Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kej_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 6.A N SER 4.A OG no hydrogen 2.908 N/A TYR 6.A OH GLU 314.A OE1 no hydrogen 3.234 N/A ALA 7.A N ASP 306.A OD1 no hydrogen 2.568 N/A CYS 8.A SG ASP 306.A O no hydrogen 2.990 N/A CYS 8.A SG LEU 307.A O no hydrogen 4.037 N/A GLN 9.A N TYR 6.A O no hydrogen 2.535 N/A GLN 9.A NE2 SER 4.A OG no hydrogen 2.984 N/A ARG 10.A N ALA 7.A O no hydrogen 2.839 N/A ASN 18.A N ASN 16.A OD1 no hydrogen 2.708 N/A ASN 18.A ND2 PHE 56.A O no hydrogen 3.398 N/A THR 22.A N ASN 18.A O no hydrogen 2.983 N/A THR 22.A OG1 SER 48.A O no hydrogen 3.233 N/A ASP 23.A N GLN 19.A O no hydrogen 2.823 N/A ALA 24.A N LEU 20.A O no hydrogen 3.222 N/A LEU 25.A N PHE 21.A O no hydrogen 2.892 N/A ASP 26.A N THR 22.A O no hydrogen 2.919 N/A ILE 27.A N ASP 23.A O no hydrogen 3.158 N/A LEU 28.A N ALA 24.A O no hydrogen 3.499 N/A ALA 29.A N LEU 25.A O no hydrogen 2.707 N/A GLU 30.A N ASP 26.A O no hydrogen 2.792 N/A ASN 31.A N ILE 27.A O no hydrogen 2.706 N/A ASP 32.A N LEU 28.A O no hydrogen 2.940 N/A GLU 33.A N ALA 29.A O no hydrogen 3.102 N/A LEU 34.A N GLU 30.A O no hydrogen 3.224 N/A LEU 34.A N ASN 31.A O no hydrogen 2.838 N/A ARG 35.A N ASN 31.A O no hydrogen 2.733 N/A ASN 37.A N ASP 32.A O no hydrogen 2.995 N/A CYS 41.A SG ALA 29.A O no hydrogen 3.335 N/A LEU 42.A N GLY 39.A O no hydrogen 2.895 N/A ALA 43.A N SER 40.A O no hydrogen 2.893 N/A PHE 44.A N SER 40.A O no hydrogen 3.064 N/A MET 45.A N CYS 41.A O no hydrogen 3.333 N/A ARG 46.A N LEU 42.A O no hydrogen 3.326 N/A ALA 47.A N PHE 44.A O no hydrogen 2.880 N/A SER 48.A N PHE 44.A O no hydrogen 2.650 N/A SER 48.A OG THR 22.A O no hydrogen 3.446 N/A SER 48.A OG ASP 26.A OD1 no hydrogen 2.679 N/A SER 49.A N MET 45.A O no hydrogen 2.562 N/A VAL 50.A N ARG 46.A O no hydrogen 3.332 N/A LEU 51.A N ALA 47.A O no hydrogen 3.170 N/A LYS 52.A N SER 48.A O no hydrogen 3.431 N/A LYS 52.A N SER 49.A O no hydrogen 2.792 N/A SER 53.A N VAL 50.A O no hydrogen 2.661 N/A THR 59.A OG1 ASP 63.A OD1 no hydrogen 3.479 N/A SER 60.A OG ASP 63.A OD1 no hydrogen 2.556 N/A LYS 62.A N SER 60.A OG no hydrogen 3.264 N/A ASP 63.A N SER 60.A O no hydrogen 3.135 N/A THR 64.A OG1 MET 61.A O no hydrogen 2.828 N/A GLU 65.A N LYS 62.A O no hydrogen 3.277 N/A VAL 74.A N GLY 71.A O no hydrogen 2.963 N/A LYS 75.A N GLY 71.A O no hydrogen 3.302 N/A SER 76.A OG LYS 73.A O no hydrogen 3.155 N/A ILE 77.A N VAL 74.A O no hydrogen 2.614 N/A ILE 78.A N VAL 74.A O no hydrogen 3.020 N/A ILE 78.A N LYS 75.A O no hydrogen 2.743 