Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rjy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 5.A OE2 no hydrogen 3.178 N/A SER 2.A N GLU 5.A OE2 no hydrogen 2.949 N/A GLU 5.A N SER 2.A OG no hydrogen 3.388 N/A TYR 6.A N SER 2.A O no hydrogen 3.100 N/A TYR 6.A OH ASP 125.A OD2 no hydrogen 2.437 N/A ASN 7.A N ALA 3.A O no hydrogen 2.926 N/A ASN 7.A ND2 ILE 246.A O no hydrogen 2.902 N/A LYS 8.A N PHE 4.A O no hydrogen 3.005 N/A MET 9.A N GLU 5.A O no hydrogen 3.142 N/A ILE 10.A N TYR 6.A O no hydrogen 3.304 N/A ILE 10.A N ASN 7.A O no hydrogen 3.048 N/A GLY 11.A N ASN 7.A O no hydrogen 3.320 N/A HIS 12.A N ASP 46.A OD2 no hydrogen 3.016 N/A HIS 12.A NE2 GLU 274.A OE2 no hydrogen 2.515 N/A GLY 13.A N LEU 280.A O no hydrogen 2.708 N/A ILE 14.A N SER 47.A O no hydrogen 3.206 N/A ASN 15.A N TYR 282.A O no hydrogen 2.800 N/A ASN 15.A ND2 GLY 249.A O no hydrogen 2.972 N/A ASN 15.A ND2 TYR 282.A O no hydrogen 3.316 N/A MET 16.A N ARG 49.A O no hydrogen 2.944 N/A ASN 18.A N GLU 21.A OE2 no hydrogen 2.652 N/A ALA 19.A N GLU 21.A OE1 no hydrogen 2.907 N/A GLU 21.A N GLU 21.A OE1 no hydrogen 2.746 N/A SER 27.A N VAL 24.A O no hydrogen 3.213 N/A SER 27.A OG VAL 24.A O no hydrogen 3.046 N/A GLY 29.A N GLY 26.A O no hydrogen 3.243 N/A VAL 30.A N ASN 18.A O no hydrogen 3.298 N/A ILE 32.A N GLU 25.A OE2 no hydrogen 2.985 N/A TYR 36.A N GLU 33.A O no hydrogen 3.187 N/A ILE 39.A N GLU 35.A O no hydrogen 2.807 N/A ILE 40.A N TYR 36.A O no hydrogen 2.789 N/A LYS 41.A N PHE 37.A O no hydrogen 2.981 N/A LYS 41.A NZ ASP 85.A O no hydrogen 2.741 N/A GLU 42.A N LYS 38.A O no hydrogen 2.930 N/A ARG 43.A N ILE 39.A O no hydrogen 3.245 N/A ARG 43.A NE GLU 301.A OE2 no hydrogen 3.261 N/A ARG 43.A NH1 ARG 43.A O no hydrogen 2.815 N/A ARG 43.A NH1 LYS 310.A O no hydrogen 3.045 N/A ARG 43.A NH1 LYS 310.A OXT no hydrogen 3.058 N/A ARG 43.A NH2 GLU 301.A OE2 no hydrogen 2.675 N/A ARG 43.A NH2 LYS 310.A OXT no hydrogen 2.937 N/A GLY 44.A N LYS 41.A O no hydrogen 2.928 N/A PHE 45.A N ILE 40.A O no hydrogen 3.358 N/A ASP 46.A N HIS 12.A O no hydrogen 2.830 N/A SER 47.A OG ILE 10.A O no hydrogen 2.699 N/A VAL 48.A N VAL 87.A O no hydrogen 2.947 N/A ARG 49.A N ILE 14.A O no hydrogen 2.906 N/A ARG 49.A NE GLU 130.A OE1 no hydrogen 2.809 N/A ARG 49.A NH1 ASN 15.A OD1 no hydrogen 2.903 N/A ARG 49.A NH1 GLU 250.A OE2 no hydrogen 2.856 N/A ARG 49.A NH2 GLU 130.A OE1 no hydrogen 