Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4rig_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N HIS 29.A ND1 no hydrogen 2.912 N/A LYS 2.A N ASP 109.A OD2 no hydrogen 2.794 N/A ILE 3.A N ASP 30.A O no hydrogen 2.873 N/A LEU 4.A N LEU 110.A O no hydrogen 3.053 N/A PHE 5.A N PHE 32.A O no hydrogen 2.848 N/A VAL 6.A N VAL 112.A O no hydrogen 2.751 N/A ALA 7.A N GLY 34.A O no hydrogen 2.800 N/A ALA 8.A N THR 13.A OG1 no hydrogen 3.073 N/A THR 13.A N SER 10.A O no hydrogen 3.007 N/A THR 13.A OG1 SER 10.A O no hydrogen 2.689 N/A PHE 15.A N PRO 11.A O no hydrogen 2.985 N/A ALA 16.A N ALA 12.A O no hydrogen 2.883 N/A LEU 17.A N VAL 14.A O no hydrogen 3.139 N/A ALA 18.A N PHE 15.A O no hydrogen 3.231 N/A ALA 21.A N LEU 17.A O no hydrogen 3.031 N/A THR 22.A N ALA 18.A O no hydrogen 2.790 N/A THR 22.A OG1 ALA 18.A O no hydrogen 2.986 N/A THR 22.A OG1 PRO 19.A O no hydrogen 3.053 N/A ALA 23.A N PRO 19.A O no hydrogen 2.897 N/A ALA 24.A N LEU 20.A O no hydrogen 2.927 N/A ARG 25.A N ALA 21.A O no hydrogen 2.953 N/A ASN 26.A N THR 22.A O no hydrogen 2.811 N/A ALA 27.A N ALA 23.A O no hydrogen 3.071 N/A ALA 27.A N ALA 24.A O no hydrogen 3.156 N/A GLY 28.A N ARG 25.A O no hydrogen 2.993 N/A HIS 29.A N ALA 24.A O no hydrogen 3.096 N/A HIS 29.A NE2 GLU 340.A OE2 no hydrogen 2.675 N/A ASP 30.A N MET 1.A O no hydrogen 2.901 N/A PHE 32.A N ILE 3.A O no hydrogen 3.189 N/A MET 33.A N PRO 49.A O no hydrogen 2.976 N/A GLY 34.A N PHE 5.A O no hydrogen 2.779 N/A ALA 35.A N VAL 51.A O no hydrogen 3.157 N/A VAL 36.A N ALA 8.A O no hydrogen 3.288 N/A GLU 37.A N THR 54.A O no hydrogen 2.885 N/A MET 39.A N VAL 36.A O no hydrogen 2.770 N/A VAL 40.A N GLU 37.A O no hydrogen 3.060 N/A ILE 43.A N MET 39.A O no hydrogen 3.019 N/A ALA 44.A N VAL 40.A O no hydrogen 2.984 N/A SER 45.A N PRO 41.A O no hydrogen 2.835 N/A SER 45.A OG TYR 42.A O no hydrogen 2.777 N/A ALA 46.A N TYR 42.A O no hydrogen 3.276 N/A ALA 46.A N ILE 43.A O no hydrogen 2.989 N/A GLY 47.A N ALA 44.A O no hydrogen 2.935 N/A ILE 48.A N ILE 43.A O no hydrogen 3.485 N/A VAL 51.A N MET 33.A O no hydrogen 3.019 N/A THR 53.A N ALA 35.A O no hydrogen 2.872 N/A LEU 56.A N THR 54.A OG1 no hydrogen 3.059 N/A HIS 60.A N PRO 57.A O no hydrogen 3.009 N/A ILE 62.A N ILE 58.A O no hydrogen 2.933 N/A THR 63.A N ARG 59.A O no hydrogen 3.015 N/A THR 63.A OG1 ARG 59.A O no hydrogen 2.664 N/A ASP 65.A N ASN 69.A O no hydrogen 2.841 N/A ARG 66.A NE GLU 151.A OE1 no hydrogen 3.051 N/A ARG 66.A NH1 GLU 155.A OE2 no hydrogen 2.641 N/A ARG 66.A NH2 GLU 151.A O no hydrogen 2.954 N/A ARG 66.A NH2 GLU 155.A OE1 no hydrogen 2.869 N/A ARG 66.A NH2 GLU 155.A OE2 no hydrogen 3.372 N/A GLY 68.A N ASP 65.A O no hydrogen 2.914 