N/A GLU 79.A N LYS 75.A O no hydrogen 2.595 N/A GLY 80.A N SER 76.A O no hydrogen 3.478 N/A ILE 81.A N ILE 78.A O no hydrogen 2.722 N/A ILE 82.A N ILE 78.A O no hydrogen 3.088 N/A GLU 83.A N GLU 79.A O no hydrogen 3.283 N/A ASP 84.A N ILE 81.A O no hydrogen 3.070 N/A GLY 85.A N ILE 81.A O no hydrogen 2.669 N/A SER 87.A OG GLU 89.A OE2 no hydrogen 2.669 N/A SER 88.A OG GLU 89.A OE2 no hydrogen 3.214 N/A GLU 89.A N GLU 89.A OE2 no hydrogen 2.552 N/A ALA 90.A N SER 87.A OG no hydrogen 3.326 N/A LYS 91.A N SER 87.A O no hydrogen 2.557 N/A ALA 92.A N GLU 89.A O no hydrogen 2.946 N/A VAL 93.A N GLU 89.A O no hydrogen 2.968 N/A LEU 94.A N ALA 90.A O no hydrogen 3.122 N/A ASN 95.A N ALA 92.A O no hydrogen 2.882 N/A ASN 95.A ND2 LYS 91.A O no hydrogen 2.974 N/A ASP 96.A N VAL 93.A O no hydrogen 2.748 N/A ARG 98.A N ASP 96.A OD2 no hydrogen 2.979 N/A TYR 99.A OH GLU 30.A OE2 no hydrogen 3.120 N/A LYS 100.A N ASP 96.A O no hydrogen 3.080 N/A LYS 100.A NZ GLU 97.A OE1 no hydrogen 3.196 N/A SER 101.A N GLU 97.A O no hydrogen 3.449 N/A SER 101.A OG GLU 97.A O no hydrogen 3.287 N/A PHE 102.A N ARG 98.A O no hydrogen 3.019 N/A LYS 103.A N TYR 99.A O no hydrogen 2.926 N/A LYS 103.A NZ TYR 99.A OH no hydrogen 3.234 N/A LEU 104.A N SER 101.A O no hydrogen 2.597 N/A PHE 105.A N SER 101.A O no hydrogen 2.716 N/A PHE 105.A N PHE 102.A O no hydrogen 3.124 N/A THR 106.A N PHE 102.A O no hydrogen 2.968 N/A THR 106.A OG1 PHE 102.A O no hydrogen 2.558 N/A SER 107.A OG LEU 104.A O no hydrogen 2.592 N/A SER 107.A OG TYR 149.A OH no hydrogen 2.926 N/A VAL 108.A N PHE 105.A O no hydrogen 2.609 N/A VAL 111.A N VAL 108.A O no hydrogen 2.920 N/A ALA 116.A N GLY 112.A O no hydrogen 2.865 N/A ARG 121.A N GLU 117.A O no hydrogen 3.167 N/A MET 122.A N LYS 118.A O no hydrogen 3.210 N/A GLY 123.A N TRP 119.A O no hydrogen 3.095 N/A GLY 123.A N PHE 120.A O no hydrogen 3.119 N/A PHE 124.A N TRP 119.A O no hydrogen 3.369 N/A ARG 125.A NE PHE 124.A O no hydrogen 2.568 N/A ARG 125.A NH2 PHE 120.A O no hydrogen 2.656 N/A LYS 129.A N THR 126.A O no hydrogen 3.336 N/A LYS 129.A N THR 126.A OG1 no hydrogen 3.304 N/A SER 132.A OG SER 128.A O no hydrogen 2.775 N/A LYS 134.A NZ SER 132.A O no hydrogen 3.145 N/A SER 135.A N ASP 133.A O no hydrogen 2.781 N/A SER 135.A OG ASP 133.A OD2 no hydrogen 2.645 N/A THR 139.A N GLN 142.A OE1 no hydrogen 2.761 N/A THR 139.A OG1 GLN 142.A OE1 no hydrogen 2.812 N/A GLN 142.A N THR 139.A O no hydrogen 2.839 N/A GLN 142.A NE2 GLY 110.A O no hydrogen 3.372 N/A LYS 143.A N THR 139.A O no hydrogen 2.736 N/A ALA 144.A N GLN 