Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ijq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A N GLU 34.A O no hydrogen 3.017 N/A THR 4.A N GLU 32.A O no hydrogen 2.876 N/A PHE 6.A N GLN 30.A O no hydrogen 3.010 N/A TYR 8.A N ASP 28.A O no hydrogen 2.625 N/A TYR 8.A OH ASN 312.A O no hydrogen 2.534 N/A LEU 10.A N THR 26.A O no hydrogen 2.960 N/A LYS 11.A N ASN 312.A OD1 no hydrogen 2.883 N/A LYS 11.A NZ GLU 9.A OE2 no hydrogen 2.550 N/A LEU 12.A N THR 24.A O no hydrogen 3.033 N/A ARG 13.A N LEU 309.A O no hydrogen 2.808 N/A ARG 13.A NE LEU 308.A O no hydrogen 3.106 N/A PHE 16.A N ARG 23.A O no hydrogen 2.665 N/A THR 17.A OG1 SER 22.A OG no hydrogen 2.424 N/A VAL 18.A N TYR 21.A O no hydrogen 2.785 N/A TYR 21.A N VAL 18.A O no hydrogen 2.661 N/A SER 22.A OG THR 17.A OG1 no hydrogen 2.424 N/A ARG 23.A N PHE 16.A O no hydrogen 2.734 N/A ARG 23.A NE THR 25.A O no hydrogen 2.873 N/A ARG 23.A NE THR 26.A OG1 no hydrogen 2.992 N/A ARG 23.A NH2 THR 26.A OG1 no hydrogen 3.220 N/A THR 26.A N LEU 10.A O no hydrogen 2.912 N/A THR 26.A OG1 THR 283.A OG1 no hydrogen 2.875 N/A VAL 29.A N ALA 44.A O no hydrogen 2.859 N/A GLN 30.A N PHE 6.A O no hydrogen 2.935 N/A VAL 31.A N GLY 42.A O no hydrogen 2.998 N/A GLU 32.A N THR 4.A O no hydrogen 2.839 N/A ILE 33.A N GLY 40.A O no hydrogen 2.959 N/A GLU 34.A N LYS 2.A O no hydrogen 2.792 N/A TYR 35.A N VAL 38.A O no hydrogen 2.916 N/A GLY 37.A N GLU 34.A OE2 no hydrogen 2.588 N/A VAL 38.A N TYR 35.A O no hydrogen 2.674 N/A GLY 40.A N ILE 33.A O no hydrogen 2.911 N/A TYR 41.A N ASP 102.A OD2 no hydrogen 2.799 N/A GLY 42.A N VAL 31.A O no hydrogen 2.822 N/A ALA 44.A N VAL 29.A O no hydrogen 2.933 N/A SER 45.A OG THR 283.A O no hydrogen 2.775 N/A MET 46.A N PRO 27.A O no hydrogen 2.837 N/A TYR 49.A N PRO 47.A O no hydrogen 2.458 N/A LEU 50.A N PRO 47.A O no hydrogen 2.797 N/A THR 53.A N SER 56.A OG no hydrogen 2.768 N/A GLU 55.A N THR 53.A OG1 no hydrogen 3.207 N/A SER 56.A N THR 53.A OG1 no hydrogen 3.118 N/A SER 56.A OG THR 53.A O no hydrogen 3.059 N/A VAL 57.A N THR 53.A O no hydrogen 2.992 N/A MET 58.A N VAL 54.A O no hydrogen 2.946 N/A ASN 59.A N GLU 55.A O no hydrogen 2.796 N/A PHE 60.A N SER 56.A O no hydrogen 2.933 N/A LEU 61.A N VAL 57.A O no hydrogen 2.862 N/A LYS 62.A N MET 58.A O no hydrogen 3.124 N/A LYS 62.A N ASN 59.A O no hydrogen 3.079 N/A LYS 63.A N ASN 59.A O no hydrogen 3.202 N/A LYS 63.A N PHE 60.A O no hydrogen 2.730 