Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1jbq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 6.A N ARG 3.A O no hydrogen 3.381 N/A CYS 10.A N SER 8.A OG no hydrogen 3.314 N/A TRP 12.A NE1 GLU 221.A OE2 no hydrogen 2.965 N/A ARG 16.A N GLN 13.A O no hydrogen 3.012 N/A ARG 16.A NE GLU 20.A OE1 no hydrogen 2.617 N/A GLU 20.A N PRO 17.A O no hydrogen 3.242 N/A SER 21.A N ALA 18.A O no hydrogen 2.972 N/A SER 21.A OG HIS 25.A NE2 no hydrogen 2.716 N/A HIS 23.A N SER 21.A OG no hydrogen 2.906 N/A HIS 25.A ND1 ASP 185.A OD1 no hydrogen 3.067 N/A HIS 25.A NE2 SER 21.A OG no hydrogen 2.716 N/A THR 26.A N ASP 185.A OD2 no hydrogen 2.904 N/A SER 31.A OG PRO 32.A O no hydrogen 3.294 N/A LYS 40.A N ASP 37.A O no hydrogen 3.202 N/A LYS 41.A N ILE 38.A O no hydrogen 2.598 N/A LYS 41.A NZ PHE 70.A O no hydrogen 3.153 N/A GLY 43.A N ASN 71.A OD1 no hydrogen 2.585 N/A ASP 44.A N GLU 190.A OE1 no hydrogen 2.822 N/A THR 45.A N GLU 190.A OE2 no hydrogen 3.367 N/A THR 45.A OG1 GLU 68.A OE1 no hydrogen 3.534 N/A THR 45.A OG1 GLU 68.A OE2 no hydrogen 3.268 N/A VAL 48.A N ALA 65.A O no hydrogen 2.847 N/A ARG 49.A NH1 ASN 51.A OD1 no hydrogen 3.282 N/A ILE 50.A N LEU 63.A O no hydrogen 2.919 N/A ASN 51.A N GLU 293.A OE1 no hydrogen 2.737 N/A LYS 52.A N GLU 293.A OE2 no hydrogen 2.667 N/A LYS 52.A NZ GLN 292.A O no hydrogen 3.543 N/A ILE 53.A N GLU 293.A OE2 no hydrogen 3.063 N/A LYS 56.A N LYS 52.A O no hydrogen 2.824 N/A PHE 57.A N GLY 54.A O no hydrogen 3.128 N/A GLY 58.A N LYS 55.A O no hydrogen 3.016 N/A LEU 59.A N GLY 54.A O no hydrogen 3.085 N/A CYS 61.A SG GLU 62.A O no hydrogen 3.928 N/A CYS 61.A SG ALA 312.A O no hydrogen 4.033 N/A GLU 62.A N GLN 319.A O no hydrogen 2.962 N/A LEU 64.A N CYS 321.A O no hydrogen 2.794 N/A ALA 65.A N VAL 48.A O no hydrogen 2.629 N/A LYS 66.A N VAL 323.A O no hydrogen 2.819 N/A LYS 66.A NZ THR 45.A O no hydrogen 2.961 N/A LYS 66.A NZ THR 45.A OG1 no hydrogen 2.878 N/A LYS 66.A NZ GLU 190.A OE2 no hydrogen 2.875 N/A LYS 66.A NZ GLN 194.A OE1 no hydrogen 3.102 N/A CYS 67.A N PRO 46.A O no hydrogen 3.082 N/A CYS 67.A SG PRO 46.A O no hydrogen 4.043 N/A CYS 67.A SG ALA 65.A O no hydrogen 3.548 N/A GLU 68.A N LEU 325.A O no hydrogen 2.899 N/A ASN 71.A N GLU 68.A O no hydrogen 3.267 N/A ASN 71.A ND2 SER 75.A O no hydrogen 2.986 N/A ALA 72.A N LYS 41.A O no hydrogen 2.851 N/A GLY 73.A N ASP 78.A OD2 no hydrogen 2.630 N/A GLY 74.A N ASN 71.A O no hydrogen 2.641 N/A SER 75.A N ASP 78.A OD2 no hydrogen 3.505 N/A SER 75.A