140.A O no hydrogen 2.787 N/A GLY 145.A N MET 141.A O no hydrogen 3.338 N/A PHE 146.A N LYS 143.A O no hydrogen 3.144 N/A LEU 147.A N LYS 143.A O no hydrogen 2.663 N/A TYR 148.A N ALA 144.A O no hydrogen 3.201 N/A TYR 149.A N PHE 146.A O no hydrogen 3.047 N/A TYR 149.A OH SER 107.A OG no hydrogen 2.926 N/A LEU 152.A N TYR 148.A O no hydrogen 3.031 N/A VAL 153.A N TYR 149.A O no hydrogen 2.853 N/A SER 154.A N GLU 150.A O no hydrogen 3.041 N/A CYS 155.A SG VAL 153.A O no hydrogen 3.908 N/A CYS 155.A SG HIS 195.A ND1 no hydrogen 3.947 N/A VAL 156.A N GLY 194.A O no hydrogen 3.357 N/A ASN 157.A N GLU 160.A OE2 no hydrogen 3.020 N/A ARG 158.A NH2 PHE 187.A O no hydrogen 2.702 N/A GLU 160.A N ASN 157.A O no hydrogen 3.264 N/A ALA 161.A N ASN 157.A O no hydrogen 2.932 N/A GLU 162.A N ARG 158.A O no hydrogen 2.649 N/A ALA 163.A N PRO 159.A O no hydrogen 3.290 N/A VAL 164.A N GLU 160.A O no hydrogen 3.109 N/A VAL 164.A N ALA 161.A O no hydrogen 2.780 N/A SER 165.A N ALA 161.A O no hydrogen 2.905 N/A MET 166.A N GLU 162.A O no hydrogen 3.210 N/A LEU 167.A N ALA 163.A O no hydrogen 3.281 N/A VAL 168.A N VAL 164.A O no hydrogen 2.689 N/A LYS 169.A N SER 165.A O no hydrogen 2.842 N/A GLU 170.A N MET 166.A O no hydrogen 2.734 N/A ALA 171.A N VAL 168.A O no hydrogen 3.023 N/A VAL 172.A N VAL 168.A O no hydrogen 2.742 N/A VAL 173.A N LYS 169.A O no hydrogen 2.769 N/A THR 174.A N ALA 171.A O no hydrogen 2.683 N/A THR 174.A OG1 ALA 171.A O no hydrogen 2.434 N/A PHE 175.A N VAL 172.A O no hydrogen 2.981 N/A LEU 176.A N VAL 173.A O no hydrogen 3.225 N/A ALA 179.A N LEU 176.A O no hydrogen 2.651 N/A LEU 180.A N THR 202.A O no hydrogen 2.653 N/A THR 182.A N LEU 200.A O no hydrogen 2.995 N/A THR 184.A N ASP 198.A O no hydrogen 2.792 N/A THR 184.A OG1 TRP 297.A O no hydrogen 2.756 N/A ARG 188.A N GLY 185.A O no hydrogen 3.062 N/A ARG 188.A NH2 GLU 338.A OE1 no hydrogen 3.132 N/A ARG 188.A NH2 GLU 338.A OE2 no hydrogen 3.348 N/A ARG 189.A N GLY 186.A O no hydrogen 2.557 N/A ARG 189.A NE ASN 356.A OD1 no hydrogen 3.078 N/A ARG 189.A NH1 THR 298.A O no hydrogen 3.014 N/A GLY 190.A N PHE 187.A O no hydrogen 3.232 N/A LYS 191.A N GLY 186.A O no hydrogen 3.520 N/A THR 193.A OG1 VAL 156.A O no hydrogen 2.437 N/A GLY 194.A N VAL 156.A O no hydrogen 3.022 N/A VAL 197.A N ARG 279.A O no hydrogen 3.183 N/A LEU 200.A N THR 182.A O no hydrogen 3.184 N/A ILE 201.A N VAL 283.A O no hydrogen 2.635 N/A THR 202.A N LEU 180.A O no hydrogen 3.107 N/A THR 202.A OG1 CYS 285.A O no hydrogen 2.932 N/A SER 203.A OG ASP 178.A OD2 no hydrogen 2.926 N/A