N/A VAL 64.A N LEU 61.A O no hydrogen 3.240 N/A ASN 65.A N TYR 81.A OH no hydrogen 2.872 N/A GLN 68.A N ASN 65.A OD1 no hydrogen 3.312 N/A GLN 68.A NE2 ASN 65.A O no hydrogen 2.783 N/A PHE 69.A N LEU 66.A O no hydrogen 2.750 N/A PHE 73.A N ASP 71.A OD1 no hydrogen 3.100 N/A GLN 74.A N ASP 71.A O no hydrogen 3.228 N/A LEU 75.A N PHE 73.A O no hydrogen 2.675 N/A ILE 78.A N GLN 74.A O no hydrogen 2.965 N/A LEU 79.A N LEU 75.A O no hydrogen 2.987 N/A SER 80.A N GLU 76.A O no hydrogen 3.082 N/A TYR 81.A N ASP 77.A O no hydrogen 2.965 N/A VAL 82.A N ILE 78.A O no hydrogen 2.895 N/A ASP 83.A N LEU 79.A O no hydrogen 2.956 N/A SER 84.A N SER 80.A O no hydrogen 3.133 N/A SER 84.A OG TYR 81.A O no hydrogen 2.649 N/A LEU 85.A N VAL 82.A O no hydrogen 3.225 N/A SER 86.A OG ASP 89.A OD2 no hydrogen 2.787 N/A THR 90.A OG1 GLU 52.A OE2 no hydrogen 3.325 N/A THR 90.A OG1 MET 255.A O no hydrogen 2.705 N/A ALA 91.A N GLU 52.A OE2 no hydrogen 2.762 N/A ALA 92.A N GLU 52.A OE1 no hydrogen 3.391 N/A LYS 93.A N ASP 89.A O no hydrogen 2.963 N/A LYS 93.A NZ ASP 83.A O no hydrogen 3.229 N/A LYS 93.A NZ ASP 83.A OD1 no hydrogen 2.873 N/A LYS 93.A NZ SER 86.A O no hydrogen 2.715 N/A LYS 93.A NZ LYS 88.A O no hydrogen 2.689 N/A ALA 94.A N THR 90.A O no hydrogen 2.675 N/A ALA 95.A N ALA 91.A O no hydrogen 3.075 N/A ALA 95.A N ALA 92.A O no hydrogen 3.263 N/A ASP 97.A N LYS 93.A O no hydrogen 3.015 N/A ILE 98.A N ALA 94.A O no hydrogen 2.783 N/A ALA 99.A N ALA 95.A O no hydrogen 3.065 N/A LEU 100.A N VAL 96.A O no hydrogen 2.944 N/A HIS 101.A N ASP 97.A O no hydrogen 2.980 N/A HIS 101.A NE2 ASP 97.A OD1 no hydrogen 3.108 N/A ASP 102.A N ILE 98.A O no hydrogen 3.000 N/A LEU 103.A N ALA 99.A O no hydrogen 2.953 N/A VAL 104.A N LEU 100.A O no hydrogen 2.908 N/A GLY 105.A N HIS 101.A O no hydrogen 2.807 N/A LYS 106.A N ASP 102.A O no hydrogen 2.924 N/A LYS 106.A NZ THR 39.A O no hydrogen 2.690 N/A LYS 106.A NZ ASP 102.A OD2 no hydrogen 2.719 N/A LEU 107.A N LEU 103.A O no hydrogen 2.902 N/A LEU 108.A N VAL 104.A O no hydrogen 2.938 N/A GLY 109.A N LYS 106.A O no hydrogen 3.158 N/A ALA 110.A N GLY 105.A O no hydrogen 2.991 N/A TRP 112.A N GLY 332.A O no hydrogen 3.107 N/A TRP 112.A NE1 HIS 101.A O no hydrogen 2.640 N/A TYR 113.A N GLN 294.A OE1 no hydrogen 2.889 N/A TYR 113.A OH ASP 329.A OD1 no hydrogen 3.147 N/A LYS 114.A N PRO 111.A O no hydrogen 3.186 N/A ILE 115.A N PRO 111.A O no hydrogen 3.045 N/A TRP 116.A