Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pg1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 6.A N GLU 2.A O no hydrogen 3.437 N/A ASP 7.A N ALA 3.A O no hydrogen 2.829 N/A LEU 8.A N ALA 4.A O no hydrogen 3.025 N/A ILE 9.A N MET 5.A O no hydrogen 2.885 N/A ALA 10.A N ARG 6.A O no hydrogen 3.204 N/A GLU 11.A N ASP 7.A O no hydrogen 3.021 N/A LEU 12.A N LEU 8.A O no hydrogen 2.862 N/A HIS 13.A N ILE 9.A O no hydrogen 2.944 N/A ALA 14.A N ALA 10.A O no hydrogen 2.997 N/A MET 15.A N GLU 11.A O no hydrogen 3.202 N/A GLN 16.A N HIS 13.A O no hydrogen 3.000 N/A SER 17.A N LEU 12.A O no hydrogen 3.085 N/A TYR 19.A N SER 17.A OG no hydrogen 3.175 N/A TYR 19.A OH ASP 91.A OD2 no hydrogen 2.795 N/A THR 20.A N VAL 37.A O no hydrogen 3.078 N/A GLN 22.A N ALA 35.A O no hydrogen 3.049 N/A ARG 23.A N ALA 35.A O no hydrogen 2.981 N/A ILE 25.A N VAL 33.A O no hydrogen 2.996 N/A SER 26.A N VAL 33.A O no hydrogen 3.077 N/A GLY 28.A N GLY 31.A O no hydrogen 3.380 N/A GLY 31.A N GLY 28.A O no hydrogen 3.440 N/A ALA 32.A N ARG 48.A O no hydrogen 3.213 N/A VAL 33.A N SER 26.A O no hydrogen 2.775 N/A CYS 34.A N ILE 46.A O no hydrogen 2.980 N/A ALA 35.A N ARG 23.A O no hydrogen 2.797 N/A GLY 36.A N VAL 44.A O no hydrogen 2.829 N/A VAL 37.A N THR 20.A O no hydrogen 2.972 N/A ASP 38.A N ILE 42.A O no hydrogen 3.103 N/A GLU 40.A N ASP 38.A OD1 no hydrogen 3.346 N/A GLY 41.A N ASP 38.A O no hydrogen 3.306 N/A VAL 44.A N GLY 36.A O no hydrogen 2.982 N/A ALA 45.A N THR 108.A O no hydrogen 2.787 N/A ILE 46.A N CYS 34.A O no hydrogen 2.726 N/A LYS 47.A N LEU 106.A O no hydrogen 2.765 N/A ARG 48.A N ALA 32.A O no hydrogen 2.931 N/A ARG 48.A NE GLU 11.A OE1 no hydrogen 2.659 N/A ARG 48.A NH2 GLU 11.A OE1 no hydrogen 3.499 N/A ARG 48.A NH2 GLU 11.A OE2 no hydrogen 2.766 N/A VAL 49.A N LEU 104.A O no hydrogen 2.714 N/A THR 52.A N VAL 59.A O no hydrogen 3.024 N/A VAL 59.A N THR 52.A O no hydrogen 2.739 N/A ASN 60.A ND2 ASN 51.A OD1 no hydrogen 2.894 N/A ASN 60.A ND2 HIS 102.A O no hydrogen 3.090 N/A ILE 61.A N PHE 50.A O no hydrogen 3.091 N/A SER 63.A N ASN 60.A O no hydrogen 3.142 N/A SER 63.A OG ASN 60.A OD1 no hydrogen 3.287 N/A SER 63.A OG HIS 102.A ND1 no hydrogen 3.113 N/A ASP 64.A N ASN 60.A O no hydrogen 3.216 N/A ASP 64.A N ILE 61.A O no hydrogen 3.124 N/A SER 65.A OG THR 324.A O no hydrogen 2.600 N/A SER 65.A OG THR 324.A OG1 no hydrogen 3.404 N/A LEU 67.A N ASP 64.A OD2 no hydrogen 3.164 N/A CYS 68.A N ASP 64.A O no hydrogen 2.809 N/A CYS 68.A SG LEU 62.A O no hydrogen 3.542 N/A LYS 69.A N SER 65.A