3.508 N/A ARG 49.A NH2 GLU 130.A OE2 no hydrogen 2.955 N/A ILE 50.A N ILE 89.A O no hydrogen 2.673 N/A ILE 52.A N ASN 91.A OD1 no hydrogen 2.926 N/A ARG 53.A N LEU 20.A O no hydrogen 2.938 N/A ARG 53.A NE GLU 21.A O no hydrogen 2.868 N/A ARG 53.A NH1 GLU 96.A OE2 no hydrogen 3.145 N/A ARG 53.A NH2 GLU 21.A O no hydrogen 2.818 N/A TRP 54.A NE1 ASN 91.A O no hydrogen 2.749 N/A ALA 56.A N ARG 53.A O no hydrogen 3.187 N/A HIS 57.A N TRP 54.A O no hydrogen 2.751 N/A HIS 57.A ND1 ARG 53.A O no hydrogen 3.125 N/A SER 59.A N GLU 65.A O no hydrogen 2.969 N/A SER 59.A OG LYS 61.A O no hydrogen 2.690 N/A TYR 64.A N LYS 61.A O no hydrogen 2.882 N/A GLU 65.A N SER 59.A OG no hydrogen 3.220 N/A ILE 66.A N GLN 115.A OE1 no hydrogen 2.974 N/A ASP 67.A N HIS 57.A O no hydrogen 2.722 N/A LYS 68.A NZ ASP 72.A OD2 no hydrogen 2.632 N/A PHE 70.A N ASP 67.A OD2 no hydrogen 2.867 N/A LEU 71.A N ASP 67.A O no hydrogen 3.006 N/A ASP 72.A N LYS 68.A O no hydrogen 3.086 N/A ARG 73.A N PHE 69.A O no hydrogen 3.097 N/A ARG 73.A NE GLU 25.A OE1 no hydrogen 2.827 N/A ARG 73.A NH2 GLU 25.A OE1 no hydrogen 3.539 N/A ARG 73.A NH2 GLU 25.A OE2 no hydrogen 2.788 N/A ARG 73.A NH2 ILE 32.A O no hydrogen 2.691 N/A VAL 74.A N PHE 70.A O no hydrogen 3.002 N/A LYS 75.A N LEU 71.A O no hydrogen 2.931 N/A HIS 76.A N ASP 72.A O no hydrogen 2.831 N/A HIS 76.A NE2 ASP 34.A OD1 no hydrogen 2.784 N/A VAL 77.A N ARG 73.A O no hydrogen 2.948 N/A VAL 78.A N VAL 74.A O no hydrogen 2.868 N/A ASP 79.A N LYS 75.A O no hydrogen 2.893 N/A VAL 80.A N HIS 76.A O no hydrogen 3.047 N/A ALA 81.A N VAL 77.A O no hydrogen 2.998 N/A LEU 82.A N VAL 78.A O no hydrogen 2.907 N/A LYS 83.A N ASP 79.A O no hydrogen 2.976 N/A ASN 84.A N VAL 80.A O no hydrogen 3.183 N/A ASN 84.A N ALA 81.A O no hydrogen 3.084 N/A ASN 84.A ND2 VAL 80.A O no hydrogen 2.817 N/A ASP 85.A N LEU 82.A O no hydrogen 3.000 N/A VAL 87.A N ASP 46.A O no hydrogen 2.995 N/A VAL 88.A N LYS 126.A O no hydrogen 2.770 N/A ILE 89.A N VAL 48.A O no hydrogen 2.969 N/A ILE 90.A N PHE 128.A O no hydrogen 3.130 N/A ASN 91.A N ILE 50.A O no hydrogen 3.434 N/A HIS 93.A N ILE 52.A O no hydrogen 2.731 N/A GLU 97.A N GLU 97.A OE1 no hydrogen 2.750 N/A TYR 99.A N GLU 96.A O no hydrogen 3.259 N/A TYR 99.A OH GLU 134.A O no hydrogen 2.585 N/A GLN 100.A N GLU 97.A O no hydrogen 3.063 N/A GLN 100.A NE2 GLN 137.A OE1 no hydrogen 3.467 N/A ALA 101.A N GLU 97.A O no hydrogen 