Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8a52_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A N ASN 3.A OD1 no hydrogen 3.076 N/A LEU 7.A N ASN 3.A O no hydrogen 3.023 N/A GLN 8.A N ALA 4.A O no hydrogen 2.959 N/A LEU 9.A N LYS 5.A O no hydrogen 3.048 N/A GLU 11.A N GLN 8.A O no hydrogen 2.893 N/A HIS 12.A N LEU 9.A O no hydrogen 3.184 N/A HIS 12.A ND1 LEU 9.A O no hydrogen 3.085 N/A SER 13.A N VAL 10.A O no hydrogen 3.333 N/A ASP 15.A N SER 13.A OG no hydrogen 3.148 N/A GLY 16.A N GLN 115.A O no hydrogen 3.115 N/A ILE 17.A N ASN 33.A OD1 no hydrogen 2.803 N/A VAL 18.A N GLY 113.A O no hydrogen 2.921 N/A VAL 19.A N TYR 31.A O no hydrogen 2.978 N/A ALA 20.A N TYR 111.A O no hydrogen 2.650 N/A GLU 21.A N ILE 28.A O no hydrogen 2.805 N/A GLN 22.A N THR 109.A O no hydrogen 3.043 N/A GLU 23.A N GLU 26.A O no hydrogen 2.699 N/A GLU 26.A N GLU 23.A O no hydrogen 2.947 N/A SER 27.A N ASP 51.A OD2 no hydrogen 2.906 N/A ILE 28.A N GLU 21.A O no hydrogen 2.970 N/A LEU 29.A N GLN 50.A O no hydrogen 3.008 N/A ILE 30.A N VAL 19.A O no hydrogen 2.889 N/A TYR 31.A N VAL 19.A O no hydrogen 3.171 N/A TYR 31.A OH GLU 11.A OE1 no hydrogen 2.788 N/A ASN 33.A N ILE 17.A O no hydrogen 3.210 N/A ASN 33.A ND2 VAL 10.A O no hydrogen 3.316 N/A ASN 33.A ND2 ASP 15.A O no hydrogen 2.815 N/A PHE 36.A N ASN 33.A O no hydrogen 2.812 N/A PHE 36.A N ASN 33.A OD1 no hydrogen 3.230 N/A GLU 37.A N ASN 33.A O no hydrogen 3.214 N/A ARG 38.A N PRO 34.A O no hydrogen 2.877 N/A LEU 39.A N ALA 35.A O no hydrogen 2.835 N/A THR 40.A N PHE 36.A O no hydrogen 3.024 N/A THR 40.A OG1 PHE 36.A O no hydrogen 2.520 N/A CYS 43.A SG GLU 37.A OE1 no hydrogen 3.889 N/A ALA 44.A N GLU 37.A OE1 no hydrogen 2.742 N/A ASP 46.A N CYS 43.A O no hydrogen 3.133 N/A ILE 47.A N CYS 43.A O no hydrogen 3.398 N/A LEU 48.A N ALA 44.A O no hydrogen 3.316 N/A TYR 49.A N LEU 29.A O no hydrogen 2.603 N/A ARG 53.A N ASP 51.A OD1 no hydrogen 2.819 N/A ARG 53.A NH1 GLU 26.A OE2 no hydrogen 2.548 N/A ARG 53.A NH2 ASN 25.A O no hydrogen 3.344 N/A LEU 55.A N CYS 52.A O no hydrogen 3.038 N/A GLN 56.A N ARG 53.A O no hydrogen 3.050 N/A GLY 57.A N PHE 54.A O no hydrogen 2.960 N/A ASP 59.A N GLN 56.A O no hydrogen 3.121 N/A GLN 62.A NE2 ASP 59.A O no hydrogen 3.168 N/A GLN 62.A NE2 ARG 83.A O no hydrogen 2.810 N/A ILE 65.A N GLN 62.A O no hydrogen 3.241 N/A ILE 68.A N GLY 64.A O no hydrogen 2.948 N/A ARG 69.A N ILE 65.A O no hydrogen 3.047 N/A GLU 