Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nub_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH ILE 31.A O no hydrogen 2.880 N/A GLN 3.A NE2 GLU 1.A OE2 no hydrogen 3.395 N/A THR 5.A N GLY 26.A O no hydrogen 2.913 N/A THR 5.A OG1 GLY 26.A O no hydrogen 2.998 N/A PHE 11.A N ASN 7.A O no hydrogen 2.998 N/A LEU 12.A N TRP 8.A O no hydrogen 2.895 N/A GLU 13.A N PRO 9.A O no hydrogen 2.842 N/A ARG 14.A N ASP 10.A O no hydrogen 2.919 N/A HIS 15.A N PHE 11.A O no hydrogen 2.852 N/A HIS 15.A ND1 ARG 19.A O no hydrogen 2.761 N/A TRP 16.A N PHE 11.A O no hydrogen 3.059 N/A GLN 17.A N TYR 165.A OH no hydrogen 2.695 N/A LYS 18.A N HIS 15.A O no hydrogen 2.734 N/A LYS 18.A NZ LEU 12.A O no hydrogen 2.638 N/A LYS 18.A NZ TRP 16.A O no hydrogen 2.902 N/A ARG 19.A N HIS 15.A O no hydrogen 2.669 N/A VAL 21.A N TYR 165.A O no hydrogen 2.990 N/A LEU 23.A N ILE 163.A O no hydrogen 2.749 N/A LYS 24.A NZ ASP 162.A OD2 no hydrogen 2.802 N/A ARG 25.A N ASP 162.A OD1 no hydrogen 2.706 N/A PHE 27.A N GLY 161.A O no hydrogen 3.019 N/A SER 35.A N GLU 38.A OE2 no hydrogen 2.716 N/A SER 35.A OG GLU 38.A OE2 no hydrogen 2.946 N/A GLU 38.A N SER 35.A OG no hydrogen 2.851 N/A LEU 39.A N SER 35.A O no hydrogen 3.038 N/A ALA 40.A N PRO 36.A O no hydrogen 3.049 N/A GLY 41.A N ASP 37.A O no hydrogen 3.030 N/A LEU 42.A N GLU 38.A O no hydrogen 3.111 N/A LEU 42.A N LEU 39.A O no hydrogen 3.163 N/A ALA 43.A N LEU 39.A O no hydrogen 3.161 N/A ALA 43.A N ALA 40.A O no hydrogen 3.118 N/A SER 45.A OG GLU 46.A OE1 no hydrogen 3.055 N/A VAL 47.A N GLU 44.A O no hydrogen 3.217 N/A LEU 51.A N SER 62.A O no hydrogen 2.866 N/A VAL 52.A N SER 78.A O no hydrogen 2.896 N/A SER 53.A N GLN 60.A O no hydrogen 3.141 N/A HIS 54.A N ASN 76.A O no hydrogen 3.290 N/A HIS 54.A NE2 GLY 115.A O no hydrogen 2.978 N/A GLN 55.A N LYS 58.A O no hydrogen 3.252 N/A LYS 58.A N GLN 55.A O no hydrogen 3.006 N/A SER 62.A N LEU 51.A O no hydrogen 2.933 N/A GLY 64.A N SER 49.A O no hydrogen 3.432 N/A TYR 69.A OH ALA 40.A O no hydrogen 3.221 N/A ASN 76.A N PRO 114.A O no hydrogen 2.868 N/A TRP 77.A NE1 GLY 73.A O no hydrogen 3.179 N/A SER 78.A N VAL 52.A O no hydrogen 2.858 N/A SER 78.A OG PHE 111.A O no hydrogen 3.445 N/A LEU 79.A N PHE 111.A O no hydrogen 2.729 N/A LEU 80.A N ARG 50.A O no hydrogen 2.924 N/A VAL 81.A N ILE 109.A O no hydrogen 2.864 N/A GLN 82.A N ASP 48.A O no