OG ASP 78.A OD1 no hydrogen 3.453 N/A VAL 76.A N PRO 326.A O no hydrogen 2.818 N/A LYS 77.A N SER 75.A OG no hydrogen 3.322 N/A ASP 78.A N SER 75.A O no hydrogen 3.262 N/A ARG 79.A N VAL 76.A O no hydrogen 3.325 N/A ARG 79.A NE GLU 68.A OE2 no hydrogen 2.559 N/A ARG 79.A NH1 GLU 190.A OE1 no hydrogen 3.109 N/A ARG 79.A NH2 GLU 68.A OE2 no hydrogen 2.807 N/A ARG 79.A NH2 GLU 190.A OE1 no hydrogen 3.384 N/A ARG 79.A NH2 GLU 190.A OE2 no hydrogen 2.705 N/A SER 81.A N LYS 77.A O no hydrogen 2.927 N/A SER 81.A OG LYS 77.A O no hydrogen 2.800 N/A LEU 82.A N ASP 78.A O no hydrogen 3.163 N/A ARG 83.A N ARG 79.A O no hydrogen 2.887 N/A ARG 83.A NE ASP 87.A OD1 no hydrogen 3.145 N/A ARG 83.A NE ASP 87.A OD2 no hydrogen 3.177 N/A ARG 83.A NH1 ASP 185.A OD2 no hydrogen 3.171 N/A ARG 83.A NH2 ASP 185.A OD2 no hydrogen 2.988 N/A MET 84.A N ILE 80.A O no hydrogen 2.818 N/A ILE 85.A N SER 81.A O no hydrogen 2.969 N/A GLU 86.A N LEU 82.A O no hydrogen 2.696 N/A ASP 87.A N ARG 83.A O no hydrogen 2.910 N/A ALA 88.A N MET 84.A O no hydrogen 3.241 N/A GLU 89.A N ILE 85.A O no hydrogen 3.043 N/A GLU 89.A N GLU 86.A O no hydrogen 3.161 N/A ARG 90.A N GLU 86.A O no hydrogen 2.930 N/A ASP 91.A N ASP 87.A O no hydrogen 2.897 N/A GLY 92.A N GLU 89.A O no hydrogen 3.108 N/A LEU 94.A N ALA 88.A O no hydrogen 2.855 N/A LYS 95.A N ASP 98.A OD2 no hydrogen 2.829 N/A LYS 95.A NZ ASP 98.A OD2 no hydrogen 2.832 N/A LYS 95.A NZ ASN 167.A OD1 no hydrogen 3.019 N/A ASP 98.A N LYS 95.A O no hydrogen 2.873 N/A THR 99.A N ASN 167.A O no hydrogen 2.845 N/A ILE 100.A N ARG 122.A O no hydrogen 2.723 N/A ILE 101.A N HIS 169.A O no hydrogen 2.887 N/A GLU 102.A N ILE 124.A O no hydrogen 2.928 N/A THR 104.A OG1 GLN 173.A OE1 no hydrogen 3.362 N/A GLY 106.A N THR 104.A OG1 no hydrogen 3.321 N/A ASN 107.A ND2 ASP 327.A OD1 no hydrogen 3.277 N/A GLY 109.A N GLY 106.A O no hydrogen 3.146 N/A GLY 111.A N ASN 107.A O no hydrogen 2.818 N/A LEU 112.A N THR 108.A O no hydrogen 2.908 N/A ALA 113.A N GLY 109.A O no hydrogen 3.017 N/A LEU 114.A N ILE 110.A O no hydrogen 2.909 N/A ALA 115.A N GLY 111.A O no hydrogen 3.044 N/A ALA 116.A N LEU 112.A O no hydrogen 2.692 N/A ALA 117.A N ALA 113.A O no hydrogen 2.977 N/A VAL 118.A N LEU 114.A O no hydrogen 3.206 N/A ARG 119.A N ALA 115.A O no hydrogen 3.000 N/A ARG 119.A NH2 GLU 89.A OE2 no hydrogen 3.545 N/A GLY 120.A N ALA 116.A O no hydrogen 2.774 N/A TYR 121.A N ALA 116.A O no hydrogen 2.940 N/A TYR 121.A OH GLU 89.A OE1 no hydrogen 2.566 N/A ARG 