Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8p3y_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N LYS 47.A O no hydrogen 2.228 N/A VAL 5.A N LYS 49.A O no hydrogen 3.029 N/A THR 6.A N ILE 82.A O no hydrogen 3.169 N/A THR 6.A OG1 GLU 74.A OE1 no hydrogen 2.810 N/A THR 7.A N THR 51.A O no hydrogen 2.960 N/A THR 7.A OG1 THR 51.A O no hydrogen 3.356 N/A GLU 10.A N ILE 8.A O no hydrogen 2.941 N/A TYR 13.A N GLU 10.A O no hydrogen 2.905 N/A TYR 13.A OH THR 285.A OG1 no hydrogen 3.280 N/A VAL 14.A N GLU 10.A O no hydrogen 3.476 N/A MET 15.A N GLU 30.A O no hydrogen 2.785 N/A LYS 17.A N ARG 28.A O no hydrogen 3.101 N/A MET 22.A N ASN 19.A O no hydrogen 3.356 N/A LEU 23.A N HIS 20.A O no hydrogen 2.702 N/A ASN 26.A ND2 TYR 48.A O no hydrogen 2.990 N/A ARG 28.A NE GLY 25.A O no hydrogen 3.386 N/A TYR 29.A N ASN 26.A O no hydrogen 3.287 N/A GLU 30.A N MET 15.A O no hydrogen 2.869 N/A TYR 32.A N PRO 12.A O no hydrogen 3.157 N/A CYS 33.A N TYR 13.A O no hydrogen 2.963 N/A LEU 36.A N TYR 32.A O no hydrogen 2.841 N/A ALA 37.A N CYS 33.A O no hydrogen 2.866 N/A ALA 38.A N VAL 34.A O no hydrogen 2.981 N/A GLU 39.A N ASP 35.A O no hydrogen 2.988 N/A GLU 39.A N GLU 39.A OE1 no hydrogen 2.897 N/A ILE 40.A N LEU 36.A O no hydrogen 2.856 N/A ALA 41.A N ALA 37.A O no hydrogen 2.849 N/A LYS 42.A N ALA 38.A O no hydrogen 2.924 N/A HIS 43.A N GLU 39.A O no hydrogen 2.870 N/A HIS 43.A ND1 GLU 39.A O no hydrogen 3.018 N/A CYS 44.A N ILE 40.A O no hydrogen 2.889 N/A GLY 45.A N ALA 41.A O no hydrogen 2.416 N/A LYS 49.A N VAL 3.A O no hydrogen 2.816 N/A LEU 50.A N ASN 26.A OD1 no hydrogen 2.652 N/A THR 51.A N VAL 5.A O no hydrogen 2.724 N/A THR 51.A OG1 VAL 5.A O no hydrogen 2.634 N/A GLY 56.A N VAL 53.A O no hydrogen 3.112 N/A ASP 62.A N ILE 67.A O no hydrogen 2.978 N/A ASP 64.A N ASP 62.A OD1 no hydrogen 3.401 N/A LYS 66.A N ASP 62.A O no hydrogen 2.673 N/A ILE 67.A N THR 65.A OG1 no hydrogen 3.145 N/A TRP 68.A N TYR 77.A OH no hydrogen 3.452 N/A ASN 69.A N ALA 60.A O no hydrogen 2.850 N/A MET 71.A N TYR 58.A O no hydrogen 3.091 N/A GLY 73.A N ASN 69.A O no hydrogen 3.281 N/A GLU 74.A N GLY 70.A O no hydrogen 2.922 N/A LEU 75.A N MET 71.A O no hydrogen 2.850 N/A VAL 76.A N VAL 72.A O no hydrogen 2.889 N/A TYR 77.A N GLY 73.A O no hydrogen 2.854 N/A GLY 78.A N LEU 75.A O no hydrogen 3.450 N/A LYS 79.A N GLU 74.A O no hydrogen 2.877 N/A ASP 81.A N VAL 4.A O no hydrogen 3.375 N/A ILE 82.A N VAL 4.A O no hydrogen 3.233 N/A ALA 83.A N ALA 313.A O no hydrogen 3.207 N/A THR 88.A OG1 GLU 283.A OE1 no hydrogen 3.528 N/A ILE 89.A N GLY 309.A O no hydrogen 3.374 N/A GLU 94.A N THR 90.A O no hydrogen 3.265 N/A GLU 95.A N LEU 91.A O no hydrogen 3.235 N/A GLU 95.A N VAL 92.A O no hydrogen 3.130 N/A VAL 96.A N ARG 93.A