70.A N ALA 66.A O no hydrogen 3.012 N/A ALA 71.A N ILE 67.A O no hydrogen 2.968 N/A ILE 72.A N ILE 68.A O no hydrogen 2.846 N/A ARG 73.A N ARG 69.A O no hydrogen 2.928 N/A ARG 73.A NE GLU 70.A OE1 no hydrogen 3.284 N/A ARG 73.A NE GLU 70.A OE2 no hydrogen 3.366 N/A ARG 73.A NH2 GLU 70.A OE2 no hydrogen 2.713 N/A GLU 74.A N GLU 70.A O no hydrogen 2.819 N/A GLY 75.A N ILE 72.A O no hydrogen 3.194 N/A CYS 78.A N ILE 98.A O no hydrogen 3.044 N/A CYS 79.A SG GLU 95.A OE2 no hydrogen 3.397 N/A CYS 79.A SG LEU 96.A O no hydrogen 3.908 N/A CYS 79.A SG SER 97.A OG no hydrogen 3.728 N/A GLN 80.A N LEU 96.A O no hydrogen 3.099 N/A LEU 82.A N ASN 94.A O no hydrogen 2.874 N/A ARG 83.A N GLN 62.A OE1 no hydrogen 2.545 N/A ARG 83.A NE ASP 59.A OD2 no hydrogen 2.318 N/A ARG 83.A NH2 ASP 59.A OD1 no hydrogen 2.623 N/A ARG 83.A NH2 ASP 59.A OD2 no hydrogen 2.885 N/A ASN 84.A N PHE 92.A O no hydrogen 2.803 N/A TYR 85.A N LEU 55.A O no hydrogen 2.879 N/A TYR 85.A OH ASP 59.A OD2 no hydrogen 2.616 N/A ARG 86.A N SER 90.A O no hydrogen 2.910 N/A ARG 86.A NH1 SER 90.A OG no hydrogen 2.616 N/A LYS 87.A N THR 40.A O no hydrogen 3.032 N/A GLY 89.A N ARG 86.A O no hydrogen 3.061 N/A SER 90.A N ASP 88.A OD1 no hydrogen 2.951 N/A SER 90.A OG ASP 88.A OD1 no hydrogen 2.551 N/A PHE 92.A N ASN 84.A O no hydrogen 2.843 N/A TRP 93.A N THR 119.A OG1 no hydrogen 3.294 N/A ASN 94.A N LEU 82.A O no hydrogen 2.701 N/A ASN 94.A ND2 ASN 84.A OD1 no hydrogen 3.051 N/A GLU 95.A N ARG 116.A O no hydrogen 2.946 N/A LEU 96.A N GLN 80.A O no hydrogen 2.764 N/A SER 97.A N ILE 114.A O no hydrogen 2.911 N/A ILE 98.A N CYS 78.A O no hydrogen 3.039 N/A THR 99.A N ILE 112.A O no hydrogen 2.908 N/A VAL 101.A N TYR 110.A O no hydrogen 2.798 N/A HIS 102.A ND1 THR 109.A OG1 no hydrogen 3.311 N/A ASN 103.A N LEU 108.A O no hydrogen 2.839 N/A ALA 105.A N ASN 103.A OD1 no hydrogen 3.323 N/A GLN 107.A N GLU 104.A O no hydrogen 3.208 N/A LEU 108.A N ASN 103.A O no hydrogen 3.284 N/A THR 109.A OG1 HIS 102.A ND1 no hydrogen 3.311 N/A TYR 110.A N VAL 101.A O no hydrogen 2.654 N/A TYR 110.A OH ASP 106.A OD2 no hydrogen 2.859 N/A TYR 111.A N ALA 20.A O no hydrogen 2.753 N/A ILE 112.A N THR 99.A O no hydrogen 3.228 N/A GLY 113.A N VAL 18.A O no hydrogen 2.862 N/A ILE 114.A N SER 97.A O no hydrogen 2.859 N/A GLN 115.A N GLY 16.A O no hydrogen 2.666 N/A ARG 116.A N GLU 95.A O no hydrogen 3.189 N/A VAL 118.A N TRP 93.A O no hydrogen 2.954 N/A THR 119.A