122.A N ASP 98.A O no hydrogen 3.032 N/A ARG 122.A NE GLU 145.A OE1 no hydrogen 2.982 N/A ARG 122.A NH2 GLU 145.A OE1 no hydrogen 3.288 N/A ARG 122.A NH2 GLU 145.A OE2 no hydrogen 2.817 N/A CYS 123.A SG ILE 100.A O no hydrogen 4.007 N/A ILE 124.A N ILE 100.A O no hydrogen 2.856 N/A ILE 125.A N GLU 145.A O no hydrogen 2.763 N/A VAL 126.A N GLU 102.A O no hydrogen 2.858 N/A MET 127.A N VAL 147.A O no hydrogen 3.109 N/A LYS 135.A NZ SER 105.A O no hydrogen 3.142 N/A LYS 135.A NZ GLU 255.A OE2 no hydrogen 2.676 N/A VAL 136.A N SER 132.A O no hydrogen 3.180 N/A ASP 137.A N SER 133.A O no hydrogen 2.887 N/A LEU 139.A N LYS 135.A O no hydrogen 3.030 N/A ARG 140.A N VAL 136.A O no hydrogen 2.966 N/A ALA 141.A N ASP 137.A O no hydrogen 3.009 N/A LEU 142.A N VAL 138.A O no hydrogen 3.050 N/A LEU 142.A N LEU 139.A O no hydrogen 3.022 N/A GLY 143.A N ARG 140.A O no hydrogen 3.150 N/A ALA 144.A N LEU 139.A O no hydrogen 3.054 N/A GLU 145.A N CYS 123.A O no hydrogen 2.799 N/A VAL 147.A N ILE 125.A O no hydrogen 2.907 N/A ARG 148.A NH2 GLU 129.A O no hydrogen 3.040 N/A THR 149.A N MET 127.A O no hydrogen 3.217 N/A VAL 157.A N SER 153.A O no hydrogen 3.269 N/A ALA 158.A N HIS 154.A O no hydrogen 2.945 N/A TRP 159.A N VAL 155.A O no hydrogen 3.133 N/A ARG 160.A N GLY 156.A O no hydrogen 2.861 N/A LEU 161.A N VAL 157.A O no hydrogen 2.950 N/A LYS 162.A N ALA 158.A O no hydrogen 3.034 N/A ASN 163.A N ARG 160.A O no hydrogen 3.142 N/A GLU 164.A N ARG 160.A O no hydrogen 3.176 N/A GLU 164.A N LEU 161.A O no hydrogen 2.983 N/A ILE 165.A N LEU 161.A O no hydrogen 2.766 N/A SER 168.A OG ILE 165.A O no hydrogen 2.700 N/A HIS 169.A N THR 99.A O no hydrogen 3.018 N/A HIS 169.A NE2 ASP 98.A OD2 no hydrogen 2.976 N/A ASP 172.A N GLU 102.A OE2 no hydrogen 3.303 N/A TYR 174.A N ASP 172.A OD2 no hydrogen 2.973 N/A ARG 175.A N ASP 172.A O no hydrogen 3.350 N/A ASN 176.A N ASP 172.A O no hydrogen 3.029 N/A ASN 176.A ND2 LEU 171.A O no hydrogen 3.426 N/A SER 178.A N ASN 176.A OD1 no hydrogen 2.811 N/A SER 178.A OG ASP 87.A OD1 no hydrogen 2.687 N/A SER 178.A OG ASN 176.A OD1 no hydrogen 2.883 N/A ASN 179.A N ASN 176.A O no hydrogen 2.940 N/A ASN 179.A ND2 GLN 173.A O no hydrogen 3.166 N/A ASN 179.A ND2 THR 208.A OG1 no hydrogen 3.035 N/A LEU 181.A N ALA 177.A O no hydrogen 2.909 N/A ALA 182.A N SER 178.A O no hydrogen 2.970 N/A HIS 183.A ND1 THR 187.A OG1 no hydrogen 2.857 N/A TYR 184.A N PRO 180.A O no hydrogen 2.996 N/A TYR 184.A OH GLU 221.A OE1 no hydrogen 2.554 N/A ASP 