O no hydrogen 3.117 N/A ILE 97.A N ARG 93.A O no hydrogen 2.810 N/A ASP 98.A N THR 314.A O no hydrogen 2.936 N/A PHE 99.A N GLU 94.A OE2 no hydrogen 2.724 N/A SER 100.A N ILE 312.A O no hydrogen 2.811 N/A SER 100.A OG LYS 101.A O no hydrogen 3.272 N/A SER 100.A OG ILE 312.A O no hydrogen 3.452 N/A PHE 103.A N TYR 310.A O no hydrogen 2.987 N/A LEU 106.A N LYS 308.A O no hydrogen 2.831 N/A ILE 108.A N ASP 306.A O no hydrogen 3.260 N/A SER 109.A N LEU 282.A O no hydrogen 2.735 N/A SER 109.A OG LEU 282.A O no hydrogen 2.976 N/A MET 111.A N TYR 280.A O no hydrogen 2.805 N/A ILE 112.A N MET 299.A O no hydrogen 2.960 N/A LYS 114.A N ASP 297.A O no hydrogen 3.465 N/A LYS 114.A NZ CYS 296.A O no hydrogen 2.978 N/A SER 118.A OG ASP 121.A OD2 no hydrogen 2.882 N/A ASP 121.A N SER 118.A O no hydrogen 3.130 N/A ILE 127.A N ALA 124.A O no hydrogen 3.286 N/A TRP 128.A N ALA 124.A O no hydrogen 3.436 N/A TRP 128.A NE1 LEU 120.A O no hydrogen 3.012 N/A MET 129.A N TYR 125.A O no hydrogen 3.035 N/A CYS 130.A N GLU 126.A O no hydrogen 2.921 N/A CYS 130.A SG GLU 126.A O no hydrogen 3.339 N/A ILE 131.A N ILE 127.A O no hydrogen 2.877 N/A VAL 132.A N TRP 128.A O no hydrogen 3.020 N/A PHE 133.A N MET 129.A O no hydrogen 3.043 N/A ALA 134.A N CYS 130.A O no hydrogen 2.910 N/A TYR 135.A N ILE 131.A O no hydrogen 2.951 N/A TYR 135.A OH LEU 162.A O no hydrogen 2.887 N/A ILE 136.A N VAL 132.A O no hydrogen 3.092 N/A GLY 137.A N PHE 133.A O no hydrogen 2.968 N/A VAL 138.A N ALA 134.A O no hydrogen 2.817 N/A SER 139.A N TYR 135.A O no hydrogen 3.007 N/A SER 139.A OG TYR 135.A O no hydrogen 2.755 N/A SER 139.A OG SER 165.A OG no hydrogen 3.240 N/A VAL 140.A N ILE 136.A O no hydrogen 2.993 N/A VAL 141.A N GLY 137.A O no hydrogen 2.937 N/A LEU 142.A N VAL 138.A O no hydrogen 2.941 N/A PHE 143.A N SER 139.A O no hydrogen 3.004 N/A LEU 144.A N VAL 140.A O no hydrogen 2.901 N/A VAL 145.A N VAL 141.A O no hydrogen 2.953 N/A SER 146.A N LEU 142.A O no hydrogen 3.194 N/A SER 146.A OG LEU 142.A O no hydrogen 3.209 N/A ARG 147.A N LEU 144.A O no hydrogen 3.055 N/A PHE 148.A N LEU 144.A O no hydrogen 3.034 N/A GLU 152.A N SER 149.A O no hydrogen 3.152 N/A TRP 153.A N PRO 150.A O no hydrogen 3.250 N/A GLY 157.A N GLU 155.A O no hydrogen 2.948 N/A ASN 160.A ND2 GLU 155.A O no hydrogen 3.067 N/A SER 161.A N GLY 157.A O no hydrogen 2.869 N/A LEU 162.A N ILE 158.A O no hydrogen 2.987 N/A TRP 163.A N PHE 159.A O.A no hydrogen 3.040 N/A TRP 163.A N PHE 159.A O.B no hydrogen 3.358 N/A PHE 164.A N ASN 160.A O no hydrogen 2.955 N/A SER 165.A N SER 161.A O no hydrogen 3.028 N/A SER 165.A OG SER 139.A OG no hydrogen 3.240 N/A SER 165.A OG SER 161.A O no hydrogen 3.417 N/A LEU 166.A N LEU 162.A O no hydrogen 2.984 N/A GLY 167.A N TRP 163.A O no