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jdt_G.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 2.A NE1 GLU 48.A OE1 no hydrogen 3.051 N/A TRP 2.A NE1 GLU 48.A OE2 no hydrogen 3.132 N/A LYS 3.A N GLN 335.A O no hydrogen 3.111 N/A PHE 10.A N CYS 102.A O no hydrogen 2.983 N/A ALA 12.A N HIS 100.A O no hydrogen 2.742 N/A SER 13.A N VAL 32.A O no hydrogen 2.824 N/A ALA 15.A N SER 13.A OG no hydrogen 3.223 N/A LYS 16.A N ASN 24.A OD1 no hydrogen 2.818 N/A GLU 19.A N LYS 16.A O no hydrogen 2.995 N/A THR 20.A N GLU 19.A OE2 no hydrogen 2.531 N/A GLU 21.A N GLU 19.A OE2 no hydrogen 3.012 N/A CYS 22.A N SER 93.A O no hydrogen 3.141 N/A HIS 23.A N GLU 21.A OE2 no hydrogen 2.681 N/A ASN 24.A N GLU 21.A OE1 no hydrogen 2.896 N/A VAL 25.A N GLU 21.A O no hydrogen 3.087 N/A TRP 26.A N CYS 22.A O no hydrogen 2.958 N/A ALA 27.A N HIS 23.A O no hydrogen 2.843 N/A THR 28.A N ASN 24.A O no hydrogen 2.979 N/A THR 28.A OG1 VAL 25.A O no hydrogen 2.809 N/A HIS 29.A N VAL 25.A O no hydrogen 3.107 N/A HIS 29.A N TRP 26.A O no hydrogen 3.258 N/A ALA 30.A N TRP 26.A O no hydrogen 2.821 N/A CYS 31.A N ALA 27.A O no hydrogen 2.713 N/A VAL 32.A N CYS 11.A O no hydrogen 3.070 N/A THR 34.A N SER 13.A O no hydrogen 3.041 N/A THR 34.A OG1 ASP 14.A OD1 no hydrogen 2.550 N/A ILE 41.A N SER 128.A O no hydrogen 3.149 N/A HIS 42.A ND1 VAL 126.A O no hydrogen 2.212 N/A GLU 48.A N CYS 123.A O no hydrogen 3.120 N/A PHE 50.A N GLY 121.A O no hydrogen 2.878 N/A MET 52.A N GLY 119.A O no hydrogen 3.132 N/A TRP 53.A N ASN 51.A OD1 no hydrogen 3.120 N/A LYS 54.A N ASN 51.A O no hydrogen 2.886 N/A ASN 55.A ND2 TYR 331.A O no hydrogen 2.593 N/A MET 57.A N ASN 55.A OD1 no hydrogen 3.124 N/A VAL 58.A N ASN 55.A O no hydrogen 2.917 N/A GLN 60.A N ASN 56.A O no hydrogen 3.060 N/A MET 61.A N MET 57.A O no hydrogen 2.923 N/A GLN 62.A N VAL 58.A O no hydrogen 2.926 N/A GLU 63.A N GLU 59.A O no hydrogen 2.953 N/A ASP 64.A N GLN 60.A O no hydrogen 3.029 N/A VAL 65.A N MET 61.A O no hydrogen 2.959 N/A ILE 66.A N GLN 62.A O no hydrogen 3.001 N/A SER 67.A N GLU 63.A O no hydrogen 2.973 N/A LEU 68.A N ASP 64.A O no hydrogen 2.755 N/A TRP 69.A N VAL 65.A O no hydrogen 2.965 N/A ASP 70.A N SER 67.A O no hydrogen 3.075 N/A CYS 72.A SG CYS 22.A O no hydrogen 3.923 N/A CYS 72.A SG LEU 68.A O no hydrogen 3.291 N/A LEU 73.A N TRP 69.A O no hydrogen 3.381 N/A VAL 77.A N MET 279.A O no hydrogen 3.001 N/A LYS 78.A N ILE 85.A O no hydrogen 2.932 N/A LEU 79.A N GLN 277.A O no hydrogen 2.931 N/A THR 80.A N SER 83.A O no hydrogen 2.982 N/A THR 80.A OG1 SER 83.A O no hydrogen 3.421 N/A SER 83.A OG THR 80.A OG1 no hydrogen 3.012 N/A ILE 85.A N LYS 78.A O no hydrogen 2.943 N/A GLN 87.A N CYS 76.A O no hydrogen 3.000 N/A GLN 87.A NE2 PRO 75.A O no hydrogen 3.018 N/A CYS 89.A SG GLN 87.A O no hydrogen 3.355 N/A LYS 91.A NZ ILE 92.A O no hydrogen 3.018 N/A ASP 95.A N GLU 21.A OE2 no