Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jii_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A N ALA 40.A O no hydrogen 3.037 N/A HIS 2.A ND1 ALA 40.A O no hydrogen 3.076 N/A VAL 7.A N MET 15.A O no hydrogen 2.756 N/A LEU 9.A N ALA 13.A O no hydrogen 2.995 N/A LYS 12.A N LEU 9.A O no hydrogen 2.714 N/A ALA 13.A N THR 11.A OG1 no hydrogen 3.309 N/A MET 15.A N VAL 7.A O no hydrogen 2.857 N/A ILE 17.A N THR 5.A O no hydrogen 2.785 N/A GLY 19.A N VAL 262.A O no hydrogen 2.976 N/A LEU 20.A N HIS 44.A O no hydrogen 2.734 N/A GLY 21.A N PRO 264.A O no hydrogen 3.076 N/A THR 22.A OG1 ASP 46.A O no hydrogen 2.548 N/A LYS 24.A NZ TRP 23.A O no hydrogen 2.527 N/A LYS 24.A NZ ASP 219.A OD1 no hydrogen 3.191 N/A LYS 24.A NZ ASP 219.A OD2 no hydrogen 2.879 N/A SER 25.A N THR 22.A O no hydrogen 3.349 N/A GLY 28.A N GLU 56.A OE1 no hydrogen 2.967 N/A GLY 28.A N GLU 56.A OE2 no hydrogen 2.894 N/A LYS 29.A N PRO 26.A O no hydrogen 3.171 N/A VAL 30.A N PRO 26.A O no hydrogen 3.027 N/A LYS 31.A NZ GLU 59.A OE1 no hydrogen 3.057 N/A LYS 31.A NZ GLU 63.A OE1 no hydrogen 3.254 N/A LYS 31.A NZ GLU 63.A OE2 no hydrogen 2.446 N/A ALA 33.A N LYS 29.A O no hydrogen 3.107 N/A VAL 34.A N VAL 30.A O no hydrogen 2.966 N/A LYS 35.A N LYS 31.A O no hydrogen 3.090 N/A VAL 36.A N GLU 32.A O no hydrogen 2.844 N/A ALA 37.A N ALA 33.A O no hydrogen 2.924 N/A ILE 38.A N VAL 34.A O no hydrogen 2.894 N/A ASP 39.A N LYS 35.A O no hydrogen 2.981 N/A ALA 40.A N VAL 36.A O no hydrogen 2.868 N/A GLY 41.A N ALA 37.A O no hydrogen 2.980 N/A GLY 41.A N ILE 38.A O no hydrogen 3.027 N/A TYR 42.A N ALA 37.A O no hydrogen 2.835 N/A TYR 42.A OH ILE 272.A O no hydrogen 2.531 N/A ARG 43.A NH1 ILE 38.A O no hydrogen 2.934 N/A ARG 43.A NH1 TYR 42.A O no hydrogen 2.762 N/A HIS 44.A ND1 PRO 16.A O no hydrogen 3.104 N/A ILE 45.A N PHE 76.A O no hydrogen 3.041 N/A ASP 46.A N LEU 20.A O no hydrogen 2.850 N/A CYS 47.A N VAL 78.A O no hydrogen 2.809 N/A TYR 51.A N ALA 48.A O no hydrogen 3.066 N/A GLN 52.A N TYR 49.A O no hydrogen 3.084 N/A ASN 53.A ND2 THR 22.A O no hydrogen 2.929 N/A ASN 53.A ND2 SER 25.A O no hydrogen 2.938 N/A VAL 57.A N ASN 53.A O no hydrogen 3.100 N/A GLY 58.A N GLU 54.A O no hydrogen 2.620 N/A GLU 59.A N HIS 55.A O no hydrogen 2.806 N/A ALA 60.A N GLU 56.A O no hydrogen 3.120 N/A ILE 61.A N VAL 57.A O no hydrogen 3.016 N/A GLN 62.A N GLY 58.A