hydrogen 2.916 N/A VAL 84.A N LEU 108.A O no hydrogen 2.982 N/A ASN 85.A ND2 ASP 107.A OD1 no hydrogen 3.163 N/A HIS 86.A N ALA 83.A O no hydrogen 3.128 N/A HIS 86.A ND1 GLU 259.A O no hydrogen 2.801 N/A HIS 86.A NE2 ASP 107.A OD1 no hydrogen 2.831 N/A TRP 87.A N VAL 84.A O no hydrogen 2.916 N/A HIS 88.A N VAL 84.A O no hydrogen 2.919 N/A THR 91.A N HIS 88.A O no hydrogen 3.025 N/A THR 91.A OG1 HIS 88.A O no hydrogen 3.231 N/A ALA 92.A N GLU 89.A O no hydrogen 3.245 N/A ALA 93.A N PRO 90.A O no hydrogen 3.229 N/A LEU 94.A N THR 91.A O no hydrogen 3.042 N/A ARG 98.A N ARG 95.A O no hydrogen 3.378 N/A ARG 98.A NH1 SER 319.A O no hydrogen 3.314 N/A ARG 98.A NH2 ALA 318.A O no hydrogen 3.513 N/A LEU 100.A N PHE 97.A O no hydrogen 2.767 N/A ARG 104.A N PRO 101.A O no hydrogen 3.013 N/A ARG 104.A NE ARG 187.A O no hydrogen 3.111 N/A ARG 104.A NH2 ARG 187.A O no hydrogen 3.169 N/A ILE 105.A N ASP 102.A O no hydrogen 3.308 N/A ASP 106.A N GLY 185.A O no hydrogen 2.735 N/A LEU 108.A N ASN 85.A OD1 no hydrogen 3.171 N/A ILE 109.A N VAL 81.A O no hydrogen 2.924 N/A SER 110.A N ASN 181.A O no hydrogen 2.863 N/A PHE 111.A N LEU 79.A O no hydrogen 2.707 N/A SER 112.A N ALA 180.A O no hydrogen 2.971 N/A VAL 113.A N TRP 77.A O no hydrogen 3.417 N/A GLY 115.A N ALA 176.A O no hydrogen 3.061 N/A GLY 116.A N VAL 113.A O no hydrogen 2.806 N/A HIS 121.A N HIS 172.A O no hydrogen 3.109 N/A HIS 121.A ND1 GLY 119.A O no hydrogen 3.188 N/A LEU 122.A N LEU 145.A O no hydrogen 3.314 N/A VAL 127.A N ILE 166.A O no hydrogen 3.085 N/A PHE 128.A N VAL 184.A O no hydrogen 3.055 N/A ILE 129.A N LEU 164.A O no hydrogen 2.714 N/A ILE 130.A N TYR 182.A O no hydrogen 2.862 N/A GLN 131.A N ASP 162.A O no hydrogen 2.949 N/A GLN 131.A NE2 GLY 132.A O no hydrogen 2.965 N/A GLN 131.A NE2 THR 133.A O no hydrogen 3.230 N/A THR 133.A N ASP 32.A OD2 no hydrogen 3.009 N/A ARG 135.A NH1 GLU 157.A OE1 no hydrogen 3.218 N/A ARG 135.A NH2 GLU 157.A OE1 no hydrogen 2.672 N/A ARG 136.A NH1 ASN 181.A OD1 no hydrogen 3.097 N/A ARG 136.A NH2 GLY 116.A O no hydrogen 2.923 N/A ARG 137.A N TYR 175.A O no hydrogen 2.930 N/A ARG 137.A NE ASP 155.A OD1 no hydrogen 3.037 N/A ARG 137.A NH1 TYR 175.A OH no hydrogen 2.638 N/A ARG 137.A NH2 ASP 155.A OD2 no hydrogen 2.636 N/A TRP 138.A N GLU 156.A O no hydrogen 2.885 N/A TRP 138.A NE1 ASN 181.A OD1 no hydrogen 3.120 N/A ARG 139.A N GLU 