Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pgh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 5.A N ALA 2.A O no hydrogen 3.357 N/A GLU 7.A N VAL 3.A O no hydrogen 3.344 N/A CYS 9.A N ASP 5.A O no hydrogen 3.210 N/A MET 10.A N GLU 6.A O no hydrogen 2.915 N/A TYR 11.A N GLU 7.A O no hydrogen 2.815 N/A ALA 12.A N ALA 8.A O no hydrogen 2.899 N/A MET 13.A N CYS 9.A O no hydrogen 3.132 N/A GLN 14.A N MET 10.A O no hydrogen 3.013 N/A LEU 15.A N TYR 11.A O no hydrogen 2.790 N/A ALA 16.A N ALA 12.A O no hydrogen 2.883 N/A SER 17.A N GLN 14.A O no hydrogen 3.273 N/A SER 17.A OG MET 13.A O no hydrogen 3.143 N/A SER 18.A N LEU 15.A O no hydrogen 3.278 N/A SER 18.A OG LEU 15.A O no hydrogen 2.510 N/A ILE 20.A N SER 17.A O no hydrogen 3.307 N/A MET 23.A N SER 19.A O no hydrogen 3.305 N/A THR 24.A N ILE 20.A O no hydrogen 2.815 N/A THR 24.A OG1 ILE 20.A O no hydrogen 2.523 N/A LEU 25.A N LEU 21.A O no hydrogen 3.009 N/A LYS 26.A N PRO 22.A O no hydrogen 3.124 N/A LYS 26.A NZ GLU 30.A OE2 no hydrogen 2.951 N/A ASN 27.A N MET 23.A O no hydrogen 3.092 N/A ASN 27.A ND2 MET 23.A O no hydrogen 2.912 N/A ALA 28.A N THR 24.A O no hydrogen 2.982 N/A LEU 29.A N LEU 25.A O no hydrogen 3.045 N/A GLU 30.A N LYS 26.A O no hydrogen 3.099 N/A LEU 31.A N ASN 27.A O no hydrogen 2.860 N/A GLY 32.A N LEU 29.A O no hydrogen 3.081 N/A LEU 33.A N ALA 28.A O no hydrogen 2.892 N/A VAL 36.A N GLY 32.A O no hydrogen 3.332 N/A LEU 37.A N LEU 33.A O no hydrogen 3.451 N/A GLN 38.A N LEU 34.A O no hydrogen 2.987 N/A LYS 39.A N GLU 35.A O no hydrogen 3.033 N/A LYS 43.A N ASP 40.A O no hydrogen 3.283 N/A LEU 45.A N TYR 95.A O no hydrogen 2.826 N/A ALA 46.A N GLU 49.A OE1 no hydrogen 3.062 N/A GLU 48.A N GLU 48.A OE1 no hydrogen 2.652 N/A VAL 50.A N ALA 46.A O no hydrogen 2.941 N/A VAL 51.A N ALA 47.A O no hydrogen 3.078 N/A ALA 52.A N GLU 48.A O no hydrogen 3.153 N/A ARG 53.A N VAL 50.A O no hydrogen 3.227 N/A LEU 54.A N VAL 51.A O no hydrogen 3.231 N/A ALA 62.A N ASN 60.A OD1 no hydrogen 2.852 N/A MET 66.A N ALA 62.A O no hydrogen 3.414 N/A VAL 67.A N ALA 63.A O no hydrogen 3.023 N/A ASP 68.A N ALA 64.A O no hydrogen 2.910 N/A ARG 69.A N ASP 65.A O no hydrogen 3.106 N/A MET 70.A N MET 66.A O no hydrogen 3.114 N/A LEU 71.A N VAL 67.A O no hydrogen 2.940 N/A ARG 72.A N ASP 68.A O no hydrogen 3.041 N/A LEU 73.A N ARG 69.A O no hydrogen 3.345 N/A LEU 74.A N MET 70.A O no hydrogen 3.074 N/A ALA 75.A N LEU 71.A O no hydrogen 2.727 N/A SER 76.A N LEU 73.A O no hydrogen 3.192 N/A SER 76.A OG LEU 73.A O no hydrogen 2.437 N/A TYR 77.A N LEU 74.A