N ASP 117.A OD1 no hydrogen 3.134 N/A THR 119.A OG1 ASP 117.A OD1 no hydrogen 2.352 N/A THR 119.A OG1 ASP 117.A OD2 no hydrogen 3.460 N/A GLN 122.A N VAL 118.A O no hydrogen 2.912 N/A GLN 123.A N THR 119.A O no hydrogen 2.954 N/A THR 124.A N GLU 120.A O no hydrogen 3.131 N/A THR 124.A OG1 GLU 120.A O no hydrogen 3.023 N/A THR 124.A OG1 HIS 121.A O no hydrogen 3.267 N/A GLN 125.A N HIS 121.A O no hydrogen 2.993 N/A ALA 126.A N GLN 122.A O no hydrogen 2.833 N/A ARG 127.A N GLN 123.A O no hydrogen 2.931 N/A LEU 128.A N THR 124.A O no hydrogen 3.024 N/A GLN 129.A N GLN 125.A O no hydrogen 3.037 N/A GLU 130.A N ALA 126.A O no hydrogen 3.047 N/A LEU 131.A N ARG 127.A O no hydrogen 2.776 N/A GLN 132.A N LEU 128.A O no hydrogen 2.673 N/A SER 133.A N GLN 129.A O no hydrogen 2.951 N/A SER 133.A OG GLN 129.A O no hydrogen 3.362 N/A GLU 134.A N GLU 130.A O no hydrogen 2.774 N/A LEU 135.A N LEU 131.A O no hydrogen 2.858 N/A VAL 136.A N GLN 132.A O no hydrogen 2.919 N/A HIS 137.A N SER 133.A O no hydrogen 2.914 N/A VAL 138.A N GLU 134.A O no hydrogen 3.143 N/A SER 139.A N LEU 135.A O no hydrogen 2.881 N/A SER 139.A OG LEU 135.A O no hydrogen 2.685 N/A ARG 140.A N VAL 136.A O no hydrogen 3.014 N/A LEU 141.A N HIS 137.A O no hydrogen 3.022 N/A SER 142.A N VAL 138.A O no hydrogen 2.964 N/A SER 142.A OG VAL 138.A O no hydrogen 3.075 N/A ALA 143.A N SER 139.A O no hydrogen 2.877 N/A GLU 145.A N SER 142.A O no hydrogen 2.818 N/A SER 147.A N GLY 144.A O no hydrogen 3.150 N/A SER 147.A OG GLY 144.A O no hydrogen 3.420 N/A SER 147.A OG GLU 145.A O no hydrogen 3.209 N/A ALA 148.A N GLU 145.A O no hydrogen 3.022 N/A ALA 150.A N ALA 146.A O no hydrogen 3.019 N/A HIS 151.A N SER 147.A O no hydrogen 3.065 N/A GLU 152.A N ALA 148.A O no hydrogen 2.948 N/A LEU 153.A N LEU 149.A O no hydrogen 2.947 N/A ASN 154.A N HIS 151.A O no hydrogen 3.273 N/A LEU 157.A N LEU 153.A O no hydrogen 3.200 N/A ALA 158.A N ASN 154.A O no hydrogen 3.212 N/A ALA 159.A N GLN 155.A O no hydrogen 2.955 N/A ILE 160.A N PRO 156.A O no hydrogen 2.986 N/A SER 161.A N LEU 157.A O no hydrogen 3.164 N/A ASN 162.A N ALA 158.A O no hydrogen 2.907 N/A TYR 163.A N ALA 159.A O no hydrogen 2.905 N/A GLY 165.A N ASN 162.A O no hydrogen 2.902 N/A SER 166.A N TYR 163.A O no hydrogen 2.966 N/A SER 166.A OG TYR 163.A O no hydrogen 2.616 N/A ARG 168.A N LYS 164.A O no hydrogen 3.136 N/A LEU 169.A N GLY 165.A O no hydrogen 3.000 N/A LEU 170.A N SER 166.A