N/A ASN 69.A N ASP 65.A OD1 no hydrogen 2.874 N/A VAL 71.A N THR 63.A O no hydrogen 2.871 N/A ARG 72.A NH1 MET 73.A O no hydrogen 3.040 N/A ARG 72.A NH1 GLU 79.A OE1 no hydrogen 3.280 N/A ARG 72.A NH2 GLU 79.A OE2 no hydrogen 3.096 N/A GLU 75.A N GLU 79.A OE1 no hydrogen 2.588 N/A GLU 78.A N GLU 78.A OE1 no hydrogen 2.916 N/A GLU 79.A N THR 76.A OG1 no hydrogen 3.044 N/A GLU 80.A N THR 76.A O no hydrogen 2.811 N/A LEU 81.A N PRO 77.A O no hydrogen 3.247 N/A ASP 82.A N GLU 78.A O no hydrogen 3.328 N/A PHE 83.A N GLU 79.A O no hydrogen 2.762 N/A ALA 84.A N GLU 80.A O no hydrogen 2.953 N/A GLY 85.A N LEU 81.A O no hydrogen 3.129 N/A HIS 86.A N ASP 82.A O no hydrogen 3.194 N/A HIS 86.A ND1 GLU 151.A OE2 no hydrogen 2.662 N/A TRP 87.A N PHE 83.A O no hydrogen 2.928 N/A PHE 88.A N ALA 84.A O no hydrogen 2.898 N/A GLY 89.A N GLY 85.A O no hydrogen 2.929 N/A ARG 90.A N HIS 86.A O no hydrogen 2.841 N/A ARG 90.A NE PHE 61.A O no hydrogen 2.881 N/A ARG 90.A NH2 PHE 61.A O no hydrogen 2.834 N/A MET 91.A N TRP 87.A O no hydrogen 2.906 N/A ALA 92.A N PHE 88.A O no hydrogen 2.961 N/A ALA 93.A N GLY 89.A O no hydrogen 2.991 N/A GLY 94.A N ARG 90.A O no hydrogen 2.918 N/A SER 95.A N ALA 92.A O no hydrogen 2.980 N/A SER 95.A OG MET 91.A O no hydrogen 2.679 N/A MET 96.A N ALA 93.A O no hydrogen 3.468 N/A LEU 99.A N SER 95.A O no hydrogen 3.075 N/A ARG 100.A N MET 96.A O no hydrogen 2.821 N/A ARG 100.A NE GLU 126.A OE1 no hydrogen 2.910 N/A ARG 100.A NE GLU 126.A OE2 no hydrogen 2.979 N/A ARG 100.A NH2 GLU 126.A OE2 no hydrogen 3.073 N/A GLU 101.A N ASP 97.A O no hydrogen 3.144 N/A VAL 102.A N ALA 98.A O no hydrogen 2.945 N/A THR 103.A N LEU 99.A O no hydrogen 3.017 N/A THR 103.A OG1 LEU 99.A O no hydrogen 2.702 N/A THR 103.A OG1 ARG 100.A O no hydrogen 3.417 N/A ALA 104.A N ARG 100.A O no hydrogen 2.980 N/A ASN 105.A N VAL 102.A O no hydrogen 3.070 N/A ASN 105.A ND2 GLU 101.A OE1 no hydrogen 3.447 N/A TRP 106.A N VAL 102.A O no hydrogen 2.934 N/A ARG 107.A NH2 LEU 127.A O no hydrogen 2.720 N/A ASP 109.A N LYS 2.A O no hydrogen 2.741 N/A LEU 110.A N LYS 2.A O no hydrogen 3.342 N/A VAL 111.A N PRO 130.A O no hydrogen 3.142 N/A VAL 112.A N LEU 4.A O no hydrogen 2.847 N/A GLY 113.A N VAL 132.A O no hydrogen 2.788 N/A GLY 114.A N VAL 6.A O no hydrogen 3.258 N/A SER 117.A N GLY 114.A O no hydrogen 3.104 N/A SER 117.A OG VAL 6.A O no hydrogen 2.770 N/A ALA 120.A N SER 117.A O no hydrogen 3.001 N/A LEU 122.A N PHE 118.A O no hydrogen 3.191 N/A ILE 123.A N ALA 119.A O no hydrogen 2.862 N/A ALA 124.A N ALA 120.A O no hydrogen 3.007 N/A ALA 125.A N ALA 121.A O no hydrogen 3.014 N/A GLU 126.A N LEU 122.A O no hydrogen 2.924 N/A LEU 127.A N ILE 123.A O no hydrogen 2.903 N/A