O no hydrogen 3.052 N/A LYS 69.A NZ GLU 321.A O no hydrogen 3.298 N/A ARG 70.A N PHE 66.A O no hydrogen 2.996 N/A VAL 71.A N LEU 67.A O no hydrogen 3.053 N/A LEU 72.A N CYS 68.A O no hydrogen 2.864 N/A ARG 73.A N LYS 69.A O no hydrogen 2.988 N/A ARG 73.A NE GLU 321.A OE2 no hydrogen 3.401 N/A GLU 74.A N ARG 70.A O no hydrogen 3.186 N/A ILE 75.A N VAL 71.A O no hydrogen 2.941 N/A ARG 76.A N LEU 72.A O no hydrogen 2.797 N/A ARG 76.A NE GLU 336.A OE2 no hydrogen 2.919 N/A ARG 76.A NH1 HIS 318.A O no hydrogen 2.698 N/A ARG 76.A NH2 HIS 318.A O no hydrogen 3.249 N/A LEU 77.A N ARG 73.A O no hydrogen 3.052 N/A LEU 78.A N GLU 74.A O no hydrogen 3.159 N/A ASN 79.A N ILE 75.A O no hydrogen 2.999 N/A ASN 79.A ND2 GLU 336.A O no hydrogen 3.124 N/A ASN 79.A ND2 GLU 336.A OE1 no hydrogen 3.001 N/A HIS 80.A N LEU 77.A O no hydrogen 3.300 N/A HIS 80.A NE2 GLU 315.A O no hydrogen 2.597 N/A ASN 85.A N HIS 83.A ND1 no hydrogen 3.053 N/A ASN 85.A ND2 HIS 137.A ND1 no hydrogen 3.146 N/A ASN 85.A ND2 ILE 168.A O no hydrogen 2.932 N/A ILE 86.A N HIS 83.A O no hydrogen 3.158 N/A LEU 87.A N ILE 170.A O no hydrogen 3.040 N/A ARG 90.A N VAL 107.A O no hydrogen 2.794 N/A ARG 90.A NH2 ASP 38.A OD2 no hydrogen 3.099 N/A ASP 91.A N VAL 107.A O no hydrogen 3.281 N/A ILE 92.A N ASP 91.A OD1 no hydrogen 2.840 N/A PHE 93.A N TYR 105.A O no hydrogen 3.324 N/A HIS 95.A N LYS 103.A O no hydrogen 2.797 N/A ALA 100.A N GLU 98.A O no hydrogen 2.922 N/A MET 101.A N GLU 97.A O no hydrogen 3.107 N/A HIS 102.A N ASN 60.A OD1 no hydrogen 3.347 N/A HIS 102.A ND1 ASN 60.A OD1 no hydrogen 3.120 N/A LYS 103.A N HIS 95.A O no hydrogen 2.800 N/A LEU 104.A N VAL 49.A O no hydrogen 2.877 N/A TYR 105.A N PHE 93.A O no hydrogen 2.996 N/A TYR 105.A OH GLU 11.A OE1 no hydrogen 2.667 N/A LEU 106.A N LYS 47.A O no hydrogen 2.790 N/A VAL 107.A N ASP 91.A O no hydrogen 3.012 N/A THR 108.A N ALA 45.A O no hydrogen 3.126 N/A LEU 110.A N PRO 43.A O no hydrogen 2.935 N/A ARG 112.A NE ALA 163.A O no hydrogen 3.560 N/A ARG 112.A NH2 ASN 166.A OD1 no hydrogen 2.727 N/A THR 113.A N LEU 162.A O no hydrogen 3.238 N/A THR 113.A OG1 ASP 114.A O no hydrogen 3.458 N/A THR 113.A OG1 GLN 117.A OE1 no hydrogen 3.250 N/A ASP 114.A N THR 113.A OG1 no hydrogen 2.818 N/A LEU 115.A N ILE 160.A O no hydrogen 2.809 N/A ALA 116.A N PRO 157.A O no hydrogen 3.196 N/A GLN 117.A N ASP 114.A OD2 no hydrogen 3.076 N/A VAL 118.A N ASP 114.A O no hydrogen 3.325 N/A ILE 119.A N LEU 115.A O no hydrogen 2.836 N/A HIS 120.A N ALA 116.A O no hydrogen 3.129 N/A HIS 120.A ND1 ALA 116.A O