173.A O no hydrogen 2.734 N/A VAL 140.A N ILE 154.A O no hydrogen 2.944 N/A GLY 141.A N PRO 171.A O no hydrogen 2.888 N/A VAL 147.A N PRO 120.A O no hydrogen 3.168 N/A ILE 153.A N VAL 140.A O no hydrogen 2.741 N/A ILE 154.A N VAL 140.A O no hydrogen 3.196 N/A GLU 156.A N TRP 138.A O no hydrogen 3.076 N/A LEU 158.A N ARG 136.A O no hydrogen 2.848 N/A GLU 159.A N ASP 162.A OD2 no hydrogen 2.746 N/A GLY 161.A N GLN 131.A O no hydrogen 2.749 N/A ASP 162.A N GLU 159.A O no hydrogen 2.848 N/A ILE 163.A N LEU 23.A O no hydrogen 2.971 N/A LEU 164.A N ILE 129.A O no hydrogen 2.770 N/A TYR 165.A N VAL 21.A O no hydrogen 2.844 N/A TYR 165.A OH ASP 126.A OD1 no hydrogen 2.743 N/A ILE 166.A N VAL 127.A O no hydrogen 2.961 N/A GLY 169.A N ASP 123.A O no hydrogen 3.354 N/A HIS 172.A N HIS 121.A O no hydrogen 2.958 N/A HIS 172.A ND1 PHE 170.A O no hydrogen 3.129 N/A GLU 173.A N ARG 139.A O no hydrogen 2.921 N/A TYR 175.A N ARG 137.A O no hydrogen 3.113 N/A ALA 176.A N GLY 116.A O no hydrogen 3.168 N/A LEU 177.A N ARG 135.A O no hydrogen 2.799 N/A GLU 178.A N ARG 135.A O no hydrogen 3.480 N/A ALA 180.A N SER 112.A O no hydrogen 2.885 N/A ASN 181.A ND2 GLN 131.A OE1 no hydrogen 3.242 N/A TYR 182.A N ILE 130.A O no hydrogen 2.964 N/A TYR 182.A OH ASP 32.A OD2 no hydrogen 2.965 N/A VAL 184.A N PHE 128.A O no hydrogen 2.851 N/A GLY 185.A N ASP 107.A O no hydrogen 3.062 N/A PHE 186.A N ASP 126.A O no hydrogen 3.141 N/A ARG 187.A N ARG 104.A O no hydrogen 2.801 N/A ARG 187.A NH1 GLN 255.A O no hydrogen 3.053 N/A GLU 193.A N ASN 190.A OD1 no hydrogen 2.862 N/A LEU 194.A N ASN 190.A O no hydrogen 3.159 N/A ILE 195.A N THR 191.A O no hydrogen 2.771 N/A SER 196.A N ARG 192.A O no hydrogen 2.961 N/A SER 196.A OG ARG 192.A O no hydrogen 3.318 N/A GLY 197.A N GLU 193.A O no hydrogen 3.098 N/A PHE 198.A N LEU 194.A O no hydrogen 2.888 N/A ALA 199.A N ILE 195.A O no hydrogen 3.143 N/A ASP 200.A N SER 196.A O no hydrogen 3.173 N/A TYR 201.A N GLY 197.A O no hydrogen 3.259 N/A VAL 202.A N PHE 198.A O no hydrogen 2.957 N/A LEU 203.A N ALA 199.A O no hydrogen 2.751 N/A GLN 204.A N ASP 200.A O no hydrogen 2.733 N/A ARG 205.A N TYR 201.A O no hydrogen 2.868 N/A GLU 206.A N LEU 203.A O no hydrogen 3.356 N/A LEU 207.A N VAL 202.A O no hydrogen 3.003 N/A ARG 220.A NH1 ASP 225.A O no hydrogen 3.004 N/A ARG 220.A NH1 GLU 230.A OE1 no hydrogen 3.385 N/A ARG 220.A NH1 