O no hydrogen 3.134 N/A ASP 78.A N ALA 75.A O no hydrogen 3.128 N/A VAL 79.A N LEU 74.A O no hydrogen 2.853 N/A LYS 81.A N SER 96.A O no hydrogen 2.871 N/A GLN 83.A N ARG 94.A O no hydrogen 2.657 N/A GLU 85.A N GLU 92.A O no hydrogen 2.920 N/A LYS 87.A N LYS 90.A O no hydrogen 3.277 N/A LYS 90.A N LYS 87.A O no hydrogen 3.041 N/A GLU 92.A N GLU 85.A O no hydrogen 3.062 N/A ARG 93.A NE ASP 68.A OD1 no hydrogen 2.935 N/A ARG 93.A NE ASP 68.A OD2 no hydrogen 3.088 N/A ARG 93.A NH2 ASP 68.A OD1 no hydrogen 3.201 N/A ARG 93.A NH2 ASP 68.A OD2 no hydrogen 2.713 N/A ARG 94.A N GLN 83.A O no hydrogen 2.628 N/A ARG 94.A NH1 GLU 85.A OE1 no hydrogen 3.264 N/A TYR 95.A N LEU 45.A O no hydrogen 2.719 N/A TYR 95.A OH ASP 68.A OD1 no hydrogen 3.330 N/A SER 96.A N LYS 81.A O no hydrogen 2.927 N/A GLY 101.A N ALA 98.A O no hydrogen 2.747 N/A TRP 103.A N VAL 100.A O no hydrogen 2.872 N/A LEU 104.A N GLY 101.A O no hydrogen 3.180 N/A THR 105.A OG1 GLY 101.A O no hydrogen 2.744 N/A THR 105.A OG1 LYS 102.A O no hydrogen 3.564 N/A VAL 111.A N ASN 107.A OD1 no hydrogen 3.310 N/A MET 113.A N TRP 103.A O no hydrogen 2.828 N/A ALA 114.A N SER 112.A OG no hydrogen 3.214 N/A ALA 117.A N MET 113.A O no hydrogen 3.099 N/A LEU 118.A N ALA 114.A O no hydrogen 2.877 N/A MET 119.A N ALA 115.A O no hydrogen 2.909 N/A ASN 120.A N LEU 116.A O no hydrogen 2.892 N/A GLN 121.A N ALA 117.A O no hydrogen 3.246 N/A GLN 121.A NE2 ALA 117.A O no hydrogen 2.536 N/A ASP 122.A N MET 119.A O no hydrogen 3.040 N/A VAL 124.A N ASP 122.A OD1 no hydrogen 2.871 N/A MET 126.A N ASP 122.A O no hydrogen 2.929 N/A GLU 127.A N LYS 123.A O no hydrogen 3.223 N/A SER 128.A N LEU 125.A O no hydrogen 3.306 N/A SER 128.A OG ALA 313.A O no hydrogen 3.168 N/A TRP 129.A N MET 126.A O no hydrogen 3.358 N/A TYR 130.A N GLU 127.A O no hydrogen 3.292 N/A TYR 131.A N SER 128.A O no hydrogen 3.242 N/A ALA 135.A N TYR 131.A O no hydrogen 2.839 N/A VAL 136.A N LEU 132.A O no hydrogen 2.880 N/A LEU 137.A N LYS 133.A O no hydrogen 3.110 N/A ASP 138.A N ASP 134.A O no hydrogen 2.688 N/A LYS 145.A N ILE 141.A O no hydrogen 2.905 N/A ALA 146.A N PHE 143.A O no hydrogen 3.049 N/A TYR 147.A N PHE 143.A O no hydrogen 3.111 N/A TYR 147.A OH VAL 124.A O no hydrogen 2.994 N/A GLY 148.A N ASN 144.A O no hydrogen 2.936 N/A MET 149.A N TYR 147.A O no hydrogen 2.689 N/A TYR 154.A N ALA 151.A O no hydrogen 3.258 N/A THR 157.A N TYR 154.A O no hydrogen 2.902 N/A ARG 160.A N ASP 158.A OD1 no hydrogen 2.854 N/A ARG 160.A NH1 ASP 122.A OD2 no hydrogen 3.074 N/A ARG 160.A NH2 ASP 122.A OD1 no hydrogen 