no hydrogen 2.836 N/A ASP 121.A N VAL 118.A O no hydrogen 3.239 N/A ARG 123.A N ASP 121.A OD2 no hydrogen 3.389 N/A ARG 123.A NE ASP 121.A OD1 no hydrogen 3.277 N/A ARG 123.A NE ASP 121.A OD2 no hydrogen 2.945 N/A ARG 123.A NH2 ASP 121.A OD1 no hydrogen 2.965 N/A ILE 124.A N ASP 121.A O no hydrogen 2.961 N/A SER 127.A N HIS 130.A ND1 no hydrogen 3.220 N/A SER 127.A OG GLN 129.A OE1 no hydrogen 3.466 N/A SER 127.A OG HIS 130.A ND1 no hydrogen 3.196 N/A GLN 129.A N GLN 129.A OE1 no hydrogen 2.878 N/A HIS 130.A N SER 127.A OG no hydrogen 3.184 N/A ILE 131.A N SER 127.A O no hydrogen 2.967 N/A GLN 132.A N PRO 128.A O no hydrogen 3.052 N/A TYR 133.A N GLN 129.A O no hydrogen 3.148 N/A PHE 134.A N HIS 130.A O no hydrogen 2.921 N/A MET 135.A N ILE 131.A O no hydrogen 2.952 N/A TYR 136.A N GLN 132.A O no hydrogen 2.938 N/A TYR 136.A OH ASP 308.A OD2 no hydrogen 2.559 N/A HIS 137.A N TYR 133.A O no hydrogen 3.224 N/A ILE 138.A N PHE 134.A O no hydrogen 2.821 N/A LEU 139.A N.A MET 135.A O no hydrogen 2.880 N/A LEU 139.A N.B MET 135.A O no hydrogen 2.875 N/A LEU 140.A N TYR 136.A O no hydrogen 3.004 N/A GLY 141.A N HIS 137.A O no hydrogen 2.961 N/A LEU 142.A N ILE 138.A O no hydrogen 3.074 N/A HIS 143.A N LEU 139.A O.A no hydrogen 2.776 N/A HIS 143.A N LEU 139.A O.B no hydrogen 2.796 N/A HIS 143.A ND1 THR 291.A OG1 no hydrogen 2.885 N/A VAL 144.A N LEU 140.A O no hydrogen 2.961 N/A LEU 145.A N GLY 141.A O no hydrogen 3.068 N/A HIS 146.A N LEU 142.A O no hydrogen 2.797 N/A HIS 146.A NE2 ASP 196.A OD1 no hydrogen 2.702 N/A GLU 147.A N HIS 143.A O no hydrogen 2.825 N/A ALA 148.A N VAL 144.A O no hydrogen 3.348 N/A ALA 148.A N LEU 145.A O no hydrogen 2.939 N/A GLY 149.A N HIS 146.A O no hydrogen 2.960 N/A VAL 150.A N LEU 145.A O no hydrogen 3.038 N/A HIS 152.A N ASP 196.A OD1 no hydrogen 2.771 N/A HIS 152.A NE2 CYS 171.A O no hydrogen 2.803 N/A ARG 153.A N ASP 196.A OD2 no hydrogen 2.822 N/A ASP 154.A N HIS 152.A ND1 no hydrogen 3.029 N/A HIS 156.A N ASN 159.A OD1 no hydrogen 3.052 N/A ASN 159.A N HIS 156.A O no hydrogen 3.041 N/A ASN 159.A ND2 ASP 154.A O no hydrogen 2.726 N/A ILE 160.A N PRO 157.A O no hydrogen 3.236 N/A LEU 161.A N THR 169.A O no hydrogen 2.752 N/A LEU 162.A N THR 113.A O no hydrogen 2.963 N/A ALA 163.A N ASP 167.A O no hydrogen 2.897 N/A ASN 165.A ND2.B ASP 167.A OD2 no hydrogen 3.072 N/A ASN 166.A N ALA 163.A O no hydrogen 2.814 N/A THR 169.A N LEU 161.A O no hydrogen 2.904 N/A ILE 170.A N ASN 85.A O no hydrogen 2.808 N/A CYS 171.A N ASN 159.A O no hydrogen 3.015 N/A CYS 171.A SG