GLU 230.A OE2 no hydrogen 2.886 N/A ARG 220.A NH2 PRO 218.A O no hydrogen 3.062 N/A ARG 220.A NH2 GLU 230.A OE1 no hydrogen 2.691 N/A ASP 225.A N HIS 222.A O no hydrogen 2.900 N/A LEU 227.A N GLU 230.A OE2 no hydrogen 2.955 N/A LYS 232.A N GLN 229.A O no hydrogen 2.946 N/A LYS 232.A NZ SER 213.A O no hydrogen 2.526 N/A LEU 233.A N GLU 230.A O no hydrogen 3.066 N/A ARG 234.A NH2 ASP 231.A OD1 no hydrogen 2.520 N/A GLU 235.A N ASP 231.A O no hydrogen 2.827 N/A GLU 237.A N GLU 235.A O no hydrogen 2.857 N/A ASN 240.A N LEU 236.A O no hydrogen 2.948 N/A GLN 241.A N LEU 238.A O no hydrogen 3.288 N/A GLN 247.A N GLU 243.A O no hydrogen 2.954 N/A TRP 248.A N HIS 244.A O no hydrogen 2.905 N/A PHE 249.A N PHE 245.A O no hydrogen 2.843 N/A GLY 250.A N LYS 246.A O no hydrogen 3.144 N/A GLU 251.A N GLN 247.A O no hydrogen 3.335 N/A PHE 252.A N TRP 248.A O no hydrogen 2.830 N/A ILE 253.A N PHE 249.A O no hydrogen 2.883 N/A SER 254.A N GLY 250.A O no hydrogen 3.256 N/A SER 254.A OG GLY 250.A O no hydrogen 2.862 N/A GLN 255.A N PHE 252.A O no hydrogen 3.095 N/A SER 256.A OG HIS 258.A O no hydrogen 3.249 N/A HIS 258.A N SER 256.A OG no hydrogen 3.390 N/A HIS 258.A ND1 ASP 107.A OD2 no hydrogen 2.984 N/A TYR 269.A N ASN 345.A OD1 no hydrogen 2.659 N/A GLN 270.A N GLU 273.A OE2 no hydrogen 2.947 N/A ILE 274.A N GLN 270.A O no hydrogen 3.280 N/A TYR 275.A N PRO 271.A O no hydrogen 3.217 N/A TYR 275.A OH GLU 333.A OE2 no hydrogen 3.125 N/A ASP 276.A N ASP 272.A O no hydrogen 2.920 N/A ALA 277.A N GLU 273.A O no hydrogen 3.078 N/A LEU 278.A N ILE 274.A O no hydrogen 3.103 N/A LYS 279.A N TYR 275.A O no hydrogen 3.135 N/A GLN 280.A N ASP 276.A O no hydrogen 2.983 N/A GLN 280.A N ALA 277.A O no hydrogen 2.996 N/A GLY 281.A N LEU 278.A O no hydrogen 2.967 N/A GLU 282.A N ALA 277.A O no hydrogen 3.214 N/A VAL 283.A N GLU 352.A OE2 no hydrogen 3.063 N/A LEU 284.A N LEU 323.A O no hydrogen 2.878 N/A VAL 285.A N PHE 350.A O no hydrogen 2.766 N/A ARG 286.A N ILE 321.A O no hydrogen 2.918 N/A ARG 286.A NH1 LEU 290.A O no hydrogen 3.071 N/A ARG 286.A NH2 LEU 317.A O no hydrogen 3.211 N/A ARG 286.A NH2 ALA 318.A O no hydrogen 2.938 N/A LEU 287.A N TYR 348.A O no hydrogen 2.927 N/A LEU 290.A N LEU 287.A O no hydrogen 3.223 N/A ARG 291.A NE ILE 253.A O no hydrogen 2.653 N/A ARG 291.A NH1 ASP 102.A O no hydrogen 3.509 N/A ARG 291.A NH1 ILE 105.A O no