2.815 N/A LYS 104.A N ALA 101.A O no hydrogen 3.027 N/A TYR 105.A N ALA 101.A O no hydrogen 2.951 N/A GLY 106.A N PRO 102.A O no hydrogen 2.678 N/A LEU 109.A N TYR 105.A O no hydrogen 3.027 N/A VAL 110.A N GLY 106.A O no hydrogen 3.123 N/A GLU 111.A N PRO 107.A O no hydrogen 3.140 N/A ILE 112.A N VAL 108.A O no hydrogen 2.870 N/A TRP 113.A N LEU 109.A O no hydrogen 2.987 N/A TRP 113.A NE1 ILE 131.A O no hydrogen 2.879 N/A LYS 114.A N VAL 110.A O no hydrogen 2.815 N/A GLN 115.A N GLU 111.A O no hydrogen 3.141 N/A GLN 115.A NE2 TYR 64.A O no hydrogen 2.896 N/A GLN 115.A NE2 GLU 111.A O no hydrogen 3.253 N/A VAL 116.A N ILE 112.A O no hydrogen 2.968 N/A ALA 117.A N TRP 113.A O no hydrogen 2.804 N/A GLN 118.A N LYS 114.A O no hydrogen 3.234 N/A ALA 119.A N GLN 115.A O no hydrogen 3.187 N/A PHE 120.A N VAL 116.A O no hydrogen 2.969 N/A LYS 121.A NZ ASP 122.A OD2 no hydrogen 2.738 N/A TYR 123.A N PHE 120.A O no hydrogen 3.041 N/A TYR 123.A OH ASP 79.A OD1 no hydrogen 2.604 N/A LEU 127.A N PRO 124.A O no hydrogen 3.173 N/A PHE 128.A N VAL 88.A O no hydrogen 2.756 N/A PHE 129.A N ILE 163.A O no hydrogen 2.980 N/A GLU 130.A N ILE 90.A O no hydrogen 2.955 N/A ILE 131.A N ILE 165.A O no hydrogen 3.330 N/A ASN 133.A N CYS 92.A O no hydrogen 2.966 N/A ASN 133.A ND2 GLU 250.A OE2 no hydrogen 3.483 N/A GLU 134.A N ASP 167.A OD2 no hydrogen 3.021 N/A ASN 138.A N TYR 99.A O no hydrogen 3.096 N/A LEU 139.A N ALA 136.A O no hydrogen 2.919 N/A LYS 143.A N THR 140.A OG1 no hydrogen 3.259 N/A LYS 143.A NZ ASP 103.A OD1 no hydrogen 2.691 N/A LYS 143.A NZ ASP 103.A OD2 no hydrogen 3.164 N/A TRP 144.A N THR 140.A O no hydrogen 2.792 N/A TRP 144.A NE1 ASP 167.A O no hydrogen 2.748 N/A ASN 145.A N PRO 141.A O no hydrogen 2.936 N/A ASN 145.A ND2 GLU 179.A O no hydrogen 2.827 N/A GLU 146.A N THR 142.A O no hydrogen 3.098 N/A GLU 146.A N LYS 143.A O no hydrogen 3.168 N/A LEU 147.A N LYS 143.A O no hydrogen 2.610 N/A TYR 148.A N TRP 144.A O no hydrogen 2.812 N/A TYR 148.A OH LYS 181.A O no hydrogen 2.565 N/A LYS 150.A N LEU 147.A O no hydrogen 2.943 N/A VAL 151.A N LEU 147.A O no hydrogen 3.232 N/A LEU 152.A N TYR 148.A O no hydrogen 2.826 N/A GLY 153.A N PRO 149.A O no hydrogen 2.687 N/A GLU 154.A N LYS 150.A O no hydrogen 3.046 N/A ILE 155.A N VAL 151.A O no hydrogen 2.789 N/A ARG 156.A N LEU 152.A O no hydrogen 2.830 N/A ARG 156.A NE ASP 185.A OD2 no hydrogen 2.546 N/A ARG 