O no hydrogen 2.820 N/A ALA 171.A N ARG 168.A O no hydrogen 3.306 N/A SER 173.A OG THR 178.A OG1 no hydrogen 2.798 N/A ASP 175.A N SER 173.A OG no hydrogen 3.342 N/A ASN 177.A N ASP 175.A OD1 no hydrogen 2.956 N/A THR 178.A N ASP 175.A O no hydrogen 3.147 N/A THR 178.A OG1 SER 173.A OG no hydrogen 2.798 N/A THR 178.A OG1 ASP 175.A O no hydrogen 3.267 N/A VAL 181.A N ASN 177.A O no hydrogen 3.138 N/A GLU 182.A N THR 178.A O no hydrogen 2.805 N/A SER 183.A N PRO 179.A O no hydrogen 2.950 N/A SER 183.A OG PRO 179.A O no hydrogen 3.076 N/A ALA 184.A N LYS 180.A O no hydrogen 2.957 N/A LEU 185.A N VAL 181.A O no hydrogen 2.798 N/A ASP 186.A N GLU 182.A O no hydrogen 2.878 N/A ARG 187.A N SER 183.A O no hydrogen 3.145 N/A ALA 188.A N ALA 184.A O no hydrogen 2.992 N/A ALA 189.A N LEU 185.A O no hydrogen 2.869 N/A GLU 190.A N ASP 186.A O no hydrogen 2.860 N/A GLN 191.A N ARG 187.A O no hydrogen 2.986 N/A ALA 192.A N ALA 188.A O no hydrogen 3.051 N/A LEU 193.A N ALA 189.A O no hydrogen 2.966 N/A ARG 194.A N GLU 190.A O no hydrogen 2.790 N/A ALA 195.A N GLN 191.A O no hydrogen 2.901 N/A GLY 196.A N ALA 192.A O no hydrogen 3.132 N/A GLN 197.A N LEU 193.A O no hydrogen 2.891 N/A ILE 198.A N ARG 194.A O no hydrogen 2.691 N/A ILE 199.A N ALA 195.A O no hydrogen 3.055 N/A ARG 200.A N GLY 196.A O no hydrogen 3.260 N/A ARG 201.A N GLN 197.A O no hydrogen 2.889 N/A ARG 201.A NH1 ARG 201.A O no hydrogen 2.492 N/A LEU 202.A N ILE 198.A O no hydrogen 2.949 N/A ARG 203.A N ILE 199.A O no hydrogen 2.914 N/A ASP 204.A N ARG 200.A O no hydrogen 3.239 N/A PHE 205.A N ARG 201.A O no hydrogen 3.187 N/A SER 211.A OG ASP 254.A OD2 no hydrogen 2.268 N/A ARG 214.A N ALA 253.A O no hydrogen 3.186 N/A GLU 216.A N VAL 251.A O no hydrogen 2.807 N/A SER 217.A OG ASP 249.A OD2 no hydrogen 3.506 N/A LEU 218.A N ASP 249.A O no hydrogen 2.665 N/A LYS 220.A N SER 217.A OG no hydrogen 3.117 N/A LYS 220.A NZ GLU 224.A OE2 no hydrogen 3.225 N/A LEU 221.A N SER 217.A O no hydrogen 3.064 N/A ILE 222.A N LEU 218.A O no hydrogen 2.789 N/A GLU 223.A N SER 219.A O no hydrogen 3.045 N/A GLU 224.A N LYS 220.A O no hydrogen 2.827 N/A ALA 225.A N LEU 221.A O no hydrogen 2.887 N/A GLY 226.A N ILE 222.A O no hydrogen 2.858 N/A ALA 227.A N GLU 223.A O no hydrogen 2.924 N/A GLY 229.A N ALA 225.A O no hydrogen 2.771 N/A LEU 230.A N GLY 226.A O no hydrogen 2.809 N/A ALA 233.A N LEU 230.A O no hydrogen 3.422 N/A GLN 236.A N GLY 232.A O no hydrogen 