GLY 128.A N ALA 124.A O no hydrogen 2.846 N/A VAL 129.A N ALA 124.A O no hydrogen 3.118 N/A VAL 132.A N VAL 111.A O no hydrogen 2.808 N/A ARG 133.A N LEU 169.A O no hydrogen 2.972 N/A ARG 133.A NE SER 115.A O no hydrogen 2.982 N/A ARG 133.A NH1 ASP 145.A OD2 no hydrogen 2.953 N/A ARG 133.A NH2 SER 115.A O no hydrogen 2.787 N/A ARG 133.A NH2 ASP 145.A OD1 no hydrogen 2.800 N/A ARG 133.A NH2 ASP 145.A OD2 no hydrogen 3.550 N/A GLN 134.A N GLY 113.A O no hydrogen 2.744 N/A GLN 134.A NE2 ALA 16.A O no hydrogen 2.896 N/A GLN 134.A NE2 ALA 135.A O no hydrogen 3.096 N/A ALA 135.A N VAL 171.A O no hydrogen 2.835 N/A TRP 136.A N SER 115.A OG no hydrogen 2.997 N/A GLY 139.A N ASP 137.A OD1 no hydrogen 2.753 N/A ARG 143.A N ASP 140.A O no hydrogen 3.228 N/A ARG 143.A NH1 ASP 140.A O no hydrogen 2.799 N/A ASP 145.A N TRP 142.A O no hydrogen 2.992 N/A ALA 148.A N THR 144.A O no hydrogen 3.033 N/A SER 149.A N ASP 145.A O no hydrogen 2.795 N/A SER 149.A OG ASP 145.A O no hydrogen 3.039 N/A ASP 150.A N PRO 146.A O no hydrogen 3.151 N/A GLU 151.A N ALA 147.A O no hydrogen 2.917 N/A LEU 152.A N ALA 148.A O no hydrogen 2.834 N/A ARG 153.A N ASP 150.A O no hydrogen 3.261 N/A GLU 155.A N GLU 155.A OE1 no hydrogen 2.872 N/A LEU 156.A N LEU 152.A O no hydrogen 2.868 N/A ARG 157.A N ARG 153.A O no hydrogen 2.879 N/A ALA 158.A N PRO 154.A O no hydrogen 3.124 N/A LEU 159.A N LEU 156.A O no hydrogen 3.094 N/A GLY 160.A N ARG 157.A O no hydrogen 2.928 N/A LEU 161.A N LEU 156.A O no hydrogen 2.821 N/A LEU 164.A N SER 149.A OG no hydrogen 3.385 N/A ALA 168.A N TYR 131.A O no hydrogen 2.757 N/A VAL 171.A N ARG 133.A O no hydrogen 2.852 N/A ASP 172.A N GLN 187.A O no hydrogen 2.911 N/A CYS 174.A N ASP 172.A OD1 no hydrogen 3.062 N/A CYS 174.A SG THR 138.A O no hydrogen 3.703 N/A CYS 174.A SG PRO 175.A O no hydrogen 3.508 N/A SER 177.A N GLU 325.A OE1 no hydrogen 2.907 N/A SER 177.A OG GLU 325.A OE1 no hydrogen 3.454 N/A SER 177.A OG GLU 325.A OE2 no hydrogen 2.395 N/A LEU 178.A N PRO 175.A O no hydrogen 2.868 N/A ARG 179.A N PRO 176.A O no hydrogen 3.132 N/A ARG 179.A NE ASP 172.A OD2 no hydrogen 2.641 N/A ARG 179.A NH2 ASP 172.A OD2 no hydrogen 3.003 N/A ARG 179.A NH2 PRO 184.A O no hydrogen 2.896 N/A ALA 183.A N PRO 180.A O no hydrogen 3.053 N/A GLN 187.A N PHE 170.A O no hydrogen 2.851 N/A GLN 187.A NE2 MET 188.A O no hydrogen 2.953 N/A MET 189.A N ASP 172.A O no hydrogen 2.937 N/A ARG 190.A N PRO 330.A O no hydrogen 2.708 N/A TRP 191.A NE1 PHE 15.A O no hydrogen 3.116 N/A ASN 195.A ND2 GLY 196.A O no hydrogen 3.158 N/A ASN 195.A ND2 ASP 241.A OD1 no hydrogen 2.963 N/A GLN 197.A NE2 ASN 195.A O no hydrogen 3.492 N/A GLN 197.A NE2 ASP 241.A OD1 no hydrogen 3.003 N/A