185.A N LEU 181.A O no hydrogen 2.822 N/A THR 186.A N ALA 182.A O no hydrogen 2.841 N/A THR 186.A OG1 ALA 182.A O no hydrogen 2.719 N/A THR 187.A OG1 HIS 183.A ND1 no hydrogen 2.857 N/A ALA 188.A N HIS 183.A O no hydrogen 2.736 N/A GLU 190.A N THR 186.A O no hydrogen 2.644 N/A ILE 191.A N THR 187.A O no hydrogen 2.950 N/A LEU 192.A N ALA 188.A O no hydrogen 3.037 N/A GLN 193.A N ASP 189.A O no hydrogen 2.991 N/A GLN 194.A N GLU 190.A O no hydrogen 2.874 N/A GLN 194.A NE2 THR 45.A O no hydrogen 3.032 N/A CYS 195.A N ILE 191.A O no hydrogen 3.130 N/A CYS 195.A N LEU 192.A O no hydrogen 3.061 N/A CYS 195.A SG ILE 191.A O no hydrogen 3.299 N/A ASP 196.A N GLN 193.A O no hydrogen 3.277 N/A GLY 197.A N LEU 192.A O no hydrogen 2.901 N/A LYS 198.A N CYS 195.A O no hydrogen 3.070 N/A ASP 200.A N ARG 320.A O no hydrogen 2.877 N/A LEU 202.A N ARG 227.A O no hydrogen 2.856 N/A VAL 203.A N VAL 322.A O no hydrogen 2.957 N/A ALA 204.A N ILE 229.A O no hydrogen 3.163 N/A SER 205.A OG SER 300.A OG no hydrogen 2.685 N/A VAL 206.A N VAL 231.A O no hydrogen 3.038 N/A GLY 210.A N THR 208.A OG1 no hydrogen 2.994 N/A THR 211.A OG1 HIS 183.A NE2 no hydrogen 3.332 N/A THR 213.A N GLY 209.A O no hydrogen 2.912 N/A THR 213.A OG1 GLY 209.A O no hydrogen 2.635 N/A GLY 214.A N GLY 210.A O no hydrogen 2.753 N/A ILE 215.A N THR 211.A O no hydrogen 2.921 N/A ALA 216.A N ILE 212.A O no hydrogen 2.742 N/A ARG 217.A N THR 213.A O no hydrogen 2.976 N/A ARG 217.A NE ASP 267.A OD1 no hydrogen 2.989 N/A ARG 217.A NH2 ASP 267.A OD1 no hydrogen 2.753 N/A LYS 218.A N GLY 214.A O no hydrogen 3.254 N/A LYS 218.A NZ TYR 184.A O no hydrogen 2.921 N/A LYS 218.A NZ ASP 189.A OD2 no hydrogen 3.484 N/A LEU 219.A N ILE 215.A O no hydrogen 2.831 N/A LYS 220.A N ALA 216.A O no hydrogen 2.946 N/A LYS 220.A NZ ASP 272.A OD1 no hydrogen 3.479 N/A LYS 220.A NZ ASP 272.A OD2 no hydrogen 3.173 N/A LYS 222.A N LYS 218.A O no hydrogen 3.195 N/A CYS 223.A N LEU 219.A O no hydrogen 2.406 N/A CYS 223.A SG LEU 199.A O no hydrogen 3.220 N/A CYS 226.A N CYS 223.A O no hydrogen 3.012 N/A CYS 226.A SG LEU 199.A O no hydrogen 2.975 N/A ARG 227.A N ASP 200.A O no hydrogen 3.095 N/A ARG 227.A NH1 GLU 314.A OE2 no hydrogen 2.655 N/A ILE 228.A N ASP 272.A OD2 no hydrogen 2.845 N/A ILE 229.A N LEU 202.A O no hydrogen 2.757 N/A GLY 230.A N LYS 273.A O no hydrogen 2.875 N/A VAL 231.A N ALA 204.A O no hydrogen 3.016 N/A ASP 232.A N PHE 275.A O no hydrogen 2.845 N/A GLU 234.A N SER 277.A O no hydrogen 2.888 N/A SER 