hydrogen 2.952 N/A ALA 168.A N PHE 164.A O no hydrogen 3.021 N/A ALA 168.A N SER 165.A O no hydrogen 3.062 N/A PHE 169.A N SER 165.A O no hydrogen 3.062 N/A PHE 169.A N LEU 166.A O no hydrogen 3.068 N/A MET 170.A N LEU 166.A O no hydrogen 3.137 N/A ARG 171.A N ALA 168.A O no hydrogen 3.256 N/A GLN 172.A N GLY 167.A O no hydrogen 2.954 N/A ASP 175.A N ASP 175.A OD1 no hydrogen 2.370 N/A ARG 184.A N SER 180.A O no hydrogen 2.918 N/A ARG 184.A NE PRO 178.A O no hydrogen 3.237 N/A ILE 185.A N LEU 181.A O no hydrogen 3.008 N/A ILE 185.A N SER 182.A O no hydrogen 3.028 N/A VAL 186.A N SER 182.A O no hydrogen 3.091 N/A GLY 187.A N GLY 183.A O no hydrogen 2.899 N/A GLY 188.A N ARG 184.A O no hydrogen 2.946 N/A VAL 189.A N ILE 185.A O no hydrogen 3.084 N/A TRP 190.A N VAL 186.A O no hydrogen 3.055 N/A TRP 190.A NE1 SER 165.A O no hydrogen 3.005 N/A TRP 191.A N GLY 187.A O no hydrogen 2.950 N/A PHE 192.A N GLY 188.A O no hydrogen 3.017 N/A PHE 193.A N VAL 189.A O no hydrogen 2.992 N/A THR 194.A N TRP 190.A O no hydrogen 2.905 N/A THR 194.A OG1 TRP 190.A O no hydrogen 3.016 N/A LEU 195.A N TRP 191.A O no hydrogen 2.996 N/A ILE 196.A N PHE 192.A O no hydrogen 3.060 N/A ILE 197.A N PHE 193.A O no hydrogen 2.974 N/A ILE 198.A N THR 194.A O no hydrogen 2.836 N/A SER 199.A N LEU 195.A O no hydrogen 2.927 N/A SER 199.A OG LEU 195.A O no hydrogen 2.988 N/A SER 200.A N ILE 196.A O no hydrogen 3.027 N/A SER 200.A OG ILE 197.A O no hydrogen 2.808 N/A TYR 201.A N ILE 197.A O no hydrogen 3.027 N/A TYR 201.A OH PHE 119.A O no hydrogen 2.674 N/A THR 202.A N ILE 198.A O no hydrogen 3.019 N/A THR 202.A OG1 ILE 198.A O no hydrogen 3.371 N/A ALA 203.A N SER 199.A O no hydrogen 2.924 N/A ASN 204.A N SER 200.A O no hydrogen 2.987 N/A ASN 204.A ND2 PRO 122.A O no hydrogen 2.579 N/A LEU 205.A N TYR 201.A O no hydrogen 2.953 N/A ALA 206.A N THR 202.A O no hydrogen 2.979 N/A ALA 207.A N ALA 203.A O no hydrogen 3.023 N/A PHE 208.A N ASN 204.A O no hydrogen 2.928 N/A LEU 209.A N LEU 205.A O no hydrogen 3.003 N/A SER 213.A OG GLU 212.A O no hydrogen 2.435 N/A LEU 217.A N SER 213.A O no hydrogen 3.190 N/A SER 218.A N ALA 214.A O no hydrogen 2.890 N/A SER 218.A OG ALA 214.A O no hydrogen 3.427 N/A SER 218.A OG GLU 215.A O no hydrogen 2.618 N/A LYS 219.A N GLU 215.A O no hydrogen 2.915 N/A GLN 220.A N ASP 216.A O no hydrogen 3.235 N/A ALA 224.A N LYS 277.A O no hydrogen 3.082 N/A GLY 226.A N ALA 279.A O no hydrogen 3.111 N/A THR 227.A OG1 LEU 228.A O no hydrogen 3.031 N/A ASP 229.A N VAL 261.A O no hydrogen 2.983 N/A SER 230.A N ASP 229.A OD1 no hydrogen 2.396 N/A SER 232.A OG GLU 283.A OE1 no hydrogen 3.458 N/A GLU 235.A N GLY 231.A O no hydrogen 3.171 N/A PHE 236.A N SER 232.A O no hydrogen 2.819 N/A PHE 237.A N THR 233.A O no