3.530 N/A ASN 162.A N ASP 158.A O no hydrogen 3.269 N/A ARG 163.A N PRO 159.A O no hydrogen 3.430 N/A VAL 164.A N ARG 160.A O no hydrogen 3.155 N/A PHE 165.A N PHE 161.A O no hydrogen 2.652 N/A ASN 166.A N ASN 162.A O no hydrogen 2.975 N/A ASN 166.A ND2 ASN 162.A O no hydrogen 2.288 N/A GLU 167.A N ARG 163.A O no hydrogen 2.976 N/A GLY 168.A N VAL 164.A O no hydrogen 3.144 N/A MET 169.A N PHE 165.A O no hydrogen 3.075 N/A LYS 170.A N ASN 166.A O no hydrogen 3.125 N/A ASN 171.A N GLU 167.A O no hydrogen 3.416 N/A HIS 172.A N GLY 168.A O no hydrogen 3.394 N/A SER 173.A N MET 169.A O no hydrogen 3.371 N/A VAL 174.A N LYS 170.A O no hydrogen 3.003 N/A ILE 175.A N ASN 171.A O no hydrogen 3.245 N/A ILE 176.A N HIS 172.A O no hydrogen 3.186 N/A THR 177.A N SER 173.A O no hydrogen 2.863 N/A THR 177.A OG1 SER 173.A O no hydrogen 2.358 N/A LYS 178.A N VAL 174.A O no hydrogen 2.862 N/A LYS 179.A N ILE 175.A O no hydrogen 3.231 N/A LEU 180.A N ILE 176.A O no hydrogen 2.770 N/A LEU 181.A N THR 177.A O no hydrogen 3.007 N/A GLU 182.A N LYS 179.A O no hydrogen 3.229 N/A PHE 183.A N LYS 179.A O no hydrogen 2.996 N/A TYR 184.A N LEU 180.A O no hydrogen 3.049 N/A TYR 184.A OH GLU 351.A OE1 no hydrogen 2.383 N/A SER 190.A N ASP 188.A OD1 no hydrogen 3.083 N/A VAL 191.A N ASP 188.A O no hydrogen 3.289 N/A SER 192.A N ASP 250.A OD1 no hydrogen 3.208 N/A SER 192.A N ASP 250.A OD2 no hydrogen 2.983 N/A SER 192.A OG ASP 250.A OD1 no hydrogen 2.328 N/A THR 193.A N ASP 250.A OD1 no hydrogen 2.580 N/A LEU 194.A N ARG 216.A O no hydrogen 2.941 N/A VAL 195.A N ALA 251.A O no hydrogen 2.802 N/A ASP 196.A N VAL 218.A O no hydrogen 2.854 N/A VAL 197.A N LEU 253.A O no hydrogen 3.281 N/A GLY 199.A N PHE 220.A O no hydrogen 2.966 N/A GLY 200.A N ASP 221.A OD2 no hydrogen 2.983 N/A GLY 202.A N GLY 199.A O no hydrogen 3.045 N/A HIS 206.A N GLY 202.A O no hydrogen 2.852 N/A ALA 207.A N ALA 203.A O no hydrogen 3.189 N/A ILE 208.A N THR 204.A O no hydrogen 3.140 N/A THR 209.A N LEU 205.A O no hydrogen 3.034 N/A THR 209.A OG1 LEU 205.A O no hydrogen 2.867 N/A THR 209.A OG1 HIS 206.A O no hydrogen 2.857 N/A SER 210.A N HIS 206.A O no hydrogen 2.731 N/A HIS 211.A N ALA 207.A O no hydrogen 2.988 N/A HIS 211.A N ILE 208.A O no hydrogen 3.260 N/A HIS 212.A N ILE 208.A O no hydrogen 2.712 N/A HIS 214.A NE2 ASP 188.A O no hydrogen 2.879 N/A ILE 215.A N HIS 212.A O no hydrogen 3.163 N/A ARG 216.A N SER 192.A O no hydrogen 2.793 N/A GLY 217.A N GLY 234.A O no hydrogen 2.688 N/A VAL 218.A N LEU 194.A O no hydrogen 2.757 N/A ASN 219.A N GLN 236.A O no hydrogen 