hydrogen 3.026 N/A ILE 99.A N ILE 135.A O no hydrogen 2.817 N/A HIS 100.A N ALA 12.A O no hydrogen 2.778 N/A TYR 101.A N THR 132.A OG1 no hydrogen 2.799 N/A TYR 101.A OH ASP 64.A OD2 no hydrogen 2.338 N/A CYS 102.A N PHE 10.A O no hydrogen 2.911 N/A THR 103.A N GLN 130.A O no hydrogen 3.312 N/A VAL 108.A N VAL 334.A O no hydrogen 2.980 N/A ILE 109.A N VAL 129.A O no hydrogen 2.970 N/A LEU 110.A N LYS 332.A O no hydrogen 2.840 N/A LYS 111.A N SER 127.A O no hydrogen 2.883 N/A CYS 112.A N LYS 330.A O no hydrogen 2.986 N/A ASN 113.A N ASN 125.A O no hydrogen 2.899 N/A ASN 113.A ND2 GLU 40.A OE2 no hydrogen 3.335 N/A ASN 113.A ND2 ASN 125.A OD1 no hydrogen 3.468 N/A ASN 113.A ND2 SER 127.A OG no hydrogen 2.806 N/A PHE 117.A N ASP 114.A O no hydrogen 3.235 N/A THR 120.A N ASN 118.A OD1 no hydrogen 3.395 N/A GLY 121.A N PHE 50.A O no hydrogen 2.889 N/A CYS 123.A N GLU 48.A O no hydrogen 2.754 N/A CYS 123.A SG ASP 114.A OD1 no hydrogen 3.253 N/A CYS 123.A SG ASN 125.A O no hydrogen 3.564 N/A ASN 125.A N ASP 114.A OD1 no hydrogen 2.901 N/A SER 127.A N LYS 111.A O no hydrogen 2.907 N/A SER 127.A OG GLU 40.A OE2 no hydrogen 2.958 N/A SER 127.A OG LYS 111.A O no hydrogen 3.478 N/A SER 128.A N ILE 41.A O no hydrogen 2.639 N/A SER 128.A OG ILE 109.A O no hydrogen 3.423 N/A VAL 129.A N ILE 109.A O no hydrogen 2.865 N/A CYS 131.A SG ASP 35.A OD2 no hydrogen 3.696 N/A THR 132.A N TYR 101.A O no hydrogen 2.796 N/A THR 132.A OG1 TYR 101.A O no hydrogen 3.468 N/A THR 132.A OG1 HIS 133.A O no hydrogen 3.350 N/A HIS 133.A N TYR 331.A OH no hydrogen 3.072 N/A HIS 133.A ND1 TYR 331.A OH no hydrogen 2.798 N/A HIS 133.A NE2 GLU 327.A OE1 no hydrogen 3.159 N/A ILE 135.A N ILE 99.A O no hydrogen 3.243 N/A LYS 136.A NZ PRO 96.A O no hydrogen 3.395 N/A VAL 138.A N LYS 136.A O no hydrogen 2.967 N/A SER 140.A OG LEU 143.A O no hydrogen 2.861 N/A THR 141.A N HIS 234.A O no hydrogen 3.051 N/A THR 141.A OG1 GLU 229.A O no hydrogen 2.804 N/A THR 141.A OG1 MET 232.A O no hydrogen 2.988 N/A LEU 143.A N THR 141.A O no hydrogen 2.551 N/A LEU 144.A N GLY 296.A O no hydrogen 2.535 N/A ASN 146.A N ASN 293.A O no hydrogen 2.892 N/A GLY 147.A N THR 295.A OG1 no hydrogen 3.180 N/A SER 148.A N GLU 327.A OE2 no hydrogen 2.546 N/A SER 148.A OG GLU 327.A OE1 no hydrogen 2.510 N/A SER 148.A OG GLU 327.A OE2 no hydrogen 2.865 N/A ALA 150.A N LEU 172.A O no hydrogen 3.140 N/A ILE 155.A N HIS 171.A O no hydrogen 3.001 N/A ARG 157.A N ILE 169.A O no hydrogen 3.002 N/A ALA 165.A N ASN 163.A OD1 no hydrogen 2.973 N/A LYS 166.A N ASN 163.A O no hydrogen 2.770 N/A LYS 166.A NZ GLU 159.A OE1 no hydrogen 3.123 N/A THR 167.A OG1 ASP 322.A OD2 no hydrogen 3.379 N/A ILE 168.A N LEU 299.A O no hydrogen 3.048 N/A ILE 169.A N ARG 157.A O no hydrogen 2.979 N/A VAL 170.A N ILE 297.A O no hydrogen 2.804 N/A HIS 171.A N ILE 155.A O no hydrogen 2.960 N/A LEU 172.A N THR 295.A O no hydrogen 3.183 N/A