hydrogen 2.960 N/A ARG 238.A N LYS 234.A O no hydrogen 2.850 N/A ARG 239.A N GLU 235.A O no hydrogen 2.797 N/A SER 240.A N PHE 237.A O no hydrogen 3.295 N/A ILE 242.A N SER 240.A OG no hydrogen 3.191 N/A ASP 246.A N ILE 242.A O no hydrogen 2.917 N/A LYS 247.A N ALA 243.A O no hydrogen 2.911 N/A MET 248.A N VAL 244.A O no hydrogen 2.917 N/A TRP 249.A N PHE 245.A O no hydrogen 2.844 N/A THR 250.A N ASP 246.A O no hydrogen 2.941 N/A THR 250.A OG1 ASP 246.A O no hydrogen 3.452 N/A THR 250.A OG1 LYS 247.A O no hydrogen 2.505 N/A TYR 251.A N LYS 247.A O no hydrogen 2.946 N/A MET 252.A N MET 248.A O no hydrogen 2.872 N/A ARG 253.A N TRP 249.A O no hydrogen 2.884 N/A SER 254.A N TYR 251.A O no hydrogen 3.035 N/A SER 254.A OG THR 250.A O no hydrogen 3.234 N/A ALA 255.A N TYR 251.A O no hydrogen 2.470 N/A VAL 261.A N THR 227.A O no hydrogen 3.126 N/A ARG 262.A N GLU 266.A OE1 no hydrogen 3.385 N/A GLU 266.A N THR 263.A O no hydrogen 3.022 N/A GLY 267.A N THR 263.A O no hydrogen 3.358 N/A VAL 268.A N THR 264.A O no hydrogen 2.930 N/A ALA 269.A N ALA 265.A O no hydrogen 2.916 N/A ARG 270.A N GLU 266.A O no hydrogen 2.874 N/A ARG 270.A NH1 SER 258.A O no hydrogen 3.463 N/A VAL 271.A N GLY 267.A O no hydrogen 2.893 N/A ARG 272.A N VAL 268.A O no hydrogen 2.899 N/A LYS 273.A N ARG 270.A O no hydrogen 3.191 N/A SER 274.A OG ARG 270.A O no hydrogen 2.564 N/A LYS 277.A N SER 274.A O no hydrogen 2.889 N/A ALA 279.A N ALA 224.A O no hydrogen 2.623 N/A TYR 280.A N MET 111.A O no hydrogen 2.937 N/A LEU 281.A N GLY 226.A O no hydrogen 2.992 N/A LEU 282.A N SER 109.A O no hydrogen 2.993 N/A SER 284.A N GLY 107.A O no hydrogen 2.775 N/A THR 285.A OG1 TYR 13.A OH no hydrogen 3.280 N/A THR 285.A OG1 TYR 310.A OH no hydrogen 3.421 N/A ASN 287.A ND2 SER 109.A OG no hydrogen 2.733 N/A GLU 288.A N SER 284.A O no hydrogen 2.913 N/A TYR 289.A N THR 285.A O no hydrogen 2.928 N/A ILE 290.A N MET 286.A O no hydrogen 2.844 N/A GLU 291.A N ASN 287.A O no hydrogen 2.871 N/A GLN 292.A N GLU 288.A O no hydrogen 3.211 N/A ARG 293.A N ILE 290.A O no hydrogen 2.725 N/A CYS 296.A N ARG 293.A O no hydrogen 3.164 N/A CYS 296.A SG GLU 291.A O no hydrogen 3.520 N/A THR 298.A OG1 ILE 112.A O no hydrogen 2.464 N/A MET 299.A N ILE 112.A O no hydrogen 2.803 N/A LYS 300.A NZ GLY 302.A O no hydrogen 3.562 N/A VAL 301.A N ILE 110.A O no hydrogen 3.228 N/A LEU 305.A N ILE 108.A O no hydrogen 3.134 N/A LYS 308.A N LEU 106.A O no hydrogen 2.886 N/A TYR 310.A N MET 104.A O no hydrogen 2.910 N/A TYR 310.A OH THR 285.A OG1 no hydrogen 3.421 N/A GLY 311.A N LEU 87.A O no hydrogen 2.965 N/A THR 314.A N ASP 98.A O no hydrogen 2.858 N/A THR 314.A OG1 ASP 98.A O no hydrogen 3.316 N/A LYS 316.A NZ GLU 95.A O no hydrogen 3.141 N/A SER 318.A N PRO 315.A O no hydrogen 