2.927 N/A ASN 219.A ND2 GLY 200.A O no hydrogen 2.896 N/A ASN 219.A ND2 HIS 237.A ND1 no hydrogen 3.012 N/A PHE 220.A N ASP 196.A O no hydrogen 3.053 N/A ASP 221.A N VAL 238.A O no hydrogen 3.302 N/A LEU 222.A N ASP 221.A OD1 no hydrogen 2.564 N/A VAL 225.A N LEU 222.A O no hydrogen 2.772 N/A ILE 226.A N LEU 222.A O no hydrogen 3.061 N/A SER 227.A N PRO 223.A O no hydrogen 3.053 N/A ALA 229.A N ILE 226.A O no hydrogen 3.347 N/A VAL 235.A N PHE 232.A O no hydrogen 3.163 N/A GLN 236.A N GLY 217.A O no hydrogen 2.739 N/A HIS 237.A NE2 PRO 230.A O no hydrogen 2.871 N/A VAL 238.A N ASN 219.A O no hydrogen 2.780 N/A GLY 240.A N ASP 221.A O no hydrogen 3.093 N/A PHE 243.A N ASP 241.A OD1 no hydrogen 3.049 N/A LYS 244.A N ASP 241.A O no hydrogen 2.910 N/A SER 245.A N ASP 241.A O no hydrogen 2.827 N/A ASP 250.A N THR 193.A O no hydrogen 3.202 N/A ILE 252.A N LYS 283.A O no hydrogen 2.963 N/A LEU 253.A N VAL 195.A O no hydrogen 2.757 N/A MET 254.A N ILE 285.A O no hydrogen 2.883 N/A LYS 255.A NZ SER 173.A OG no hydrogen 2.708 N/A LYS 255.A NZ THR 204.A OG1 no hydrogen 3.287 N/A TRP 256.A N VAL 287.A O no hydrogen 2.931 N/A HIS 259.A N GLU 288.A OE1 no hydrogen 2.713 N/A ASP 260.A N ILE 257.A O no hydrogen 3.213 N/A TRP 261.A N LEU 258.A O no hydrogen 3.277 N/A CYS 266.A N SER 262.A O no hydrogen 2.942 N/A CYS 266.A SG LEU 258.A O no hydrogen 3.262 N/A CYS 266.A SG TRP 261.A O no hydrogen 3.904 N/A CYS 266.A SG SER 262.A O no hydrogen 3.159 N/A ALA 267.A N ASP 263.A O no hydrogen 3.051 N/A THR 268.A N ALA 264.A O no hydrogen 3.239 N/A THR 268.A OG1 ALA 264.A O no hydrogen 3.260 N/A LEU 269.A N HIS 265.A O no hydrogen 2.887 N/A LEU 270.A N CYS 266.A O no hydrogen 2.807 N/A LYS 271.A N ALA 267.A O no hydrogen 3.109 N/A ASN 272.A N THR 268.A O no hydrogen 3.228 N/A ASN 272.A ND2 MET 242.A O no hydrogen 3.013 N/A ASN 272.A ND2 PHE 243.A O no hydrogen 3.117 N/A CYS 273.A N LEU 269.A O no hydrogen 3.180 N/A CYS 273.A SG LEU 269.A O no hydrogen 3.243 N/A TYR 274.A N LEU 270.A O no hydrogen 3.084 N/A ASP 275.A N LYS 271.A O no hydrogen 3.215 N/A ALA 276.A N ASN 272.A O no hydrogen 3.133 N/A LEU 277.A N CYS 273.A O no hydrogen 3.369 N/A LYS 283.A NZ TYR 184.A OH no hydrogen 3.302 N/A LYS 283.A NZ GLY 186.A O no hydrogen 2.913 N/A LYS 283.A NZ GLU 351.A OE1 no hydrogen 3.340 N/A VAL 284.A N PHE 352.A O no hydrogen 2.985 N/A ILE 285.A N ILE 252.A O no hydrogen 2.557 N/A VAL 286.A N ILE 350.A O no hydrogen 2.702 N/A VAL 287.A N MET 254.A O no hydrogen 3.000 N/A CYS 289.A SG ASN 346.A O no hydrogen 3.209 N/A LEU 291.A N ARG 321.A