hydrogen 2.606 N/A ARG 291.A NH2 TRP 103.A O no hydrogen 2.722 N/A ARG 291.A NH2 ILE 253.A O no hydrogen 3.078 N/A LEU 293.A N TYR 300.A O no hydrogen 2.959 N/A ARG 294.A NE.B ASP 315.A OD1 no hydrogen 3.015 N/A ARG 294.A NH1.B GLY 296.A O no hydrogen 3.426 N/A ARG 294.A NH2.B ASP 315.A OD1 no hydrogen 3.398 N/A ILE 295.A N ASP 298.A O no hydrogen 3.061 N/A VAL 299.A N ILE 306.A O no hydrogen 3.462 N/A TYR 300.A N LEU 293.A O no hydrogen 2.797 N/A ALA 301.A N GLU 304.A O no hydrogen 2.926 N/A ASN 302.A N ARG 291.A O no hydrogen 3.293 N/A ASN 302.A ND2 TYR 348.A OH no hydrogen 3.375 N/A GLY 303.A N SER 254.A OG no hydrogen 2.864 N/A GLU 304.A N ALA 301.A O no hydrogen 2.878 N/A ILE 306.A N VAL 299.A O no hydrogen 2.847 N/A HIS 310.A N SER 308.A OG no hydrogen 3.296 N/A HIS 310.A NE2 ASP 334.A OD2 no hydrogen 2.859 N/A LEU 314.A N HIS 310.A O no hydrogen 3.016 N/A ASP 315.A N ARG 311.A O no hydrogen 3.004 N/A ALA 316.A N PRO 312.A O no hydrogen 3.146 N/A LEU 317.A N ALA 313.A O no hydrogen 3.380 N/A ALA 318.A N ASP 315.A O no hydrogen 2.946 N/A SER 319.A N ASP 315.A O no hydrogen 3.152 N/A SER 319.A OG ASP 315.A O no hydrogen 3.476 N/A SER 319.A OG ASN 320.A OD1 no hydrogen 2.727 N/A ASN 320.A N ALA 316.A O no hydrogen 3.044 N/A LEU 323.A N LEU 284.A O no hydrogen 2.804 N/A THR 324.A N ASN 327.A OD1 no hydrogen 2.830 N/A THR 324.A OG1 GLU 326.A OE1 no hydrogen 3.212 N/A THR 324.A OG1 ASN 327.A OD1 no hydrogen 3.120 N/A GLU 326.A N GLU 326.A OE2 no hydrogen 2.724 N/A ASN 327.A N THR 324.A O no hydrogen 2.942 N/A PHE 328.A N ALA 325.A O no hydrogen 2.975 N/A ALA 331.A N PHE 328.A O no hydrogen 3.324 N/A GLU 333.A N ASP 330.A O no hydrogen 3.181 N/A ASP 334.A N ALA 331.A O no hydrogen 3.277 N/A SER 336.A N ASP 334.A OD1 no hydrogen 2.880 N/A LEU 338.A N ASP 334.A O no hydrogen 3.100 N/A ALA 339.A N PRO 335.A O no hydrogen 3.006 N/A ALA 341.A N LEU 338.A O no hydrogen 2.789 N/A ALA 342.A N ALA 339.A O no hydrogen 3.016 N/A VAL 344.A N LEU 340.A O no hydrogen 2.897 N/A ASN 345.A N ALA 341.A O no hydrogen 2.900 N/A ASN 345.A ND2 TYR 269.A O no hydrogen 3.319 N/A SER 346.A N ALA 342.A O no hydrogen 2.894 N/A SER 346.A OG ALA 342.A O no hydrogen 3.540 N/A GLY 347.A N VAL 344.A O no hydrogen 2.879 N/A TYR 348.A N LEU 343.A O no hydrogen 3.142 N/A PHE 350.A N VAL 285.A O no hydrogen 2.954 N/A GLU 352.A N VAL 283.A O no hydrogen 3.201 N/A