O no hydrogen 2.899 N/A GLU 63.A N GLU 59.A O no hydrogen 2.910 N/A LYS 64.A N ALA 60.A O no hydrogen 2.968 N/A LYS 64.A N ILE 61.A O no hydrogen 3.091 N/A LYS 64.A NZ ASP 39.A OD1 no hydrogen 2.815 N/A LYS 64.A NZ ASP 39.A OD2 no hydrogen 3.057 N/A LYS 64.A NZ GLU 67.A OE2 no hydrogen 2.943 N/A ILE 65.A N ILE 61.A O no hydrogen 2.957 N/A GLN 66.A N GLN 62.A O no hydrogen 2.979 N/A GLU 67.A N GLU 63.A O no hydrogen 3.193 N/A LYS 68.A N ILE 65.A O no hydrogen 2.860 N/A ALA 69.A N LYS 64.A O no hydrogen 3.007 N/A ARG 72.A NH1 ARG 72.A O no hydrogen 2.776 N/A ARG 72.A NH1 LEU 75.A O no hydrogen 3.095 N/A ARG 72.A NH1 ASP 108.A OD2 no hydrogen 2.992 N/A ARG 72.A NH2 TYR 106.A O no hydrogen 2.794 N/A ARG 72.A NH2 ASP 108.A OD2 no hydrogen 2.886 N/A GLU 73.A N GLU 73.A OE1 no hydrogen 3.196 N/A ASP 74.A N LYS 71.A O no hydrogen 3.066 N/A LEU 75.A N ARG 72.A O no hydrogen 3.007 N/A PHE 76.A N ARG 43.A O no hydrogen 2.539 N/A ILE 77.A N ASP 108.A OD2 no hydrogen 2.845 N/A VAL 78.A N ILE 45.A O no hydrogen 3.054 N/A SER 79.A N VAL 109.A O no hydrogen 3.162 N/A SER 79.A OG GLU 54.A OE2 no hydrogen 2.625 N/A LYS 80.A N SER 79.A OG no hydrogen 2.693 N/A LYS 80.A NZ ASP 46.A OD1 no hydrogen 3.289 N/A LYS 80.A NZ ASP 46.A OD2 no hydrogen 2.766 N/A LYS 80.A NZ CYS 47.A O no hydrogen 2.871 N/A LYS 80.A NZ TYR 51.A OH no hydrogen 3.148 N/A LEU 81.A N LEU 111.A O no hydrogen 2.646 N/A TRP 82.A NE1 LEU 124.A O no hydrogen 2.917 N/A PHE 85.A N TRP 82.A O no hydrogen 2.979 N/A ARG 88.A NH1 GLU 149.A OE1 no hydrogen 2.443 N/A ARG 88.A NH1 GLU 149.A OE2 no hydrogen 2.668 N/A ARG 88.A NH2 GLU 149.A OE2 no hydrogen 3.217 N/A LEU 90.A N GLU 87.A O no hydrogen 2.744 N/A VAL 91.A N GLU 87.A O no hydrogen 2.997 N/A ARG 92.A N ARG 88.A O no hydrogen 3.396 N/A ARG 92.A NH1 GLU 153.A OE1 no hydrogen 3.009 N/A ARG 92.A NH2 GLU 153.A OE2 no hydrogen 2.646 N/A LYS 93.A N PRO 89.A O no hydrogen 3.222 N/A ALA 94.A N LEU 90.A O no hydrogen 2.866 N/A PHE 95.A N VAL 91.A O no hydrogen 3.047 N/A GLU 96.A N ARG 92.A O no hydrogen 2.944 N/A LYS 97.A N LYS 93.A O no hydrogen 2.896 N/A LYS 97.A NZ ASP 101.A OD1 no hydrogen 3.556 N/A LYS 97.A NZ ASP 101.A OD2 no hydrogen 2.849 N/A THR 98.A N ALA 94.A O no hydrogen 2.961 N/A THR 98.A OG1 GLU 54.A OE1 no hydrogen 2.795 N/A THR 98.A OG1 ALA 94.A O no hydrogen 3.485 N/A LEU 99.A N PHE 95.A O no hydrogen 2.831 N/A LYS 