SER 203.A OG GLU 205.A O no hydrogen 3.431 N/A THR 207.A N GLU 210.A OE1 no hydrogen 2.673 N/A ASP 209.A N THR 207.A OG1 no hydrogen 3.222 N/A GLU 210.A N THR 207.A OG1 no hydrogen 2.995 N/A GLN 213.A N GLU 211.A O no hydrogen 2.631 N/A GLN 213.A NE2 GLN 212.A O no hydrogen 2.968 N/A LEU 214.A N GLU 211.A O no hydrogen 3.294 N/A HIS 216.A N GLN 213.A O no hydrogen 3.255 N/A HIS 216.A NE2 GLU 235.A OE1 no hydrogen 2.719 N/A LYS 217.A N GLN 213.A O no hydrogen 3.121 N/A VAL 218.A N LEU 214.A O no hydrogen 3.041 N/A THR 219.A OG1 LEU 215.A O no hydrogen 2.485 N/A ASP 220.A N HIS 216.A O no hydrogen 2.615 N/A PHE 221.A N LYS 217.A O no hydrogen 2.689 N/A TRP 222.A N VAL 218.A O no hydrogen 3.204 N/A LYS 223.A N THR 219.A O no hydrogen 3.005 N/A LYS 223.A NZ ASP 220.A OD2 no hydrogen 3.318 N/A GLN 224.A N ASP 220.A O no hydrogen 2.696 N/A GLN 225.A N TRP 222.A O no hydrogen 2.703 N/A GLN 225.A NE2 PHE 221.A O no hydrogen 3.445 N/A GLY 226.A N TRP 222.A O no hydrogen 2.749 N/A LEU 229.A N ILE 257.A O no hydrogen 2.818 N/A LEU 234.A N LYS 253.A O no hydrogen 2.869 N/A SER 236.A OG HIS 250.A O no hydrogen 3.410 N/A THR 237.A N HIS 250.A O no hydrogen 2.743 N/A THR 237.A OG1 LEU 248.A O no hydrogen 3.161 N/A PHE 238.A N HIS 250.A O no hydrogen 2.961 N/A HIS 250.A N THR 237.A OG1 no hydrogen 2.886 N/A HIS 250.A ND1 PHE 251.A O no hydrogen 2.640 N/A LYS 253.A N LEU 234.A O no hydrogen 3.217 N/A CYS 254.A N LEU 282.A O no hydrogen 2.882 N/A CYS 254.A SG PHE 255.A O no hydrogen 3.669 N/A LEU 256.A N VAL 280.A O no hydrogen 2.795 N/A LEU 258.A N ILE 278.A O no hydrogen 2.824 N/A LYS 259.A N LEU 227.A O no hydrogen 2.804 N/A LEU 260.A N LYS 276.A O no hydrogen 3.213 N/A HIS 262.A N GLY 274.A O no hydrogen 2.481 N/A ARG 264.A N ASP 261.A O no hydrogen 2.900 N/A VAL 265.A N HIS 262.A O no hydrogen 3.099 N/A LYS 269.A N SER 267.A O no hydrogen 2.701 N/A LYS 276.A NZ SER 154.A O no hydrogen 3.538 N/A LYS 276.A NZ CYS 155.A O no hydrogen 2.626 N/A LYS 276.A NZ GLU 160.A OE1 no hydrogen 3.111 N/A LYS 276.A NZ GLU 160.A OE2 no hydrogen 3.267 N/A ILE 278.A N LEU 258.A O no hydrogen 2.812 N/A ARG 279.A NH2 ASP 196.A OD2 no hydrogen 3.158 N/A VAL 280.A N LEU 256.A O no hydrogen 3.183 N/A ASP 281.A N VAL 197.A O no hydrogen 3.204 N/A MET 284.A N GLN 252.A O no hydrogen 3.006 N/A CYS 285.A N ILE 201.A O no hydrogen 3.257 N/A CYS 285.A SG PRO 286.A O no hydrogen 3.980 N/A ARG 289.A N PRO 286.A O no hydrogen 2.771 N/A ARG 290.A N TYR 287.A O no hydrogen 3.244 N/A ARG 290.A NH1 TYR 287.A O no hydrogen 3.535 N/A PHE 292.A N ARG 289.A O