156.A NH1 ASN 159.A O no hydrogen 2.936 N/A ARG 156.A NH1 ARG 162.A O no hydrogen 2.806 N/A ARG 156.A NH2 ARG 162.A O no hydrogen 3.062 N/A ARG 156.A NH2 ASP 185.A OD1 no hydrogen 3.107 N/A ARG 156.A NH2 ASN 187.A O no hydrogen 3.134 N/A LYS 157.A N GLU 154.A O no hydrogen 3.200 N/A THR 158.A N ILE 155.A O no hydrogen 3.197 N/A THR 158.A OG1 ILE 155.A O no hydrogen 3.454 N/A ASN 159.A N ILE 155.A O no hydrogen 2.862 N/A ASN 159.A ND2 ALA 117.A O no hydrogen 2.891 N/A ASN 159.A ND2 THR 158.A OG1 no hydrogen 2.773 N/A ARG 162.A NE ASN 159.A OD1 no hydrogen 2.822 N/A ARG 162.A NH1 TYR 123.A O no hydrogen 3.376 N/A ARG 162.A NH1 PRO 124.A O no hydrogen 2.828 N/A ARG 162.A NH1 LEU 127.A O no hydrogen 2.940 N/A ARG 162.A NH2 LYS 121.A O no hydrogen 3.164 N/A ARG 162.A NH2 TYR 123.A O no hydrogen 2.930 N/A ARG 162.A NH2 ASN 159.A OD1 no hydrogen 3.215 N/A VAL 164.A N ASN 187.A O no hydrogen 3.011 N/A ILE 165.A N PHE 129.A O no hydrogen 2.708 N/A ILE 166.A N ILE 189.A O no hydrogen 2.787 N/A VAL 168.A N SER 191.A O no hydrogen 2.905 N/A TRP 171.A N PRO 135.A O no hydrogen 2.799 N/A SER 172.A N PRO 169.A O no hydrogen 3.092 N/A SER 172.A OG ASP 167.A OD2 no hydrogen 3.489 N/A SER 172.A OG VAL 168.A O no hydrogen 2.647 N/A ASN 173.A N ASN 170.A O no hydrogen 3.278 N/A SER 175.A N ASN 173.A OD1 no hydrogen 3.062 N/A SER 175.A OG ASN 173.A OD1 no hydrogen 2.971 N/A TYR 176.A N ASN 173.A O no hydrogen 3.232 N/A VAL 177.A N TYR 174.A O no hydrogen 3.196 N/A GLU 179.A N TYR 176.A O no hydrogen 3.031 N/A LEU 180.A N VAL 177.A O no hydrogen 3.235 N/A LYS 181.A N ASN 145.A OD1 no hydrogen 2.845 N/A ASN 187.A N ASP 185.A OD1 no hydrogen 2.980 N/A ILE 189.A N VAL 164.A O no hydrogen 3.080 N/A VAL 190.A N PRO 245.A O no hydrogen 3.070 N/A SER 191.A N ILE 166.A O no hydrogen 2.915 N/A SER 191.A OG PHE 247.A O no hydrogen 2.859 N/A PHE 192.A N PHE 247.A O no hydrogen 3.102 N/A HIS 193.A N SER 172.A O no hydrogen 2.854 N/A HIS 193.A ND1 GLU 134.A OE2 no hydrogen 2.565 N/A TYR 194.A N GLU 250.A O no hydrogen 2.872 N/A TYR 194.A OH HIS 231.A ND1 no hydrogen 2.600 N/A TYR 195.A OH GLU 250.A OE1 no hydrogen 2.762 N/A PHE 200.A N PRO 197.A O no hydrogen 2.879 N/A THR 201.A N PRO 197.A O no hydrogen 3.058 N/A THR 201.A OG1 TYR 195.A O no hydrogen 2.672 N/A HIS 202.A N PHE 198.A O no hydrogen 2.934 N/A GLN 203.A N PHE 200.A O no hydrogen 3.394 N/A GLN 203.A NE2 PHE 200.A O no