236.A OG ASP 232.A OD1 no hydrogen 3.396 N/A SER 236.A OG ASP 232.A OD2 no hydrogen 2.768 N/A SER 236.A OG TYR 259.A O no hydrogen 3.125 N/A ILE 237.A N TYR 259.A O no hydrogen 3.261 N/A ALA 239.A N ASP 232.A OD1 no hydrogen 2.814 N/A ASN 245.A N GLU 242.A O no hydrogen 2.745 N/A ASN 245.A ND2 ALA 239.A O no hydrogen 2.936 N/A GLN 246.A N GLU 243.A O no hydrogen 2.968 N/A THR 247.A OG1 GLN 246.A O no hydrogen 2.350 N/A TYR 252.A OH ILE 257.A O no hydrogen 2.855 N/A GLU 253.A N ASP 279.A OD1 no hydrogen 2.361 N/A GLU 253.A N ASP 279.A OD2 no hydrogen 3.129 N/A VAL 254.A N ASP 279.A OD2 no hydrogen 3.193 N/A GLY 258.A N VAL 206.A O no hydrogen 2.720 N/A TYR 259.A N SER 236.A OG no hydrogen 2.879 N/A THR 264.A N PRO 4.A O no hydrogen 3.125 N/A VAL 265.A N TYR 174.A O no hydrogen 3.281 N/A LEU 266.A N PRO 263.A O no hydrogen 3.388 N/A ASP 267.A N THR 213.A OG1 no hydrogen 3.087 N/A ARG 268.A NE LEU 238.A O no hydrogen 2.978 N/A ARG 268.A NH2 LEU 238.A O no hydrogen 2.883 N/A THR 269.A N ASP 267.A OD2 no hydrogen 2.931 N/A VAL 270.A N ASP 267.A O no hydrogen 3.324 N/A VAL 271.A N ARG 268.A O no hydrogen 3.332 N/A LYS 273.A N ILE 228.A O no hydrogen 3.270 N/A PHE 275.A N GLY 230.A O no hydrogen 3.004 N/A LYS 276.A NZ ASP 232.A OD1 no hydrogen 2.870 N/A LYS 276.A NZ PRO 233.A O no hydrogen 3.145 N/A LYS 276.A NZ SER 236.A O no hydrogen 2.913 N/A LYS 276.A NZ ASN 245.A OD1 no hydrogen 2.671 N/A SER 277.A N ASP 232.A O no hydrogen 2.995 N/A GLU 281.A N ASN 278.A OD1 no hydrogen 2.708 N/A ALA 282.A N ASN 278.A O no hydrogen 2.944 N/A PHE 283.A N ASP 279.A O no hydrogen 2.832 N/A THR 284.A N GLU 280.A O no hydrogen 3.040 N/A THR 284.A OG1 GLU 280.A O no hydrogen 2.900 N/A THR 284.A OG1 GLU 281.A O no hydrogen 2.707 N/A PHE 285.A N GLU 281.A O no hydrogen 3.119 N/A ALA 286.A N ALA 282.A O no hydrogen 2.927 N/A ARG 287.A N PHE 283.A O no hydrogen 3.012 N/A ARG 287.A NE PHE 336.A O no hydrogen 2.758 N/A ARG 287.A NH1 PHE 336.A O no hydrogen 3.158 N/A ARG 287.A NH1 ASP 339.A OD2 no hydrogen 2.804 N/A MET 288.A N THR 284.A O no hydrogen 3.035 N/A LEU 289.A N PHE 285.A O no hydrogen 2.947 N/A LEU 289.A N ALA 286.A O no hydrogen 3.242 N/A ILE 290.A N ALA 286.A O no hydrogen 3.243 N/A ALA 291.A N ARG 287.A O no hydrogen 3.015 N/A GLN 292.A N MET 288.A O no hydrogen 2.771 N/A GLU 293.A N LEU 289.A O no hydrogen 3.124 N/A LEU 295.A N LEU 289.A O no hydrogen 3.040 N/A CYS 297.A N LEU 295.A O no hydrogen 2.782 N/A CYS 297.A SG LEU 295.A O no hydrogen 3.520 N/A