N TRP 112.A O no hydrogen 2.799 N/A GLY 117.A N LYS 114.A O no hydrogen 2.809 N/A LEU 118.A N TYR 113.A O no hydrogen 2.753 N/A LYS 120.A NZ LEU 327.A O no hydrogen 2.775 N/A LYS 120.A NZ ASP 329.A OD1 no hydrogen 3.133 N/A GLU 121.A N ASN 119.A OD1 no hydrogen 2.813 N/A LYS 122.A N ASN 119.A O no hydrogen 2.786 N/A THR 123.A N LYS 120.A O no hydrogen 3.421 N/A THR 123.A OG1 LYS 120.A O no hydrogen 3.320 N/A THR 123.A OG1 ILE 325.A O no hydrogen 2.574 N/A SER 125.A OG ASN 150.A OD1 no hydrogen 3.257 N/A THR 126.A N GLY 323.A O no hydrogen 3.170 N/A THR 126.A OG1 THR 127.A O no hydrogen 3.063 N/A THR 126.A OG1 ALA 302.A O no hydrogen 3.425 N/A THR 127.A N ALA 302.A O no hydrogen 3.050 N/A THR 127.A OG1 ALA 302.A O no hydrogen 3.389 N/A THR 127.A OG1 ASP 303.A OD1 no hydrogen 2.635 N/A ILE 130.A N LYS 153.A O no hydrogen 3.013 N/A THR 134.A N ASP 133.A OD1 no hydrogen 2.412 N/A THR 134.A OG1 ASP 133.A OD1 no hydrogen 3.160 N/A VAL 138.A N THR 134.A O no hydrogen 2.627 N/A ARG 139.A N PRO 135.A O no hydrogen 2.800 N/A LYS 141.A N VAL 137.A O no hydrogen 3.019 N/A THR 142.A N VAL 138.A O no hydrogen 3.084 N/A THR 142.A OG1 VAL 138.A O no hydrogen 2.651 N/A LYS 143.A N ALA 140.A O no hydrogen 2.662 N/A GLU 144.A N ALA 140.A O no hydrogen 2.972 N/A GLU 144.A N LYS 141.A O no hydrogen 2.871 N/A CYS 145.A N LYS 141.A O no hydrogen 3.218 N/A CYS 145.A SG LYS 141.A O no hydrogen 3.522 N/A ALA 146.A N THR 142.A O no hydrogen 3.243 N/A LEU 148.A N CYS 145.A O no hydrogen 2.907 N/A LEU 152.A N PRO 175.A O no hydrogen 3.186 N/A LYS 153.A N PHE 128.A O no hydrogen 2.687 N/A LYS 153.A NZ ASP 303.A OD2 no hydrogen 3.027 N/A VAL 154.A N ALA 177.A O no hydrogen 2.909 N/A LYS 155.A NZ THR 17.A O no hydrogen 3.445 N/A ARG 158.A N ASP 161.A OD1 no hydrogen 3.001 N/A MET 164.A N ASN 160.A O no hydrogen 3.145 N/A ILE 165.A N ASP 161.A O no hydrogen 3.165 N/A GLU 166.A N LYS 162.A O no hydrogen 3.478 N/A THR 167.A N GLU 163.A O no hydrogen 2.864 N/A THR 167.A OG1 GLU 163.A O no hydrogen 2.583 N/A ILE 168.A N MET 164.A O no hydrogen 3.097 N/A ARG 169.A N ILE 165.A O no hydrogen 2.570 N/A ARG 169.A NE LYS 200.A O no hydrogen 2.947 N/A ARG 169.A NH1 THR 172.A O no hydrogen 3.336 N/A ARG 169.A NH1 LEU 174.A O no hydrogen 3.073 N/A ARG 169.A NH2 LEU 174.A O no hydrogen 3.278 N/A ARG 169.A NH2 LYS 200.A O no hydrogen 2.937 N/A SER 170.A N THR 167.A O no hydrogen 3.067 N/A SER 170.A OG THR 167.A O no hydrogen 