no hydrogen 3.341 N/A ALA 293.A N ARG 289.A O no hydrogen 3.200 N/A LEU 294.A N ARG 290.A O no hydrogen 2.954 N/A GLY 296.A N PHE 292.A O no hydrogen 2.507 N/A TRP 297.A N ALA 293.A O no hydrogen 2.585 N/A THR 298.A N LEU 295.A O no hydrogen 3.234 N/A SER 300.A OG ALA 357.A OXT no hydrogen 2.933 N/A GLU 304.A N SER 300.A O no hydrogen 2.696 N/A ARG 305.A N ARG 301.A O no hydrogen 3.134 N/A ARG 305.A NE GLN 302.A OE1 no hydrogen 3.436 N/A ASP 306.A N GLN 302.A O no hydrogen 3.119 N/A LEU 307.A N PHE 303.A O no hydrogen 2.755 N/A ARG 308.A N GLU 304.A O no hydrogen 3.243 N/A ARG 309.A N ARG 305.A O no hydrogen 2.952 N/A TYR 310.A N ASP 306.A O no hydrogen 2.945 N/A TYR 310.A N LEU 307.A O no hydrogen 2.820 N/A TYR 310.A OH LEU 345.A O no hydrogen 3.389 N/A ALA 311.A N LEU 307.A O no hydrogen 2.826 N/A THR 312.A N ARG 308.A O no hydrogen 2.914 N/A THR 312.A OG1 ARG 308.A O no hydrogen 3.165 N/A THR 312.A OG1 MET 317.A O no hydrogen 3.554 N/A GLU 314.A N TYR 310.A O no hydrogen 2.709 N/A ARG 315.A N ALA 311.A O no hydrogen 3.093 N/A ARG 315.A N THR 312.A O no hydrogen 3.208 N/A ARG 315.A NE LEU 345.A O no hydrogen 3.105 N/A LYS 316.A N THR 312.A O no hydrogen 2.953 N/A MET 317.A N ALA 311.A O no hydrogen 3.071 N/A MET 318.A N TYR 325.A O no hydrogen 2.698 N/A ASP 320.A N ALA 323.A O no hydrogen 3.152 N/A ASN 321.A N ASP 320.A OD1 no hydrogen 2.796 N/A ASP 326.A N VAL 331.A O no hydrogen 3.050 N/A ARG 327.A N LYS 316.A O no hydrogen 3.273 N/A THR 328.A N ASP 326.A OD1 no hydrogen 3.220 N/A THR 328.A OG1 ASP 326.A OD1 no hydrogen 2.691 N/A VAL 331.A N ASP 326.A O no hydrogen 3.434 N/A GLU 336.A N GLU 340.A OE2 no hydrogen 2.772 N/A GLU 340.A N SER 337.A OG no hydrogen 3.385 N/A ILE 341.A N SER 337.A O no hydrogen 3.305 N/A PHE 342.A N GLU 338.A O no hydrogen 3.160 N/A ALA 343.A N GLU 339.A O no hydrogen 3.372 N/A HIS 344.A N GLU 340.A O no hydrogen 2.911 N/A LEU 345.A N ILE 341.A O no hydrogen 2.876 N/A GLY 346.A N ALA 343.A O no hydrogen 3.301 N/A LEU 347.A N PHE 342.A O no hydrogen 2.607 N/A TYR 349.A OH GLU 338.A OE1 no hydrogen 3.311 N/A TYR 349.A OH GLU 351.A OE2 no hydrogen 3.148 N/A GLU 354.A N GLU 351.A O no hydrogen 2.656 N/A ARG 355.A N PRO 352.A O no hydrogen 3.198 N/A ARG 355.A NE ILE 350.A O no hydrogen 3.011 N/A ARG 355.A NH1 GLU 338.A OE2 no hydrogen 3.296 N/A ARG 355.A NH2 GLU 338.A OE1 no hydrogen 2.984 N/A ARG 355.A NH2 ILE 350.A O no hydrogen 3.197 N/A ASN 356.A N THR 12.A O no hydrogen 2.873 N/A ASN 356.A ND2 ARG 189.A O no hydrogen 2.958 N/A ASN 356.A ND2 TRP 353.A O no hydrogen 2.943 N/A