ASN 159.A O no hydrogen 3.714 N/A ASN 174.A ND2 GLU 74.A O no hydrogen 2.870 N/A ARG 177.A NE GLY 216.A O no hydrogen 2.936 N/A TRP 178.A NE1 GLY 216.A O no hydrogen 2.943 N/A TYR 179.A N HIS 176.A O no hydrogen 3.316 N/A TYR 179.A OH GLU 206.A OE1 no hydrogen 2.564 N/A TYR 179.A OH GLU 206.A OE2 no hydrogen 3.345 N/A ARG 180.A N ARG 177.A O no hydrogen 3.370 N/A ARG 180.A NH1 ASP 154.A OD1 no hydrogen 2.812 N/A ARG 180.A NH2 ASP 154.A OD1 no hydrogen 3.401 N/A GLU 183.A N GLU 183.A OE2 no hydrogen 2.816 N/A LEU 184.A N ALA 181.A O no hydrogen 2.874 N/A VAL 185.A N ALA 181.A O no hydrogen 3.048 N/A MET 186.A N PRO 182.A O no hydrogen 2.882 N/A GLN 187.A N LEU 184.A O no hydrogen 2.998 N/A PHE 188.A N GLU 183.A O no hydrogen 2.941 N/A LEU 194.A N THR 192.A OG1 no hydrogen 3.318 N/A VAL 195.A N THR 192.A O no hydrogen 3.042 N/A ASP 196.A N LYS 193.A O no hydrogen 2.992 N/A MET 197.A N.A LEU 194.A O no hydrogen 3.064 N/A MET 197.A N.B LEU 194.A O no hydrogen 3.066 N/A TRP 198.A N LEU 194.A O no hydrogen 3.361 N/A SER 199.A N VAL 195.A O no hydrogen 3.229 N/A SER 199.A OG TYR 179.A O no hydrogen 2.881 N/A SER 199.A OG VAL 195.A O no hydrogen 3.306 N/A ALA 200.A N ASP 196.A O no hydrogen 2.973 N/A GLY 201.A N MET 197.A O.A no hydrogen 3.094 N/A GLY 201.A N MET 197.A O.B no hydrogen 2.974 N/A CYS 202.A N TRP 198.A O no hydrogen 3.076 N/A CYS 202.A SG TRP 198.A O no hydrogen 3.527 N/A VAL 203.A N SER 199.A O no hydrogen 2.913 N/A MET 204.A N ALA 200.A O no hydrogen 2.873 N/A ALA 205.A N GLY 201.A O no hydrogen 3.064 N/A GLU 206.A N CYS 202.A O no hydrogen 3.048 N/A MET 207.A N VAL 203.A O no hydrogen 2.999 N/A MET 207.A N MET 204.A O no hydrogen 3.115 N/A PHE 208.A N MET 204.A O no hydrogen 3.399 N/A ASN 209.A N ALA 205.A O no hydrogen 2.882 N/A ASN 209.A ND2 VAL 265.A O no hydrogen 2.826 N/A ARG 210.A N GLU 206.A O no hydrogen 2.659 N/A ARG 210.A NE ILE 119.A O no hydrogen 2.820 N/A ARG 210.A NH1 ILE 119.A O no hydrogen 3.038 N/A ARG 210.A NH1 ILE 124.A O no hydrogen 2.984 N/A ARG 210.A NH2 ILE 124.A O no hydrogen 2.851 N/A ARG 215.A NH1 ALA 212.A O no hydrogen 2.570 N/A GLY 216.A N GLN 222.A OE1 no hydrogen 2.978 N/A SER 217.A N ASN 221.A OD1 no hydrogen 2.690 N/A THR 218.A N ASN 221.A OD1 no hydrogen 3.232 N/A TYR 220.A OH TYR 249.A O no hydrogen 2.737 N/A ASN 221.A N THR 218.A OG1 no hydrogen 3.009 N/A ASN 221.A ND2 SER 217.A OG no hydrogen 2.893 N/A GLN 222.A N THR 218.A O no hydrogen 2.969 N/A GLN 222.A NE2 PHE 214.A O no hydrogen 3.117 N/A LEU 223.A N PHE 219.A O no hydrogen 3.277 N/A ASN 