ASN 173.A ND2 GLU 152.A O no hydrogen 3.649 N/A VAL 176.A N ILE 294.A O no hydrogen 3.030 N/A ILE 178.A N SER 292.A O no hydrogen 2.883 N/A ASN 179.A N GLU 192.A O no hydrogen 2.933 N/A CYS 180.A N CYS 290.A O no hydrogen 2.843 N/A THR 181.A N TYR 190.A O no hydrogen 2.864 N/A THR 181.A OG1 ASN 289.A OD1 no hydrogen 3.256 N/A ARG 182.A N ILE 288.A O no hydrogen 2.834 N/A ARG 182.A NE ARG 182.A O no hydrogen 3.298 N/A ARG 182.A NE PRO 183.A O no hydrogen 3.174 N/A ARG 182.A NH1 ILE 284.A O no hydrogen 2.884 N/A TYR 190.A N THR 181.A O no hydrogen 2.947 N/A CYS 191.A N LEU 261.A O no hydrogen 2.867 N/A GLU 192.A N ASN 179.A O no hydrogen 2.791 N/A ILE 193.A N ILE 259.A O no hydrogen 2.887 N/A THR 196.A N ASN 194.A OD1 no hydrogen 3.305 N/A TRP 198.A N ASN 194.A O no hydrogen 3.243 N/A ASN 199.A N GLY 195.A O no hydrogen 2.853 N/A ASN 199.A ND2 GLY 195.A O no hydrogen 2.454 N/A LYS 200.A N THR 196.A O no hydrogen 2.987 N/A VAL 201.A N LYS 197.A O no hydrogen 2.997 N/A LEU 202.A N TRP 198.A O no hydrogen 2.914 N/A LYS 203.A N ASN 199.A O no hydrogen 2.911 N/A GLN 204.A N LYS 200.A O no hydrogen 3.059 N/A VAL 205.A N VAL 201.A O no hydrogen 2.944 N/A THR 206.A N LEU 202.A O no hydrogen 2.863 N/A THR 206.A OG1 LEU 202.A O no hydrogen 3.168 N/A THR 206.A OG1 LYS 203.A O no hydrogen 2.898 N/A GLU 207.A N LYS 203.A O no hydrogen 2.977 N/A LYS 208.A N GLN 204.A O no hydrogen 2.977 N/A LYS 208.A NZ GLU 211.A OE1 no hydrogen 3.564 N/A LYS 208.A NZ GLU 211.A OE2 no hydrogen 2.670 N/A LEU 209.A N VAL 205.A O no hydrogen 2.839 N/A LYS 210.A N THR 206.A O no hydrogen 2.906 N/A LYS 210.A NZ LYS 216.A O no hydrogen 2.829 N/A GLU 211.A N GLU 207.A O no hydrogen 2.961 N/A HIS 212.A N LEU 209.A O no hydrogen 2.684 N/A HIS 212.A ND1 LYS 208.A O no hydrogen 2.810 N/A PHE 213.A N LYS 210.A O no hydrogen 2.588 N/A ILE 219.A N GLU 311.A O no hydrogen 3.142 N/A GLN 221.A N PHE 313.A O no hydrogen 3.042 N/A GLU 229.A N GLU 229.A OE1 no hydrogen 2.856 N/A ILE 230.A N ASP 227.A O no hydrogen 2.995 N/A THR 231.A N ASP 227.A O no hydrogen 3.162 N/A THR 231.A OG1 ASP 227.A O no hydrogen 3.440 N/A HIS 233.A N CYS 244.A O no hydrogen 2.876 N/A HIS 233.A ND1 THR 141.A O no hydrogen 2.812 N/A HIS 234.A N THR 141.A OG1 no hydrogen 2.970 N/A HIS 234.A ND1 PHE 242.A O no hydrogen 2.972 N/A PHE 235.A N PHE 242.A O no hydrogen 3.095 N/A CYS 237.A N GLU 240.A O no hydrogen 2.681 N/A GLU 240.A N CYS 237.A O no hydrogen 2.668 N/A PHE 242.A N PHE 235.A O no hydrogen 2.824 N/A TYR 243.A N LYS 264.A O no hydrogen 2.866 N/A TYR 243.A OH GLU 229.A OE2 no hydrogen 2.988 N/A CYS 244.A N HIS 233.A O no hydrogen 2.829 N/A ASN 245.A N PRO 262.A O no hydrogen 3.124 N/A THR 246.A OG1 GLN 142.A OE1 no hydrogen 2.816 N/A THR 247.A N ASN 245.A OD1 no hydrogen 2.930 N/A THR 247.A OG1 ASN 245.A OD1 no hydrogen 2.715 N/A LEU 249.A N THR 246.A O no hydrogen 2.775 N/A ASN 252.A ND2 PHE 