TRP 203.A NE1 GLU 201.A OE2 no hydrogen 2.900 N/A MET 204.A N GLU 201.A O no hydrogen 2.905 N/A TYR 205.A N PRO 202.A O no hydrogen 3.323 N/A THR 206.A N PRO 202.A O no hydrogen 3.057 N/A THR 206.A OG1 PRO 202.A O no hydrogen 2.622 N/A LYS 207.A NZ ASP 248.A OD1 no hydrogen 3.432 N/A LYS 207.A NZ ASP 248.A OD2 no hydrogen 2.786 N/A ARG 212.A N ASP 248.A OD2 no hydrogen 2.979 N/A ARG 212.A NE GLU 226.A OE2 no hydrogen 2.803 N/A ARG 212.A NH1 TRP 203.A O no hydrogen 2.905 N/A ARG 212.A NH1 THR 246.A OG1 no hydrogen 2.886 N/A ARG 212.A NH2 TRP 203.A O no hydrogen 3.035 N/A ARG 212.A NH2 THR 206.A O no hydrogen 3.189 N/A ARG 212.A NH2 GLU 226.A OE1 no hydrogen 3.292 N/A ARG 212.A NH2 GLU 226.A OE2 no hydrogen 3.004 N/A ILE 213.A N GLU 226.A O no hydrogen 2.825 N/A LEU 214.A N VAL 249.A O no hydrogen 3.040 N/A VAL 215.A N VAL 228.A O no hydrogen 2.897 N/A THR 216.A N VAL 251.A O no hydrogen 2.982 N/A THR 216.A OG1 VAL 251.A O no hydrogen 3.423 N/A LEU 223.A N MET 220.A O no hydrogen 3.158 N/A GLU 226.A N PRO 211.A O no hydrogen 2.797 N/A VAL 228.A N ILE 213.A O no hydrogen 2.876 N/A ILE 229.A N ARG 234.A O no hydrogen 2.887 N/A ALA 230.A N VAL 215.A O no hydrogen 2.925 N/A THR 231.A N GLY 236.A O no hydrogen 2.951 N/A GLY 236.A N ILE 229.A O no hydrogen 3.076 N/A ASP 241.A N ASN 195.A OD1 no hydrogen 2.900 N/A VAL 242.A N PRO 239.A O no hydrogen 3.183 N/A VAL 243.A N PRO 239.A O no hydrogen 2.916 N/A VAL 244.A N LEU 240.A O no hydrogen 2.776 N/A THR 246.A N VAL 243.A O no hydrogen 2.825 N/A THR 246.A OG1 VAL 243.A O no hydrogen 2.572 N/A CYS 247.A N VAL 244.A O no hydrogen 2.895 N/A CYS 247.A SG VAL 243.A O no hydrogen 3.437 N/A ASP 248.A N ARG 212.A O no hydrogen 2.771 N/A VAL 249.A N ARG 212.A O no hydrogen 3.392 N/A VAL 250.A N PRO 268.A O no hydrogen 3.095 N/A VAL 251.A N LEU 214.A O no hydrogen 2.761 N/A HIS 252.A N LEU 270.A O no hydrogen 3.063 N/A HIS 252.A NE2 GLN 269.A OE1 no hydrogen 2.502 N/A ALA 254.A N HIS 252.A ND1 no hydrogen 2.776 N/A GLY 255.A N HIS 253.A ND1 no hydrogen 3.048 N/A THR 261.A N VAL 257.A O no hydrogen 2.992 N/A THR 261.A OG1 VAL 257.A O no hydrogen 3.033 N/A ALA 262.A N THR 258.A O no hydrogen 2.856 N/A MET 263.A N ALA 259.A O no hydrogen 2.804 N/A ASN 264.A N LEU 260.A O no hydrogen 2.816 N/A ALA 265.A N THR 261.A O no hydrogen 3.244 N/A GLY 266.A N MET 263.A O no hydrogen 3.004 N/A VAL 267.A N ALA 262.A O no hydrogen 2.997 N/A GLN 269.A N ALA 290.A O no hydrogen 3.265 N/A LEU 270.A N VAL 250.A O no hydrogen 2.849 N/A ILE 271.A N ILE 292.A O no hydrogen 2.857 N/A VAL 272.A N HIS 252.A O no hydrogen 2.985 N/A GLN 274.A N ASN 277.A O no hydrogen 2.948 N/A ASN 277.A N GLN 274.A O no hydrogen 3.448 N/A LEU 283.A N VAL 