hydrogen 2.957 N/A GLN 203.A NE2 VAL 216.A O no hydrogen 2.753 N/A GLY 204.A N LEU 212.A O no hydrogen 2.894 N/A ALA 205.A N HIS 202.A O no hydrogen 3.249 N/A VAL 208.A N ALA 205.A O no hydrogen 3.074 N/A THR 211.A OG1 VAL 208.A O no hydrogen 3.375 N/A VAL 216.A N GLN 203.A OE1 no hydrogen 2.845 N/A TRP 218.A N SER 261.A OG no hydrogen 2.861 N/A GLU 219.A N GLU 224.A OE1 no hydrogen 2.999 N/A GLU 219.A N GLU 224.A OE2 no hydrogen 3.341 N/A LYS 221.A N GLU 224.A OE1 no hydrogen 2.836 N/A VAL 225.A N LYS 221.A O no hydrogen 2.983 N/A GLU 226.A N ASP 222.A O no hydrogen 3.018 N/A GLN 227.A N TRP 223.A O no hydrogen 2.981 N/A ARG 229.A N VAL 225.A O no hydrogen 2.937 N/A ASN 230.A N GLU 226.A O no hydrogen 2.887 N/A HIS 231.A N GLN 227.A O no hydrogen 3.072 N/A HIS 231.A ND1 TYR 194.A OH no hydrogen 2.600 N/A PHE 232.A N ILE 228.A O no hydrogen 3.075 N/A LYS 233.A N ARG 229.A O no hydrogen 2.863 N/A TYR 234.A N ASN 230.A O no hydrogen 3.125 N/A VAL 235.A N HIS 231.A O no hydrogen 3.281 N/A SER 236.A N PHE 232.A O no hydrogen 2.691 N/A GLU 237.A N LYS 233.A O no hydrogen 2.767 N/A TRP 238.A N TYR 234.A O no hydrogen 3.441 N/A ALA 239.A N VAL 235.A O no hydrogen 2.960 N/A LYS 240.A N SER 236.A O no hydrogen 2.983 N/A LYS 241.A N GLU 237.A O no hydrogen 3.103 N/A ASN 242.A N TRP 238.A O no hydrogen 3.060 N/A ASN 243.A N LYS 240.A O no hydrogen 3.188 N/A VAL 244.A N ALA 239.A O no hydrogen 3.108 N/A PHE 247.A N VAL 190.A O no hydrogen 2.842 N/A LEU 248.A N SER 279.A O no hydrogen 2.778 N/A GLY 249.A N PHE 192.A O no hydrogen 2.859 N/A TYR 254.A N THR 201.A O no hydrogen 2.752 N/A SER 255.A N GLY 288.A O no hydrogen 3.069 N/A SER 255.A OG GLY 288.A O no hydrogen 2.533 N/A LYS 256.A NZ GLY 204.A O no hydrogen 3.533 N/A ALA 257.A N TYR 254.A O no hydrogen 2.919 N/A SER 261.A N ASP 258.A OD2 no hydrogen 2.909 N/A SER 261.A OG TRP 218.A O no hydrogen 3.046 N/A SER 261.A OG ASP 258.A OD1 no hydrogen 2.797 N/A SER 261.A OG ASP 258.A OD2 no hydrogen 3.265 N/A ARG 262.A N ASP 258.A O no hydrogen 3.042 N/A ARG 262.A NE ALA 253.A O no hydrogen 2.843 N/A ARG 262.A NH2 ALA 253.A O no hydrogen 3.032 N/A VAL 263.A N MET 259.A O no hydrogen 2.898 N/A LYS 264.A N GLU 260.A O no hydrogen 3.197 N/A TRP 265.A N SER 261.A O no hydrogen 2.880 N/A TRP 265.A NE1 GLU 196.A O no hydrogen 2.597 N/A THR 266.A N ARG 262.A O no hydrogen 2.728 N/A THR 266.A OG1 ARG 262.A O no hydrogen 2.688 