220.A O no hydrogen 3.615 N/A CYS 254.A SG ASN 199.A OD1 no hydrogen 3.643 N/A CYS 254.A SG CYS 254.A O no hydrogen 2.723 N/A CYS 254.A SG ASN 256.A OD1 no hydrogen 2.407 N/A ILE 255.A N ASN 252.A O no hydrogen 3.264 N/A LEU 261.A N CYS 191.A O no hydrogen 2.898 N/A CYS 263.A N ALA 189.A O no hydrogen 2.917 N/A CYS 263.A SG LYS 264.A O no hydrogen 3.921 N/A LYS 264.A N TYR 243.A O no hydrogen 3.022 N/A ILE 265.A N ARG 187.A O no hydrogen 3.217 N/A LYS 266.A N PHE 241.A O no hydrogen 2.897 N/A ILE 269.A N ALA 278.A O no hydrogen 2.992 N/A ASN 270.A N GLU 229.A OE2 no hydrogen 2.592 N/A ASN 270.A ND2 GLU 229.A OE1 no hydrogen 2.916 N/A MET 271.A N GLY 276.A O no hydrogen 2.905 N/A GLN 277.A N LEU 79.A O no hydrogen 3.104 N/A ALA 278.A N ILE 269.A O no hydrogen 2.828 N/A MET 279.A N VAL 77.A O no hydrogen 2.900 N/A TYR 280.A N GLN 267.A O no hydrogen 2.947 N/A TYR 280.A OH LEU 73.A O no hydrogen 2.742 N/A ILE 288.A N ARG 182.A O no hydrogen 3.101 N/A CYS 290.A N CYS 180.A O no hydrogen 2.908 N/A SER 292.A N ILE 178.A O no hydrogen 3.058 N/A ASN 293.A N ASN 146.A OD1 no hydrogen 3.191 N/A ILE 294.A N VAL 176.A O no hydrogen 2.911 N/A THR 295.A N LEU 144.A O no hydrogen 2.955 N/A THR 295.A OG1 LEU 144.A O no hydrogen 3.382 N/A GLY 296.A N LEU 144.A O no hydrogen 3.404 N/A ILE 297.A N VAL 170.A O no hydrogen 2.982 N/A LEU 298.A N GLN 142.A O no hydrogen 2.997 N/A LEU 299.A N ILE 168.A O no hydrogen 2.902 N/A THR 300.A N ARG 314.A O no hydrogen 2.676 N/A ARG 301.A NE LEU 161.A O no hydrogen 3.481 N/A ARG 301.A NH2 LEU 161.A O no hydrogen 3.209 N/A ASP 302.A N THR 312.A O no hydrogen 2.733 N/A THR 312.A OG1 ASN 310.A O no hydrogen 3.385 N/A PHE 313.A N ILE 219.A O no hydrogen 3.064 N/A ARG 314.A N THR 300.A O no hydrogen 2.896 N/A GLY 316.A N LEU 298.A O no hydrogen 2.198 N/A ASN 319.A N ASP 322.A OD2 no hydrogen 3.407 N/A LYS 321.A N ASN 319.A OD1 no hydrogen 2.282 N/A LYS 321.A NZ GLU 59.A OE1 no hydrogen 2.566 N/A ASP 322.A N ASN 319.A O no hydrogen 2.872 N/A ASN 323.A N ILE 320.A O no hydrogen 2.647 N/A ASN 323.A ND2 SER 140.A O no hydrogen 3.262 N/A TRP 324.A NE1 GLN 62.A OE1 no hydrogen 2.567 N/A ARG 325.A N LYS 321.A O no hydrogen 2.878 N/A ARG 325.A NH1 ASP 322.A OD1 no hydrogen 2.750 N/A SER 326.A N ASP 322.A O no hydrogen 2.897 N/A SER 326.A OG ASN 323.A O no hydrogen 2.275 N/A GLU 327.A N TRP 324.A O no hydrogen 2.972 N/A LEU 328.A N TRP 324.A O no hydrogen 2.856 N/A TYR 331.A N LEU 328.A O no hydrogen 3.164 N/A TYR 331.A OH HIS 133.A ND1 no hydrogen 2.798 N/A LYS 332.A N LEU 110.A O no hydrogen 2.984 N/A LYS 332.A NZ ASP 4.A OD1 no hydrogen 2.995 N/A LYS 332.A NZ ASP 4.A OD2 no hydrogen 2.613 N/A LYS 332.A NZ GLU 48.A OE2 no hydrogen 2.879 N/A LYS 332.A NZ ASN 49.A O no hydrogen 2.935 N/A VAL 334.A N VAL 108.A O no hydrogen 2.925 N/A GLN 335.A N LYS 3.A O no hydrogen 2.844 N/A ILE 336.A N GLY 106.A O no hydrogen 3.298 N/A