3.365 N/A GLN 236.A NE2 LEU 270.A O no hydrogen 3.414 N/A ASN 237.A N ARG 234.A O no hydrogen 3.162 N/A VAL 238.A N ALA 233.A O no hydrogen 2.860 N/A GLN 239.A N ARG 278.A O no hydrogen 2.824 N/A ARG 241.A N LEU 280.A O no hydrogen 3.046 N/A SER 243.A N VAL 282.A O no hydrogen 2.789 N/A ALA 248.A N ASP 245.A O no hydrogen 2.996 N/A VAL 251.A N GLU 216.A O no hydrogen 2.909 N/A ALA 253.A N ARG 214.A O no hydrogen 2.907 N/A ARG 255.A NE GLU 224.A OE1 no hydrogen 2.656 N/A ARG 255.A NH2 GLU 224.A OE2 no hydrogen 3.031 N/A GLN 257.A N ASP 254.A O no hydrogen 3.101 N/A GLN 257.A N GLN 257.A OE1 no hydrogen 2.441 N/A GLN 257.A NE2 SER 211.A OG no hydrogen 3.070 N/A GLN 257.A NE2 ASP 254.A OD2 no hydrogen 2.309 N/A ILE 258.A N ASP 254.A O no hydrogen 3.312 N/A GLN 259.A N ARG 255.A O no hydrogen 2.894 N/A GLN 259.A NE2 GLU 134.A OE2 no hydrogen 3.289 N/A GLN 260.A N VAL 256.A O no hydrogen 3.116 N/A VAL 261.A N GLN 257.A O no hydrogen 3.123 N/A LEU 262.A N ILE 258.A O no hydrogen 2.960 N/A VAL 263.A N GLN 259.A O no hydrogen 2.894 N/A ASN 264.A N GLN 260.A O no hydrogen 3.075 N/A LEU 265.A N VAL 261.A O no hydrogen 2.872 N/A PHE 266.A N LEU 262.A O no hydrogen 2.593 N/A ARG 267.A N VAL 263.A O no hydrogen 2.830 N/A ASN 268.A N ASN 264.A O no hydrogen 2.822 N/A ALA 269.A N LEU 265.A O no hydrogen 2.851 N/A LEU 270.A N PHE 266.A O no hydrogen 2.991 N/A GLU 271.A N ARG 267.A O no hydrogen 3.034 N/A ALA 272.A N ASN 268.A O no hydrogen 3.131 N/A SER 275.A OG ALA 272.A O no hydrogen 3.395 N/A ARG 277.A NE GLU 279.A OE1 no hydrogen 3.003 N/A ARG 277.A NE GLU 279.A OE2 no hydrogen 3.069 N/A ARG 277.A NH2 GLU 279.A OE1 no hydrogen 2.939 N/A ARG 278.A NE SER 275.A O no hydrogen 2.879 N/A ARG 278.A NH1 GLN 236.A O no hydrogen 2.540 N/A LEU 280.A N GLN 239.A O no hydrogen 2.888 N/A VAL 281.A N SER 296.A O no hydrogen 3.037 N/A VAL 282.A N ARG 241.A O no hydrogen 3.015 N/A THR 283.A N GLU 294.A O no hydrogen 2.830 N/A ASN 284.A N SER 243.A O no hydrogen 3.329 N/A ASN 284.A ND2 ALA 248.A O no hydrogen 2.381 N/A THR 285.A N GLU 292.A O no hydrogen 2.882 N/A ILE 291.A N LEU 354.A O no hydrogen 2.798 N/A GLU 292.A N THR 285.A O no hydrogen 2.622 N/A VAL 293.A N PHE 352.A O no hydrogen 2.686 N/A GLU 294.A N THR 283.A O no hydrogen 2.643 N/A VAL 295.A N PHE 350.A O no hydrogen 2.959 N/A SER 296.A N VAL 281.A O no hydrogen 2.917 N/A SER 296.A OG GLU 294.A OE2 no hydrogen 2.566 N/A SER 296.A OG THR 349.A OG1 