279.A O no hydrogen 3.151 N/A ARG 284.A N GLU 280.A O no hydrogen 3.155 N/A ARG 284.A NE GLU 280.A OE2 no hydrogen 2.987 N/A ARG 284.A NH1 ASP 140.A OD1 no hydrogen 2.710 N/A ARG 284.A NH2 ASP 140.A OD1 no hydrogen 3.542 N/A ARG 284.A NH2 ASP 140.A OD2 no hydrogen 2.935 N/A ILE 285.A N ALA 281.A O no hydrogen 3.251 N/A SER 286.A N GLY 282.A O no hydrogen 3.050 N/A ASP 287.A N LEU 283.A O no hydrogen 2.865 N/A PHE 288.A N ARG 284.A O no hydrogen 3.021 N/A GLY 289.A N ILE 285.A O no hydrogen 3.162 N/A GLY 289.A N SER 286.A O no hydrogen 3.079 N/A ALA 290.A N ILE 285.A O no hydrogen 3.146 N/A ILE 292.A N GLN 269.A O no hydrogen 3.009 N/A VAL 294.A N ILE 271.A O no hydrogen 3.023 N/A THR 298.A N ASP 295.A O no hydrogen 3.267 N/A ALA 301.A N THR 298.A O no hydrogen 3.193 N/A LYS 304.A N GLU 300.A O no hydrogen 2.908 N/A ALA 305.A N ALA 301.A O no hydrogen 2.998 N/A CYS 306.A N VAL 302.A O no hydrogen 2.931 N/A CYS 306.A SG VAL 302.A O no hydrogen 3.394 N/A GLY 307.A N GLU 303.A O no hydrogen 3.103 N/A GLU 308.A N LYS 304.A O no hydrogen 3.034 N/A LEU 309.A N ALA 305.A O no hydrogen 2.822 N/A ILE 310.A N CYS 306.A O no hydrogen 2.967 N/A GLY 311.A N GLY 307.A O no hydrogen 2.953 N/A ASN 312.A N GLU 308.A O no hydrogen 2.912 N/A ASN 312.A ND2 GLU 308.A OE1 no hydrogen 3.002 N/A SER 314.A N ASN 312.A OD1 no hydrogen 3.197 N/A SER 314.A OG ASN 312.A OD1 no hydrogen 3.496 N/A GLU 317.A N PRO 313.A O no hydrogen 2.927 N/A ARG 318.A N SER 314.A O no hydrogen 2.891 N/A ARG 318.A NE GLU 321.A OE1 no hydrogen 2.745 N/A ARG 318.A NH2 GLU 321.A OE1 no hydrogen 3.127 N/A ALA 319.A N TYR 315.A O no hydrogen 2.923 N/A ARG 320.A N ALA 316.A O no hydrogen 2.776 N/A GLU 321.A N GLU 317.A O no hydrogen 3.115 N/A LEU 322.A N ARG 318.A O no hydrogen 3.108 N/A SER 323.A N ALA 319.A O no hydrogen 2.817 N/A SER 323.A OG ASN 264.A O no hydrogen 2.725 N/A ALA 324.A N ARG 320.A O no hydrogen 2.836 N/A GLU 325.A N GLU 321.A O no hydrogen 3.022 N/A ILE 326.A N LEU 322.A O no hydrogen 2.994 N/A ALA 327.A N SER 323.A O no hydrogen 3.096 N/A ALA 328.A N ALA 324.A O no hydrogen 3.258 N/A ALA 328.A N GLU 325.A O no hydrogen 3.297 N/A LEU 329.A N ILE 326.A O no hydrogen 3.058 N/A LEU 331.A N GLU 334.A OE2 no hydrogen 2.974 N/A VAL 335.A N LEU 331.A O no hydrogen 2.985 N/A VAL 336.A N PRO 332.A O no hydrogen 3.042 N/A GLY 337.A N GLU 334.A O no hydrogen 3.115 N/A ALA 338.A N VAL 335.A O no hydrogen 2.929 N/A LEU 339.A N VAL 335.A O no hydrogen 3.184 N/A GLU 340.A N VAL 336.A O no hydrogen 2.887 N/A GLY 341.A N GLY 337.A O no hydrogen 2.979 N/A LEU 342.A N LEU 339.A O no hydrogen 3.136 N/A VAL 343.A N GLU 340.A O no hydrogen 3.143 N/A GLU 344.A N GLU 340.A O no hydrogen 3.078 N/A