3.192 N/A LEU 320.A N SER 318.A OG no hydrogen 3.013 N/A VAL 324.A N LEU 320.A O no hydrogen 2.957 N/A ASN 325.A N GLY 321.A O no hydrogen 3.438 N/A ALA 327.A N PRO 323.A O no hydrogen 2.906 N/A VAL 328.A N VAL 324.A O no hydrogen 2.854 N/A LEU 329.A N ASN 325.A O no hydrogen 2.944 N/A LYS 330.A N LEU 326.A O no hydrogen 2.906 N/A LEU 331.A N ALA 327.A O no hydrogen 2.899 N/A SER 332.A N VAL 328.A O no hydrogen 2.870 N/A SER 332.A OG VAL 328.A O no hydrogen 2.889 N/A GLU 333.A N LEU 329.A O no hydrogen 2.932 N/A GLN 334.A N LYS 330.A O no hydrogen 2.911 N/A GLY 335.A N LEU 331.A O no hydrogen 2.893 N/A GLY 335.A N SER 332.A O no hydrogen 3.205 N/A VAL 336.A N LEU 331.A O no hydrogen 3.039 N/A LYS 339.A N GLY 335.A O no hydrogen 3.258 N/A LEU 340.A N VAL 336.A O no hydrogen 2.923 N/A LYS 341.A N LEU 337.A O no hydrogen 2.844 N/A ASN 342.A N ASP 338.A O no hydrogen 2.856 N/A LYS 343.A N LYS 339.A O no hydrogen 2.895 N/A TRP 344.A N LEU 340.A O no hydrogen 2.905 N/A TRP 345.A N LYS 341.A O no hydrogen 2.857 N/A TRP 345.A NE1 THR 285.A O no hydrogen 2.942 N/A ASP 347.A N ASN 342.A O no hydrogen 2.896 N/A GLY 349.A N TYR 346.A O no hydrogen 3.060 N/A GLU 350.A N GLN 292.A O no hydrogen 2.672 N/A CYS 351.A SG GLU 350.A O no hydrogen 2.915 N/A SER 356.A N ASN 359.A OD1 no hydrogen 3.393 N/A SER 356.A OG ASN 359.A OD1 no hydrogen 3.461 N/A ASN 359.A N SER 356.A O no hydrogen 2.421 N/A VAL 360.A N LEU 357.A O no hydrogen 3.372 N/A VAL 363.A N VAL 360.A O no hydrogen 2.925 N/A TYR 365.A N ALA 361.A O no hydrogen 2.951 N/A ILE 366.A N GLY 362.A O no hydrogen 3.026 N/A LEU 367.A N VAL 363.A O no hydrogen 3.023 N/A VAL 368.A N PHE 364.A O no hydrogen 3.042 N/A GLY 369.A N TYR 365.A O no hydrogen 2.991 N/A GLY 370.A N ILE 366.A O no hydrogen 2.890 N/A LEU 371.A N LEU 367.A O no hydrogen 3.014 N/A GLY 372.A N VAL 368.A O no hydrogen 3.049 N/A LEU 373.A N GLY 369.A O no hydrogen 2.948 N/A ALA 374.A N GLY 370.A O no hydrogen 2.925 N/A MET 375.A N LEU 371.A O no hydrogen 3.026 N/A LEU 376.A N GLY 372.A O no hydrogen 2.980 N/A VAL 377.A N LEU 373.A O no hydrogen 2.928 N/A ALA 378.A N ALA 374.A O no hydrogen 2.981 N/A LEU 379.A N MET 375.A O no hydrogen 2.954 N/A ILE 380.A N LEU 376.A O no hydrogen 2.916 N/A GLU 381.A N VAL 377.A O no hydrogen 3.007 N/A PHE 382.A N ALA 378.A O no hydrogen 2.941 N/A CYS 383.A N LEU 379.A O no hydrogen 2.907 N/A CYS 383.A SG LEU 379.A O no hydrogen 3.568 N/A TYR 384.A N ILE 380.A O no hydrogen 2.932 N/A LYS 385.A N GLU 381.A O no hydrogen 2.947 N/A LYS 385.A NZ GLU 381.A OE1 no hydrogen 3.052 N/A SER 386.A N PHE 382.A O no hydrogen 2.852 N/A ARG 387.A N CYS 383.A O no hydrogen 2.941 N/A ARG 387.A N TYR 384.A O no hydrogen 3.099 N/A ALA 388.A N LYS 385.A O no hydrogen 2.900 N/A