224.A N TYR 220.A O no hydrogen 2.846 N/A LYS 225.A N ASN 221.A O no hydrogen 3.014 N/A LYS 225.A NZ ASN 221.A O no hydrogen 3.262 N/A ILE 226.A N GLN 222.A O no hydrogen 3.081 N/A VAL 227.A N LEU 223.A O no hydrogen 2.951 N/A GLU 228.A N ASN 224.A O no hydrogen 2.931 N/A VAL 229.A N ILE 226.A O no hydrogen 3.055 N/A VAL 230.A N ILE 226.A O no hydrogen 2.842 N/A GLY 231.A N VAL 227.A O no hydrogen 2.675 N/A THR 232.A N VAL 257.A O no hydrogen 3.133 N/A THR 232.A OG1 SER 255.A OG no hydrogen 2.999 N/A THR 232.A OG1 VAL 257.A O no hydrogen 3.130 N/A GLU 236.A N GLU 236.A OE2 no hydrogen 2.946 N/A ASP 237.A N LYS 234.A O no hydrogen 2.926 N/A VAL 238.A N LYS 234.A O no hydrogen 3.151 N/A VAL 239.A N ILE 235.A O no hydrogen 3.040 N/A MET 240.A N GLU 236.A O no hydrogen 3.365 N/A PHE 241.A N.A VAL 238.A O no hydrogen 3.149 N/A PHE 241.A N.B VAL 238.A O no hydrogen 3.092 N/A SER 242.A OG VAL 238.A O no hydrogen 2.790 N/A SER 242.A OG VAL 239.A O no hydrogen 3.490 N/A SER 243.A N MET 186.A O no hydrogen 2.855 N/A SER 243.A OG MET 186.A O no hydrogen 3.356 N/A ALA 246.A N SER 243.A OG no hydrogen 3.032 N/A ARG 247.A N SER 243.A O no hydrogen 3.063 N/A ARG 247.A NE VAL 239.A O no hydrogen 3.029 N/A ARG 247.A NE SER 242.A OG no hydrogen 3.306 N/A ARG 247.A NH2 VAL 239.A O no hydrogen 3.009 N/A ASP 248.A N PRO 244.A O no hydrogen 3.243 N/A TYR 249.A N SER 245.A O no hydrogen 3.022 N/A LEU 250.A N ALA 246.A O no hydrogen 3.069 N/A ARG 251.A N ASP 248.A O no hydrogen 3.345 N/A SER 253.A N LEU 250.A O no hydrogen 3.044 N/A SER 255.A OG THR 232.A OG1 no hydrogen 2.999 N/A VAL 257.A N THR 232.A OG1 no hydrogen 2.845 N/A ARG 260.A N VAL 229.A O no hydrogen 3.089 N/A ALA 264.A N ALA 261.A O no hydrogen 3.223 N/A VAL 265.A N TRP 262.A O no hydrogen 2.911 N/A VAL 266.A N TRP 262.A O no hydrogen 2.968 N/A THR 268.A OG1 PHE 208.A O no hydrogen 3.393 N/A ALA 269.A N VAL 266.A O no hydrogen 3.140 N/A VAL 272.A N ASP 270.A OD1 no hydrogen 3.229 N/A ALA 273.A N ASP 270.A OD1 no hydrogen 3.148 N/A LEU 274.A N ASP 270.A O no hydrogen 2.965 N/A ASP 275.A N PRO 271.A O no hydrogen 3.051 N/A LEU 276.A N VAL 272.A O no hydrogen 3.225 N/A ILE 277.A N ALA 273.A O no hydrogen 2.984 N/A ALA 278.A N LEU 274.A O no hydrogen 2.902 N/A LYS 279.A N ASP 275.A O no hydrogen 3.200 N/A LYS 279.A NZ ASP 275.A OD1 no hydrogen 3.247 N/A LYS 279.A NZ ASP 275.A OD2 no hydrogen 2.682 N/A MET 280.A N LEU 276.A O no hydrogen 2.937 N/A LEU 281.A N ILE 277.A O no hydrogen 2.955 N/A ASN 284.A ND2 GLN 286.A OE1 no hydrogen 2.960 N/A GLN 286.A N