O no hydrogen 2.967 N/A ALA 301.A N VAL 298.A O no hydrogen 2.843 N/A GLN 302.A N VAL 298.A O no hydrogen 3.045 N/A GLY 303.A N PRO 299.A O no hydrogen 3.165 N/A PHE 305.A N ALA 301.A O no hydrogen 3.138 N/A HIS 306.A N GLN 302.A O no hydrogen 3.000 N/A ASP 308.A N VAL 304.A O no hydrogen 3.319 N/A MET 309.A N PHE 305.A O no hydrogen 3.199 N/A MET 309.A N HIS 306.A O no hydrogen 3.094 N/A ILE 310.A N HIS 306.A O no hydrogen 2.987 N/A MET 311.A N VAL 307.A O no hydrogen 2.998 N/A LEU 312.A N ASP 308.A O no hydrogen 3.296 N/A ALA 313.A N MET 309.A O no hydrogen 3.215 N/A ALA 313.A N ILE 310.A O no hydrogen 3.238 N/A HIS 314.A N ILE 310.A O no hydrogen 3.104 N/A HIS 314.A ND1 ILE 310.A O no hydrogen 3.166 N/A HIS 314.A NE2 LEU 125.A O no hydrogen 3.098 N/A ARG 319.A N HIS 259.A O no hydrogen 3.091 N/A ARG 319.A NH1 ASP 263.A OD1 no hydrogen 2.823 N/A ARG 319.A NH1 GLU 325.A OE1 no hydrogen 3.348 N/A ARG 319.A NH2 GLU 325.A OE1 no hydrogen 2.946 N/A ARG 319.A NH2 GLU 325.A OE2 no hydrogen 3.324 N/A GLU 320.A N ASP 308.A OD1 no hydrogen 2.800 N/A ARG 321.A NE ASP 263.A OD1 no hydrogen 3.180 N/A ARG 321.A NH1 LEU 258.A O no hydrogen 2.848 N/A ARG 321.A NH2 TRP 261.A O no hydrogen 2.978 N/A ARG 321.A NH2 ASP 263.A OD1 no hydrogen 2.950 N/A TYR 322.A N GLU 325.A OE2 no hydrogen 3.087 N/A PHE 326.A N TYR 322.A O no hydrogen 3.350 N/A ARG 327.A N GLU 323.A O no hydrogen 2.996 N/A ARG 327.A NH2 GLU 323.A OE1 no hydrogen 3.243 N/A ASP 328.A N ARG 324.A O no hydrogen 2.698 N/A LEU 329.A N GLU 325.A O no hydrogen 3.029 N/A ALA 330.A N PHE 326.A O no hydrogen 2.962 N/A LYS 331.A N ARG 327.A O no hydrogen 3.073 N/A ALA 332.A N ASP 328.A O no hydrogen 3.001 N/A ALA 333.A N LEU 329.A O no hydrogen 3.132 N/A ALA 333.A N ALA 330.A O no hydrogen 3.177 N/A PHE 335.A N ALA 330.A O no hydrogen 3.033 N/A GLY 337.A N ILE 353.A O no hydrogen 3.096 N/A LYS 339.A N GLU 351.A O no hydrogen 3.160 N/A THR 341.A N ALA 349.A O no hydrogen 2.954 N/A TYR 342.A OH ALA 345.A O no hydrogen 2.179 N/A ILE 343.A N ALA 347.A O no hydrogen 3.110 N/A ALA 347.A N TYR 344.A O no hydrogen 2.973 N/A TRP 348.A N GLU 288.A O no hydrogen 2.911 N/A ALA 349.A N THR 341.A O no hydrogen 2.725 N/A ILE 350.A N VAL 286.A O no hydrogen 2.694 N/A GLU 351.A N LYS 339.A O no hydrogen 2.725 N/A PHE 352.A N VAL 284.A O no hydrogen 2.778 N/A ILE 353.A N GLY 337.A O no hydrogen 3.077 N/A LYS 354.A N GLY 282.A O no hydrogen 2.917 N/A LYS 354.A NZ TYR 274.A O no hydrogen 2.533 N/A LYS 354.A NZ LEU 277.A O no hydrogen 3.113 N/A LYS 354.A NZ PRO 278.A O no hydrogen 3.203 N/A