no hydrogen 2.739 N/A ASP 297.A N ALA 348.A O no hydrogen 2.731 N/A GLY 299.A N ASP 297.A OD1 no hydrogen 3.002 N/A SER 300.A N ALA 272.A O no hydrogen 2.876 N/A SER 300.A OG ALA 272.A O no hydrogen 3.019 N/A VAL 306.A N GLN 303.A O no hydrogen 3.072 N/A ASN 309.A N VAL 306.A O no hydrogen 2.845 N/A LEU 310.A N ILE 307.A O no hydrogen 3.165 N/A THR 313.A OG1 GLU 145.A OE2 no hydrogen 2.407 N/A THR 313.A OG1 SER 326.A OG no hydrogen 2.772 N/A PHE 314.A N GLY 322.A O no hydrogen 2.993 N/A PHE 315.A N GLN 312.A O no hydrogen 3.267 N/A THR 316.A OG1 LYS 318.A O no hydrogen 3.479 N/A LYS 318.A N THR 316.A OG1 no hydrogen 2.965 N/A LYS 318.A NZ GLU 271.A OE1 no hydrogen 2.591 N/A GLY 321.A N LYS 318.A O no hydrogen 3.320 N/A SER 326.A OG GLU 145.A OE2 no hydrogen 2.954 N/A SER 326.A OG THR 313.A OG1 no hydrogen 2.772 N/A ILE 327.A N VAL 323.A O no hydrogen 2.776 N/A SER 328.A N GLY 324.A O no hydrogen 2.847 N/A SER 328.A OG GLY 324.A O no hydrogen 2.976 N/A ARG 329.A N LEU 325.A O no hydrogen 2.792 N/A ARG 329.A NH1 GLU 333.A OE2 no hydrogen 3.256 N/A SER 330.A N SER 326.A O no hydrogen 3.129 N/A SER 330.A OG SER 326.A O no hydrogen 3.329 N/A SER 330.A OG ILE 327.A O no hydrogen 2.708 N/A ILE 331.A N ILE 327.A O no hydrogen 2.910 N/A ILE 332.A N SER 328.A O no hydrogen 2.963 N/A GLU 333.A N ARG 329.A O no hydrogen 3.146 N/A ALA 334.A N SER 330.A O no hydrogen 2.970 N/A HIS 335.A N ILE 331.A O no hydrogen 3.093 N/A HIS 335.A N ILE 332.A O no hydrogen 3.143 N/A GLY 336.A N GLU 333.A O no hydrogen 3.073 N/A GLY 337.A N ILE 332.A O no hydrogen 3.096 N/A ARG 338.A N THR 353.A OG1 no hydrogen 3.075 N/A GLU 341.A N THR 349.A O no hydrogen 2.794 N/A ASN 343.A N GLY 347.A O no hydrogen 3.364 N/A ASN 343.A ND2 ASP 297.A O no hydrogen 2.280 N/A SER 345.A N ASN 343.A OD1 no hydrogen 3.029 N/A SER 345.A OG ASN 343.A OD1 no hydrogen 2.590 N/A GLY 346.A N ASN 343.A O no hydrogen 3.078 N/A GLY 347.A N ASN 343.A OD1 no hydrogen 2.872 N/A ALA 348.A N ASP 297.A OD1 no hydrogen 2.659 N/A THR 349.A N GLU 341.A O no hydrogen 2.706 N/A THR 349.A OG1 SER 296.A OG no hydrogen 2.739 N/A PHE 350.A N VAL 295.A O no hydrogen 2.958 N/A ARG 351.A N TRP 339.A O no hydrogen 3.105 N/A ARG 351.A NE GLU 341.A OE2 no hydrogen 2.889 N/A ARG 351.A NH1 GLU 292.A OE2 no hydrogen 3.472 N/A ARG 351.A NH2 GLU 341.A OE2 no hydrogen 2.707 N/A PHE 352.A N VAL 293.A O no hydrogen 3.018 N/A LEU 354.A N ILE 291.A O no hydrogen 2.476 N/A