ASN 284.A OD1 no hydrogen 2.929 N/A ARG 287.A N ASN 284.A O no hydrogen 3.023 N/A ARG 287.A NH2 ASP 237.A OD2 no hydrogen 2.360 N/A ARG 288.A N PRO 285.A O no hydrogen 3.135 N/A ARG 288.A NE GLU 282.A O no hydrogen 2.927 N/A ARG 288.A NH1 GLU 183.A OE1 no hydrogen 2.805 N/A ARG 288.A NH1 GLU 183.A OE2 no hydrogen 3.560 N/A ARG 288.A NH1 LEU 194.A O no hydrogen 2.925 N/A ARG 288.A NH2 GLU 183.A OE1 no hydrogen 3.535 N/A ARG 288.A NH2 GLU 183.A OE2 no hydrogen 2.833 N/A ARG 288.A NH2 GLU 282.A O no hydrogen 3.102 N/A ARG 288.A NH2 PHE 283.A O no hydrogen 3.037 N/A ILE 289.A N LYS 279.A O no hydrogen 3.254 N/A THR 291.A OG1 HIS 143.A ND1 no hydrogen 2.885 N/A GLN 293.A N SER 290.A OG no hydrogen 3.252 N/A ALA 294.A N SER 290.A O no hydrogen 2.956 N/A LEU 295.A N THR 291.A O no hydrogen 2.890 N/A ARG 296.A N GLU 292.A O no hydrogen 2.957 N/A ARG 296.A NE GLU 292.A OE2 no hydrogen 2.897 N/A HIS 297.A N ALA 294.A O no hydrogen 3.071 N/A HIS 297.A NE2 ASP 275.A OD2 no hydrogen 2.703 N/A TYR 299.A N HIS 297.A ND1 no hydrogen 2.965 N/A PHE 300.A N HIS 297.A O no hydrogen 3.010 N/A GLU 301.A N PRO 298.A O no hydrogen 2.927 N/A SER 302.A OG GLN 132.A OE1 no hydrogen 2.963 N/A LEU 303.A N PHE 300.A O no hydrogen 2.847 N/A PHE 304.A N PHE 300.A O no hydrogen 2.847 N/A ASP 305.A N TYR 136.A OH no hydrogen 3.196 N/A LEU 307.A N ASP 305.A OD2 no hydrogen 2.993 N/A ASP 308.A N ASP 305.A O no hydrogen 2.936 N/A LEU 309.A N PRO 306.A O no hydrogen 2.993 N/A THR 310.A N LEU 307.A O no hydrogen 3.159 N/A THR 310.A OG1 LEU 307.A O no hydrogen 3.440 N/A GLU 311.A N LEU 307.A O no hydrogen 2.918 N/A SER 314.A OG HIS 80.A O no hydrogen 2.661 N/A PHE 317.A N ALA 148.A O no hydrogen 2.854 N/A SER 322.A N ASP 320.A OD1 no hydrogen 3.250 N/A SER 322.A OG ASP 320.A OD1 no hydrogen 2.537 N/A THR 324.A OG1 SER 65.A OG no hydrogen 3.404 N/A TYR 327.A N ASP 325.A OD1 no hydrogen 3.361 N/A ASP 328.A N ASP 325.A O no hydrogen 3.223 N/A MET 329.A N ASP 325.A O no hydrogen 3.166 N/A HIS 330.A N VAL 326.A O no hydrogen 2.962 N/A HIS 330.A NE2 LEU 62.A O no hydrogen 2.686 N/A PHE 333.A N MET 329.A O no hydrogen 2.930 N/A THR 334.A N HIS 330.A O no hydrogen 3.057 N/A THR 334.A OG1 HIS 330.A O no hydrogen 2.906 N/A ALA 335.A N LYS 331.A O no hydrogen 2.816 N/A GLU 336.A N ILE 332.A O no hydrogen 2.644 N/A VAL 337.A N PHE 333.A O no hydrogen 2.821 N/A GLU 338.A N THR 334.A O no hydrogen 2.888 N/A ARG 339.A N ALA 335.A O no hydrogen 3.063 N/A PHE 340.A N GLU 336.A O no hydrogen 3.330 N/A ASN 341.A N VAL 337.A O no hydrogen 3.162 N/A