100.A N GLU 96.A O no hydrogen 2.844 N/A ASP 101.A N LYS 97.A O no hydrogen 2.836 N/A LEU 102.A N THR 98.A O no hydrogen 2.971 N/A LYS 103.A N LYS 100.A O no hydrogen 2.877 N/A LYS 103.A NZ ASP 101.A O no hydrogen 2.988 N/A LEU 104.A N LEU 99.A O no hydrogen 3.170 N/A LEU 107.A N LEU 155.A O no hydrogen 2.981 N/A ASP 108.A N ILE 77.A O no hydrogen 3.055 N/A VAL 109.A N ILE 77.A O no hydrogen 3.309 N/A TYR 110.A N ALA 158.A O no hydrogen 3.009 N/A LEU 111.A N SER 79.A O no hydrogen 2.852 N/A ILE 112.A N GLY 160.A O no hydrogen 3.012 N/A HIS 113.A N LEU 81.A O no hydrogen 2.986 N/A GLN 116.A NE2 GLY 117.A O no hydrogen 2.686 N/A PHE 118.A N PRO 83.A O no hydrogen 2.823 N/A LYS 119.A N ILE 134.A O no hydrogen 2.967 N/A SER 120.A OG GLU 87.A OE1 no hydrogen 3.418 N/A ASP 123.A N GLY 121.A O no hydrogen 2.732 N/A LYS 127.A NZ PHE 125.A O no hydrogen 3.243 N/A ASP 128.A N ASN 132.A O no hydrogen 2.972 N/A ASN 132.A N ASP 128.A OD1 no hydrogen 2.645 N/A ASN 132.A ND2 ASP 128.A OD2 no hydrogen 3.042 N/A ALA 133.A N GLN 305.A O no hydrogen 3.473 N/A ILE 134.A N PRO 126.A O no hydrogen 3.001 N/A GLY 136.A N GLY 117.A O no hydrogen 3.127 N/A THR 139.A N ASP 142.A OD2 no hydrogen 3.123 N/A THR 139.A OG1 ASP 142.A OD2 no hydrogen 3.460 N/A ASP 142.A N THR 139.A OG1 no hydrogen 3.295 N/A ALA 143.A N THR 139.A O no hydrogen 2.954 N/A TRP 144.A N PHE 140.A O no hydrogen 2.903 N/A TRP 144.A NE1 TYR 180.A O no hydrogen 2.963 N/A GLU 145.A N LEU 141.A O no hydrogen 3.303 N/A ALA 146.A N ASP 142.A O no hydrogen 3.387 N/A MET 147.A N ALA 143.A O no hydrogen 2.900 N/A GLU 148.A N TRP 144.A O no hydrogen 2.739 N/A GLU 149.A N ALA 146.A O no hydrogen 3.158 N/A LEU 150.A N MET 147.A O no hydrogen 2.931 N/A VAL 151.A N MET 147.A O no hydrogen 3.442 N/A ASP 152.A N GLU 148.A O no hydrogen 3.023 N/A GLU 153.A N GLU 149.A O no hydrogen 2.996 N/A GLY 154.A N VAL 151.A O no hydrogen 3.064 N/A LEU 155.A N LEU 150.A O no hydrogen 2.962 N/A LYS 157.A N LEU 107.A O no hydrogen 2.859 N/A GLY 160.A N TYR 110.A O no hydrogen 3.107 N/A VAL 161.A N THR 184.A O no hydrogen 2.977 N/A SER 162.A OG ASN 163.A OD1 no hydrogen 3.524 N/A SER 162.A OG GLN 186.A O no hydrogen 2.605 N/A ASN 163.A N GLN 186.A O no hydrogen 3.022 N/A ASN 163.A ND2 TYR 212.A OH no hydrogen 2.684 N/A PHE 164.A N ASN 185.A OD1 no hydrogen 3.468 N/A SER 165.A N GLN 168.A OE1 no hydrogen 