2.481 N/A VAL 171.A N ILE 168.A O no hydrogen 2.994 N/A LEU 174.A N THR 172.A OG1 no hydrogen 3.248 N/A ILE 176.A N GLY 201.A O no hydrogen 3.315 N/A ALA 177.A N LEU 152.A O no hydrogen 2.906 N/A VAL 178.A N MET 204.A O no hydrogen 3.027 N/A ASP 179.A N VAL 154.A O no hydrogen 2.925 N/A ALA 180.A N GLU 206.A O no hydrogen 3.005 N/A GLN 182.A N GLN 207.A O no hydrogen 2.806 N/A GLY 183.A N ALA 180.A O no hydrogen 3.095 N/A TYR 189.A N ASP 186.A OD2 no hydrogen 2.666 N/A ALA 190.A N ASP 186.A O no hydrogen 3.044 N/A LEU 191.A N ARG 187.A O no hydrogen 3.239 N/A ASP 192.A N GLN 188.A O no hydrogen 3.229 N/A ILE 194.A N ALA 190.A O no hydrogen 3.217 N/A HIS 195.A N LEU 191.A O no hydrogen 3.381 N/A TRP 196.A N ASP 192.A O no hydrogen 2.872 N/A LEU 197.A N MET 193.A O no hydrogen 2.726 N/A LYS 198.A N ILE 194.A O no hydrogen 3.055 N/A GLU 199.A N HIS 195.A O no hydrogen 3.256 N/A GLU 199.A N TRP 196.A O no hydrogen 3.135 N/A LYS 200.A N TRP 196.A O no hydrogen 3.054 N/A LYS 200.A N LEU 197.A O no hydrogen 2.645 N/A ILE 202.A N LEU 197.A O no hydrogen 2.980 N/A VAL 203.A N ILE 176.A O no hydrogen 2.833 N/A ILE 205.A N PRO 227.A O no hydrogen 3.129 N/A GLU 206.A N VAL 178.A O no hydrogen 2.895 N/A GLN 207.A N PHE 229.A O no hydrogen 2.690 N/A GLN 207.A NE2 MET 209.A O no hydrogen 2.965 N/A GLN 207.A NE2 SER 233.A OG no hydrogen 2.953 N/A LYS 211.A NZ GLU 212.A OE1 no hydrogen 3.174 N/A GLU 212.A N GLU 212.A OE2 no hydrogen 2.569 N/A ILE 217.A N GLN 213.A O no hydrogen 3.193 N/A ALA 218.A N LEU 214.A O no hydrogen 2.642 N/A TRP 219.A N ASP 215.A O no hydrogen 3.003 N/A VAL 220.A N ASP 216.A O no hydrogen 2.825 N/A THR 221.A N ILE 217.A O no hydrogen 2.802 N/A THR 221.A OG1 ILE 217.A O no hydrogen 3.226 N/A THR 221.A OG1 ALA 246.A O no hydrogen 2.778 N/A GLN 222.A N ALA 218.A O no hydrogen 3.065 N/A GLN 223.A N VAL 220.A O no hydrogen 3.148 N/A SER 224.A N THR 221.A O no hydrogen 3.234 N/A SER 224.A OG LEU 226.A O no hydrogen 2.876 N/A LEU 226.A N SER 224.A OG no hydrogen 3.321 N/A VAL 228.A N THR 248.A OG1 no hydrogen 2.862 N/A PHE 229.A N ILE 205.A O no hydrogen 2.850 N/A ALA 230.A N GLY 249.A O no hydrogen 2.901 N/A ASP 231.A N GLN 207.A OE1 no hydrogen 2.989 N/A SER 233.A N GLN 207.A OE1 no hydrogen 3.193 N/A SER 233.A OG GLN 207.A OE1 no hydrogen 3.044 N/A LEU 234.A N ASP 231.A O no hydrogen 3.391 N/A ARG 236.A N ASP 239.A OD2 no hydrogen 3.231 N/A ARG 236.A NE GLU 262.A OE1 no