CYS 297.A SG GLY 298.A O no hydrogen 4.015 N/A SER 303.A N GLY 299.A O no hydrogen 3.158 N/A THR 304.A N SER 300.A O no hydrogen 3.026 N/A THR 304.A OG1 SER 300.A O no hydrogen 2.864 N/A VAL 305.A N ALA 301.A O no hydrogen 3.101 N/A ALA 306.A N GLY 302.A O no hydrogen 2.890 N/A VAL 307.A N SER 303.A O no hydrogen 3.256 N/A ALA 308.A N THR 304.A O no hydrogen 3.175 N/A VAL 309.A N VAL 305.A O no hydrogen 3.049 N/A LYS 310.A N VAL 307.A O no hydrogen 2.859 N/A LYS 310.A NZ GLU 281.A OE2 no hydrogen 2.967 N/A ALA 311.A N VAL 307.A O no hydrogen 2.768 N/A ALA 312.A N ALA 308.A O no hydrogen 2.837 N/A GLN 313.A N LYS 310.A O no hydrogen 3.239 N/A GLN 313.A NE2 PHE 57.A O no hydrogen 3.008 N/A GLN 313.A NE2 VAL 309.A O no hydrogen 2.655 N/A LEU 315.A N ALA 312.A O no hydrogen 3.012 N/A GLN 316.A N GLN 319.A OE1 no hydrogen 2.651 N/A GLN 319.A N GLN 316.A O no hydrogen 2.884 N/A ARG 320.A N ASP 200.A OD2 no hydrogen 2.747 N/A ARG 320.A NE LYS 198.A O no hydrogen 3.421 N/A ARG 320.A NH1 GLU 62.A OE1 no hydrogen 3.167 N/A ARG 320.A NH2 LYS 198.A O no hydrogen 3.482 N/A CYS 321.A N GLU 62.A O no hydrogen 2.786 N/A VAL 322.A N MET 201.A O no hydrogen 2.823 N/A VAL 323.A N LEU 64.A O no hydrogen 2.788 N/A ILE 324.A N VAL 203.A O no hydrogen 3.202 N/A LEU 325.A N LYS 66.A O no hydrogen 3.011 N/A SER 328.A N GLY 74.A O no hydrogen 3.128 N/A VAL 329.A N LEU 296.A O no hydrogen 3.092 N/A ARG 330.A N SER 328.A OG no hydrogen 3.043 N/A ARG 330.A NE ASN 331.A OD1 no hydrogen 3.349 N/A ARG 330.A NH1 GLY 73.A O no hydrogen 3.017 N/A ARG 330.A NH2 GLY 73.A O no hydrogen 3.561 N/A ARG 330.A NH2 ASN 331.A OD1 no hydrogen 2.863 N/A TYR 332.A N VAL 329.A O no hydrogen 2.696 N/A TYR 332.A OH ASP 327.A OD1 no hydrogen 2.587 N/A TYR 332.A OH ASP 327.A OD2 no hydrogen 3.346 N/A THR 334.A N GLU 134.A OE2 no hydrogen 3.215 N/A THR 334.A OG1 GLU 134.A OE2 no hydrogen 2.644 N/A LYS 335.A N TYR 332.A O no hydrogen 2.916 N/A LYS 335.A NZ SER 132.A OG no hydrogen 3.131 N/A LYS 335.A NZ GLU 255.A OE1 no hydrogen 2.848 N/A SER 338.A N LYS 335.A O no hydrogen 2.726 N/A ARG 340.A NE SER 338.A OG no hydrogen 3.312 N/A MET 342.A N SER 338.A O no hydrogen 2.905 N/A LEU 343.A N ASP 339.A O no hydrogen 2.671 N/A GLN 344.A N ARG 340.A O no hydrogen 2.917 N/A LYS 345.A N TRP 341.A O no hydrogen 2.880 N/A LYS 345.A NZ GLU 253.A OE2 no hydrogen 2.802 N/A GLY 346.A N LEU 343.A O no hydrogen 2.791 N/A PHE 347.A N MET 342.A O no hydrogen 2.860 N/A LEU 348.A N MET 342.A O no hydrogen 3.079 N/A