2.934 N/A HIS 166.A N TYR 318.A OXT no hydrogen 2.883 N/A HIS 166.A ND1 TYR 318.A O no hydrogen 2.779 N/A GLN 168.A N SER 165.A OG no hydrogen 3.321 N/A GLN 168.A NE2 ASP 311.A O no hydrogen 3.076 N/A ILE 169.A N SER 165.A O no hydrogen 3.014 N/A GLU 170.A N HIS 166.A O no hydrogen 2.744 N/A LYS 171.A N PHE 167.A O no hydrogen 2.963 N/A LYS 171.A NZ ASP 311.A OD1 no hydrogen 2.921 N/A LEU 172.A N GLN 168.A O no hydrogen 3.109 N/A LEU 173.A N ILE 169.A O no hydrogen 2.882 N/A ASN 174.A N GLU 170.A O no hydrogen 3.038 N/A LYS 175.A N LEU 172.A O no hydrogen 3.203 N/A LYS 175.A NZ PRO 176.A O no hydrogen 3.042 N/A LEU 178.A N LYS 175.A O no hydrogen 3.342 N/A LYS 179.A N GLU 148.A OE2 no hydrogen 2.758 N/A LYS 179.A NZ ASP 152.A OD2 no hydrogen 2.608 N/A TYR 180.A N GLU 148.A OE2 no hydrogen 2.727 N/A TYR 180.A OH ASP 152.A OD1 no hydrogen 2.617 N/A LYS 181.A NZ LYS 205.A O no hydrogen 3.356 N/A VAL 183.A N LEU 159.A O no hydrogen 2.799 N/A THR 184.A OG1 THR 208.A OG1 no hydrogen 2.613 N/A THR 184.A OG1 THR 210.A OG1 no hydrogen 2.994 N/A ASN 185.A N THR 208.A O no hydrogen 2.913 N/A ASN 185.A ND2 PHE 164.A O no hydrogen 3.120 N/A GLN 186.A N VAL 161.A O no hydrogen 2.877 N/A GLN 186.A NE2 ASP 46.A OD1 no hydrogen 2.751 N/A VAL 187.A N THR 210.A O no hydrogen 2.901 N/A CYS 189.A N TYR 212.A O no hydrogen 3.188 N/A CYS 189.A SG LEU 193.A O no hydrogen 3.581 N/A CYS 189.A SG THR 194.A O no hydrogen 3.566 N/A HIS 190.A N LEU 193.A O no hydrogen 3.188 N/A HIS 190.A NE2 GLU 188.A OE2 no hydrogen 2.610 N/A TYR 192.A N HIS 190.A ND1 no hydrogen 3.222 N/A TYR 192.A OH ASP 233.A OD2 no hydrogen 2.667 N/A LEU 193.A N HIS 190.A O no hydrogen 2.941 N/A THR 194.A N ASN 295.A OD1 no hydrogen 3.212 N/A THR 194.A OG1 GLU 196.A OE2 no hydrogen 3.325 N/A GLN 195.A NE2 GLU 188.A O no hydrogen 2.778 N/A LYS 197.A NZ GLU 317.A OE2 no hydrogen 2.662 N/A ILE 199.A N GLN 195.A O no hydrogen 3.004 N/A GLN 200.A N GLU 196.A O no hydrogen 3.068 N/A TYR 201.A N LYS 197.A O no hydrogen 2.891 N/A TYR 201.A OH GLU 170.A OE2 no hydrogen 2.491 N/A CYS 202.A N LEU 198.A O no hydrogen 2.928 N/A CYS 202.A SG LEU 198.A O no hydrogen 3.223 N/A HIS 203.A N ILE 199.A O no hydrogen 2.896 N/A SER 204.A N GLN 200.A O no hydrogen 3.029 N/A SER 204.A OG GLN 200.A O no hydrogen 3.515 N/A SER 204.A OG TYR 201.A O no hydrogen 2.596 N/A LYS 205.A N TYR 201.A O no hydrogen 