hydrogen 3.084 N/A ARG 236.A NH1 ASP 83.A OD1 no hydrogen 2.851 N/A ARG 236.A NH2 ASP 83.A OD2 no hydrogen 3.403 N/A ARG 236.A NH2 GLU 262.A OE2 no hydrogen 2.611 N/A LEU 237.A N GLU 262.A OE1 no hydrogen 2.666 N/A ASP 239.A N ARG 236.A O no hydrogen 3.004 N/A VAL 240.A N LEU 237.A O no hydrogen 2.993 N/A LEU 243.A N VAL 240.A O no hydrogen 2.959 N/A LYS 244.A N ALA 241.A O no hydrogen 3.199 N/A ALA 246.A N LEU 243.A O no hydrogen 2.988 N/A PHE 247.A N LEU 243.A O no hydrogen 3.016 N/A THR 248.A N VAL 228.A O no hydrogen 2.797 N/A GLY 249.A N VAL 228.A O no hydrogen 3.206 N/A ILE 250.A N ARG 276.A O no hydrogen 2.796 N/A ASN 251.A N ALA 230.A O no hydrogen 2.824 N/A ILE 252.A N MET 278.A O no hydrogen 2.757 N/A LYS 253.A NZ ASP 231.A OD1 no hydrogen 2.683 N/A LYS 256.A N LYS 253.A O no hydrogen 2.839 N/A LYS 256.A NZ ASP 231.A OD1 no hydrogen 3.517 N/A CYS 257.A N LYS 253.A O no hydrogen 3.160 N/A CYS 257.A SG LYS 253.A O no hydrogen 3.493 N/A CYS 257.A SG LEU 254.A O no hydrogen 3.985 N/A CYS 257.A SG GLY 259.A O no hydrogen 3.447 N/A THR 258.A OG1 CYS 257.A O no hydrogen 2.257 N/A THR 258.A OG1 GLU 262.A OE2 no hydrogen 3.458 N/A GLY 259.A N LEU 254.A O no hydrogen 3.109 N/A MET 260.A N ASP 97.A OD2 no hydrogen 2.681 N/A ARG 261.A N ASP 97.A OD1 no hydrogen 2.945 N/A ARG 261.A NE GLU 76.A OE1 no hydrogen 3.154 N/A ARG 261.A NH2 GLU 76.A OE1 no hydrogen 2.712 N/A ALA 263.A N GLY 259.A O no hydrogen 2.967 N/A TRP 264.A N MET 260.A O no hydrogen 2.809 N/A LYS 265.A N ARG 261.A O no hydrogen 3.242 N/A MET 266.A N GLU 262.A O no hydrogen 2.753 N/A VAL 267.A N ALA 263.A O no hydrogen 2.927 N/A THR 268.A N TRP 264.A O no hydrogen 3.143 N/A THR 268.A OG1 TRP 264.A O no hydrogen 3.104 N/A LEU 269.A N LYS 265.A O no hydrogen 2.859 N/A ALA 270.A N MET 266.A O no hydrogen 2.987 N/A HIS 271.A N VAL 267.A O no hydrogen 3.147 N/A ALA 272.A N THR 268.A O no hydrogen 2.867 N/A LEU 273.A N LEU 269.A O no hydrogen 2.847 N/A GLY 274.A N HIS 271.A O no hydrogen 2.963 N/A MET 275.A N ALA 270.A O no hydrogen 2.699 N/A ARG 276.A N THR 248.A O no hydrogen 2.760 N/A ARG 276.A NE ASP 300.A OD1 no hydrogen 3.041 N/A ARG 276.A NE ASP 300.A OD2 no hydrogen 2.903 N/A ARG 276.A NH2 ASP 300.A OD1 no hydrogen 2.894 N/A ARG 276.A NH2 ASP 300.A OD2 no hydrogen 2.744 N/A MET 278.A N ILE 250.A O no hydrogen 2.918 N/A VAL 279.A N PHE 301.A O no hydrogen 3.126 N/A GLY 280.A N ILE 252.A O no hydrogen 2.810 N/A CYS 281.A