N/A LYS 267.A N VAL 263.A O no hydrogen 2.999 N/A THR 268.A N LYS 264.A O no hydrogen 3.034 N/A THR 268.A OG1 LYS 264.A O no hydrogen 2.682 N/A VAL 269.A N TRP 265.A O no hydrogen 2.982 N/A ARG 270.A N THR 266.A O no hydrogen 3.014 N/A ARG 270.A NE SER 306.A O no hydrogen 2.968 N/A ARG 270.A NH1 SER 306.A O no hydrogen 3.182 N/A ARG 270.A NH2 GLU 274.A OE1 no hydrogen 3.455 N/A ARG 271.A N LYS 267.A O no hydrogen 2.961 N/A ILE 272.A N THR 268.A O no hydrogen 2.952 N/A ALA 273.A N VAL 269.A O no hydrogen 3.073 N/A GLU 274.A N ARG 270.A O no hydrogen 3.056 N/A GLU 275.A N ARG 271.A O no hydrogen 2.918 N/A PHE 276.A N ILE 272.A O no hydrogen 3.089 N/A PHE 276.A N ALA 273.A O no hydrogen 3.145 N/A GLY 277.A N GLU 274.A O no hydrogen 3.052 N/A PHE 278.A N ALA 273.A O no hydrogen 2.842 N/A SER 279.A N ILE 246.A O no hydrogen 3.086 N/A SER 279.A OG ASN 7.A OD1 no hydrogen 2.573 N/A SER 279.A OG ILE 246.A O no hydrogen 3.519 N/A LEU 280.A N GLY 11.A O no hydrogen 3.012 N/A ALA 281.A N LEU 248.A O no hydrogen 3.012 N/A TYR 282.A N GLY 13.A O no hydrogen 3.020 N/A TYR 282.A OH PHE 289.A O no hydrogen 2.769 N/A TRP 283.A N PHE 251.A O no hydrogen 2.907 N/A PHE 285.A N ASN 15.A O no hydrogen 2.859 N/A CYS 286.A N GLU 284.A OE2 no hydrogen 2.994 N/A ALA 287.A N GLU 284.A OE2 no hydrogen 2.830 N/A PHE 289.A N GLU 284.A OE1 no hydrogen 2.818 N/A GLY 290.A N ALA 287.A O no hydrogen 2.846 N/A LEU 291.A N PHE 285.A O no hydrogen 2.875 N/A TYR 292.A N PHE 285.A O no hydrogen 3.001 N/A ASP 293.A N THR 298.A O no hydrogen 3.024 N/A ARG 294.A NH1 CYS 286.A O no hydrogen 3.367 N/A ARG 294.A NH2 GLY 29.A O no hydrogen 2.707 N/A TRP 295.A N ASP 293.A OD1 no hydrogen 2.834 N/A THR 296.A N ASP 293.A OD1 no hydrogen 2.796 N/A THR 296.A OG1 THR 298.A OG1 no hydrogen 3.058 N/A LYS 297.A N ASP 293.A O no hydrogen 2.789 N/A THR 298.A OG1 THR 296.A OG1 no hydrogen 3.058 N/A ILE 300.A N LEU 291.A O no hydrogen 2.748 N/A THR 304.A N ILE 300.A O no hydrogen 2.908 N/A THR 304.A OG1 ILE 300.A O no hydrogen 2.796 N/A THR 305.A N GLU 301.A OE1 no hydrogen 3.234 N/A THR 305.A OG1 GLU 301.A OE1 no hydrogen 2.496 N/A SER 306.A N PRO 302.A O no hydrogen 2.858 N/A SER 306.A OG VAL 263.A O no hydrogen 3.406 N/A SER 306.A OG PRO 302.A O no hydrogen 3.085 N/A ALA 307.A N LEU 303.A O no hydrogen 2.971 N/A LEU 308.A N THR 304.A O no hydrogen 2.882 N/A GLY 309.A N THR 305.A O no hydrogen 2.626 N/A