3.195 N/A LYS 205.A N CYS 202.A O no hydrogen 2.946 N/A GLY 206.A N HIS 203.A O no hydrogen 3.075 N/A ILE 207.A N CYS 202.A O no hydrogen 2.889 N/A THR 208.A N VAL 183.A O no hydrogen 3.030 N/A THR 208.A OG1 VAL 183.A O no hydrogen 2.936 N/A THR 208.A OG1 THR 184.A OG1 no hydrogen 2.613 N/A THR 210.A N ASN 185.A O no hydrogen 3.103 N/A THR 210.A OG1 THR 184.A OG1 no hydrogen 2.994 N/A ALA 211.A N ILE 261.A O no hydrogen 2.589 N/A TYR 212.A N VAL 187.A O no hydrogen 2.883 N/A GLY 216.A N SER 213.A O no hydrogen 3.158 N/A ARG 220.A N SER 217.A O no hydrogen 2.957 N/A ARG 220.A NH1 SER 217.A O no hydrogen 2.859 N/A ARG 220.A NH2 ASP 227.A OD2 no hydrogen 3.209 N/A TRP 222.A NE1 ALA 300.A O no hydrogen 2.728 N/A ALA 223.A N ARG 220.A O no hydrogen 3.180 N/A LYS 224.A N ASP 227.A OD2 no hydrogen 2.767 N/A LYS 224.A NZ TRP 222.A O no hydrogen 2.957 N/A GLU 226.A N GLU 226.A OE1 no hydrogen 2.453 N/A ASP 227.A N LYS 224.A O no hydrogen 3.041 N/A ASP 233.A N LEU 230.A O no hydrogen 3.108 N/A LYS 235.A N ASP 233.A OD1 no hydrogen 2.869 N/A ILE 236.A N ASP 233.A OD1 no hydrogen 3.451 N/A LYS 237.A N ASP 233.A O no hydrogen 3.017 N/A GLU 238.A N PRO 234.A O no hydrogen 2.886 N/A ILE 239.A N LYS 235.A O no hydrogen 3.173 N/A ALA 240.A N ILE 236.A O no hydrogen 2.910 N/A ALA 241.A N LYS 237.A O no hydrogen 2.734 N/A LYS 242.A N GLU 238.A O no hydrogen 3.381 N/A LYS 242.A N ILE 239.A O no hydrogen 3.224 N/A HIS 243.A N ALA 240.A O no hydrogen 2.945 N/A HIS 243.A NE2 GLU 287.A OE1 no hydrogen 2.831 N/A HIS 243.A NE2 GLU 287.A OE2 no hydrogen 3.191 N/A LYS 244.A N ALA 241.A O no hydrogen 3.332 N/A LYS 245.A N ALA 240.A O no hydrogen 3.038 N/A LYS 245.A NZ GLN 277.A O no hydrogen 2.899 N/A LYS 245.A NZ ASP 280.A OD1 no hydrogen 2.768 N/A LYS 245.A NZ ASP 280.A OD2 no hydrogen 3.022 N/A THR 246.A N GLN 249.A OE1 no hydrogen 2.713 N/A THR 246.A OG1 GLN 249.A OE1 no hydrogen 3.405 N/A THR 246.A OG1 GLU 274.A OE2 no hydrogen 2.662 N/A GLN 249.A N THR 246.A OG1 no hydrogen 3.233 N/A GLN 249.A NE2 GLU 274.A O no hydrogen 3.048 N/A VAL 250.A N THR 246.A O no hydrogen 3.137 N/A LEU 251.A N ALA 247.A O no hydrogen 2.946 N/A ILE 252.A N ALA 248.A O no hydrogen 2.907 N/A ARG 253.A N GLN 249.A O no hydrogen 2.940 N/A ARG 253.A NE GLN 257.A OE1 no hydrogen 2.761 N/A ARG 253.A NH1 VAL 278.A O no hydrogen 3.055 N/A PHE 254.A N VAL 250.A O no