SG MET 282.A O no hydrogen 3.461 N/A CYS 281.A SG ASP 303.A O no hydrogen 3.306 N/A THR 283.A OG1 THR 26.A OG1 no hydrogen 2.875 N/A THR 285.A N GLU 43.A OE2 no hydrogen 2.754 N/A THR 285.A OG1 GLU 43.A OE1 no hydrogen 2.525 N/A SER 286.A N ASP 313.A OD1 no hydrogen 2.945 N/A SER 286.A OG ASP 313.A OD2 no hydrogen 2.597 N/A SER 286.A OG PHE 315.A O no hydrogen 3.535 N/A CYS 287.A N THR 285.A OG1 no hydrogen 3.160 N/A CYS 287.A SG TYR 41.A O no hydrogen 3.578 N/A ALA 288.A N GLU 43.A OE1 no hydrogen 2.986 N/A ILE 289.A N THR 285.A O no hydrogen 3.432 N/A SER 290.A N SER 286.A O no hydrogen 3.068 N/A SER 290.A OG SER 286.A O no hydrogen 2.612 N/A ALA 291.A N CYS 287.A O no hydrogen 3.052 N/A ALA 292.A N ALA 288.A O no hydrogen 3.178 N/A SER 293.A N ILE 289.A O no hydrogen 3.005 N/A SER 293.A OG ILE 289.A O no hydrogen 2.654 N/A GLN 294.A N SER 290.A O no hydrogen 3.225 N/A GLN 294.A N ALA 291.A O no hydrogen 3.229 N/A PHE 295.A N ALA 292.A O no hydrogen 3.214 N/A SER 296.A N SER 293.A O no hydrogen 2.999 N/A SER 296.A OG SER 293.A O no hydrogen 2.674 N/A ALA 298.A N PHE 295.A O no hydrogen 3.035 N/A VAL 299.A N SER 296.A O no hydrogen 3.071 N/A ASP 300.A N VAL 277.A O no hydrogen 2.699 N/A ASP 303.A N VAL 279.A O no hydrogen 2.842 N/A LEU 304.A N THR 126.A OG1 no hydrogen 2.992 N/A LEU 308.A N ASP 305.A O no hydrogen 2.872 N/A LEU 309.A N GLY 306.A O no hydrogen 2.898 N/A ILE 310.A N ASN 307.A O no hydrogen 3.299 N/A SER 311.A N LYS 11.A O no hydrogen 2.728 N/A SER 311.A OG LYS 11.A O no hydrogen 3.143 N/A ASN 312.A ND2 GLU 9.A O no hydrogen 3.036 N/A PHE 315.A N ASP 313.A OD1 no hydrogen 3.152 N/A LYS 316.A N MET 336.A O no hydrogen 2.805 N/A LYS 316.A NZ GLU 319.A OE1 no hydrogen 3.449 N/A LYS 316.A NZ GLU 319.A OE2 no hydrogen 3.046 N/A VAL 318.A N SER 290.A OG no hydrogen 3.179 N/A GLU 319.A N THR 326.A O no hydrogen 3.175 N/A VAL 321.A N LYS 324.A O no hydrogen 2.845 N/A LYS 324.A N VAL 321.A O no hydrogen 2.797 N/A ILE 325.A N PRO 124.A O no hydrogen 2.933 N/A THR 326.A N GLU 319.A O no hydrogen 2.720 N/A THR 326.A OG1 GLU 319.A O no hydrogen 3.482 N/A THR 326.A OG1 LYS 324.A O no hydrogen 3.083 N/A ASN 328.A ND2 GLY 334.A O no hydrogen 2.917 N/A LEU 330.A N ASN 328.A OD1 no hydrogen 2.806 N/A GLY 332.A N ALA 110.A O no hydrogen 2.985 N/A ILE 333.A N ASP 102.A OD1 no hydrogen 2.892 N/A GLY 334.A N PRO 331.A O no hydrogen 3.282 N/A MET 336.A N LYS 316.A O no hydrogen 2.891 N/A