hydrogen 2.910 N/A HIS 255.A N ILE 252.A O no hydrogen 3.141 N/A ILE 256.A N ILE 252.A O no hydrogen 3.436 N/A GLN 257.A N ARG 253.A O no hydrogen 3.032 N/A GLN 257.A NE2 LEU 283.A O no hydrogen 3.001 N/A ARG 258.A N HIS 255.A O no hydrogen 2.927 N/A ARG 258.A NH1 THR 194.A O no hydrogen 2.956 N/A ARG 258.A NH2 THR 194.A O no hydrogen 2.687 N/A ASN 259.A N ILE 256.A O no hydrogen 3.008 N/A VAL 260.A N HIS 255.A O no hydrogen 2.833 N/A ILE 261.A N VAL 209.A O no hydrogen 2.955 N/A VAL 262.A N ILE 17.A O no hydrogen 2.876 N/A ILE 263.A N ALA 211.A O no hydrogen 3.295 N/A LYS 265.A NZ ASP 219.A OD2 no hydrogen 2.946 N/A SER 266.A OG THR 268.A O no hydrogen 3.398 N/A THR 268.A N SER 266.A OG no hydrogen 2.858 N/A ILE 272.A N THR 268.A O no hydrogen 2.834 N/A VAL 273.A N PRO 269.A O no hydrogen 3.113 N/A GLU 274.A N ALA 270.A O no hydrogen 2.989 N/A ASN 275.A N ARG 271.A O no hydrogen 2.727 N/A ILE 276.A N VAL 273.A O no hydrogen 3.032 N/A GLN 277.A N VAL 273.A O no hydrogen 3.227 N/A GLN 277.A N GLU 274.A O no hydrogen 3.215 N/A GLN 277.A NE2 HIS 2.A NE2 no hydrogen 3.628 N/A LEU 283.A N GLN 257.A OE1 no hydrogen 2.704 N/A SER 284.A N GLU 287.A OE1 no hydrogen 2.935 N/A GLU 287.A N SER 284.A OG no hydrogen 3.028 N/A MET 288.A N SER 284.A O no hydrogen 2.936 N/A ALA 289.A N ASP 285.A O no hydrogen 2.772 N/A THR 290.A N GLU 286.A O no hydrogen 2.890 N/A THR 290.A OG1 GLU 286.A O no hydrogen 2.653 N/A ILE 291.A N GLU 287.A O no hydrogen 2.798 N/A LEU 292.A N MET 288.A O no hydrogen 2.850 N/A SER 293.A N ALA 289.A O no hydrogen 3.090 N/A SER 293.A N THR 290.A O no hydrogen 3.096 N/A SER 293.A OG THR 290.A O no hydrogen 2.616 N/A PHE 294.A N ILE 291.A O no hydrogen 3.056 N/A ASN 295.A N LEU 292.A O no hydrogen 3.307 N/A ASN 295.A ND2 ASN 297.A OD1 no hydrogen 3.019 N/A ARG 296.A N TYR 192.A O no hydrogen 2.901 N/A ASN 297.A N ASN 295.A OD1 no hydrogen 3.156 N/A TRP 298.A N TYR 192.A O no hydrogen 2.973 N/A ALA 300.A N GLU 188.A OE2 no hydrogen 2.616 N/A CYS 301.A N GLU 188.A OE1 no hydrogen 2.926 N/A CYS 301.A SG TYR 212.A OH no hydrogen 3.827 N/A GLN 305.A NE2 ASN 132.A OD1 no hydrogen 3.384 N/A SER 306.A OG LEU 304.A O no hydrogen 3.383 N/A HIS 308.A NE2 ALA 133.A O no hydrogen 2.897 N/A LEU 309.A N SER 306.A O no hydrogen 3.170 N/A ASP 311.A N GLN 116.A OE1 no hydrogen 2.706 N/A TYR 312.A OH ASN 302.A OD1 no hydrogen 3.081 N/A