Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2r2j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A OG1 PHE 52.A O no hydrogen 3.433 N/A LEU 3.A N ARG 54.A O no hydrogen 2.900 N/A ASP 4.A N ASN 7.A OD1 no hydrogen 2.685 N/A THR 5.A OG1 ASP 62.A OD2 no hydrogen 2.796 N/A ASN 7.A N ASP 4.A O no hydrogen 3.061 N/A ASN 7.A ND2 SER 2.A O no hydrogen 3.328 N/A ILE 8.A N ASP 4.A O no hydrogen 2.812 N/A ILE 11.A N ASN 7.A O no hydrogen 3.330 N/A LEU 12.A N ILE 8.A O no hydrogen 3.155 N/A ASN 13.A N ASP 9.A O no hydrogen 3.158 N/A ASN 14.A ND2 GLU 10.A O no hydrogen 3.214 N/A ALA 15.A N ILE 11.A O no hydrogen 3.228 N/A VAL 17.A N GLN 49.A O no hydrogen 3.128 N/A ALA 18.A N PHE 78.A O no hydrogen 2.788 N/A LEU 19.A N VAL 51.A O no hydrogen 3.003 N/A VAL 20.A N LYS 76.A O no hydrogen 2.836 N/A ASN 21.A N ALA 53.A O no hydrogen 2.907 N/A PHE 22.A N THR 74.A O no hydrogen 2.756 N/A TYR 23.A N VAL 55.A O no hydrogen 2.845 N/A TRP 26.A NE1 ASP 58.A OD2 no hydrogen 2.756 N/A CYS 27.A N ALA 24.A O no hydrogen 3.235 N/A CYS 27.A SG SER 30.A OG no hydrogen 3.185 N/A CYS 27.A SG TYR 72.A O no hydrogen 3.493 N/A CYS 27.A SG THR 317.A OG1 no hydrogen 2.874 N/A GLN 31.A N CYS 27.A O no hydrogen 2.918 N/A GLN 31.A NE2 ASP 25.A O no hydrogen 2.442 N/A HIS 33.A N SER 30.A O no hydrogen 2.964 N/A ILE 35.A N LEU 32.A O no hydrogen 2.603 N/A PHE 36.A N LEU 32.A O no hydrogen 3.065 N/A GLU 37.A N HIS 33.A O no hydrogen 3.128 N/A GLU 38.A N PRO 34.A O no hydrogen 3.172 N/A ALA 39.A N ILE 35.A O no hydrogen 2.989 N/A SER 40.A N PHE 36.A O no hydrogen 3.100 N/A SER 40.A OG GLU 37.A O no hydrogen 2.755 N/A SER 40.A OG ASP 41.A OD1 no hydrogen 3.189 N/A ASP 41.A N GLU 37.A O no hydrogen 3.396 N/A VAL 42.A N GLU 38.A O no hydrogen 2.961 N/A ILE 43.A N ALA 39.A O no hydrogen 2.843 N/A LYS 44.A N SER 40.A O no hydrogen 3.214 N/A GLU 46.A N ILE 43.A O no hydrogen 3.282 N/A VAL 51.A N VAL 17.A O no hydrogen 3.024 N/A ALA 53.A N LEU 19.A O no hydrogen 2.967 N/A ARG 54.A N THR 1.A O no hydrogen 2.942 N/A ARG 54.A NH2 GLU 37.A OE1 no hydrogen 2.770 N/A VAL 55.A N ASN 21.A O no hydrogen 2.881 N/A CYS 57.A N TYR 23.A O no hydrogen 2.950 N/A CYS 57.A SG VAL 55.A O no hydrogen 4.016 N/A ASP 58.A N ASP 56.A OD1 no hydrogen 2.935 N/A GLN 59.A N ASP 56.A OD1 no hydrogen 3.061 N/A HIS 60.A N ASP 56.A O no hydrogen 2.922 N/A ALA 64.A N HIS 60.A O no hydrogen 3.071 N/A GLN 65.A N SER 61.A O no hydrogen 3.023 N/A GLN 65.A NE2.B SER 61.A O no hydrogen 3.474 N/A ARG 66.A N ASP 62.A O no hydrogen 3.323 N/A TYR 67.A N ILE 63.A O no hydrogen 3.136 N/A TYR 67.A N ALA 64.A O no hydrogen 3.196 N/A ARG 68.A N GLN 65.A O no hydrogen 3.474 N/A ILE 69.A N ALA 64.A O no hydrogen 3.329 N/A SER 70.A OG GLU 198.A OE2 no hydrogen 2.386 N/A LYS 71.A NZ GLU 198.A OE1 no hydrogen 2.727 N/A TYR 72.A N THR 317.A O no hydrogen 2.929 N/A THR 74.A N PHE 22.A O no hydrogen 2.999 N/A THR 74.A OG1 LYS 71.A O no hydrogen 2.582 N/A LYS 76.A N VAL 20.A O no hydrogen 2.903 N/A LYS 76.A NZ GLU 84.A OE2 no hydrogen 3.002 N/A PHE 78.A N ALA 18.A O no hydrogen 2.772 N/A ARG 79.A NH2 GLN 101.A O no hydrogen 2.971 N/A ARG 79.A NH2 GLN 101.A OE1 no hydrogen 2.886 N/A ASN 80.A N ALA 15.A O no hydrogen 2.947 N/A ARG 83.A NH2 ASP 138.A OD1 no hydrogen 2.758 N/A GLU 84.A N GLU 195.A OE2 no hydrogen 2.595 N/A TYR 85.A N LEU 75.A O no hydrogen 3.393 N/A TYR 85.A OH GLN 88.A O no hydrogen 2.237 N/A ARG 86.A NH1 GLU 198.A OE1 no hydrogen 2.702 N/A ARG 86.A NH2 GLU 194.A OE1 no hydrogen 3.000 N/A ARG 86.A NH2 GLU 198.A OE1 no hydrogen 2.720 N/A ARG 89.A NH1 ARG 315.A O no hydrogen 2.891 N/A ARG 89.A NH2 ARG 315.A O no hydrogen 2.876 N/A SER 90.A OG GLN 88.A OE1 no hydrogen 2.674 N/A LYS 92.A NZ ASP 96.A OD2 no hydrogen 3.076 N/A ALA 93.A N SER 90.A OG no hydrogen 3.180 N/A LEU 94.A N SER 90.A O no hydrogen 3.041 N/A ALA 95.A N VAL 91.A O no hydrogen 2.938 N/A ASP 96.A N LYS 92.A O no hydrogen 2.811 N/A TYR 97.A N ALA 93.A O no hydrogen 2.899 N/A ILE 98.A N LEU 94.A O no hydrogen 3.024 N/A ARG 99.A N ALA 95.A O no hydrogen 3.008 N/A ARG 99.A NE GLU 45.A OE1 no hydrogen 3.273 N/A GLN 100.A N ASP 96.A O no hydrogen 2.754 N/A GLN 101.A N TYR 97.A O no hydrogen 2.796 N/A LYS 102.A N ILE 98.A O no hydrogen 2.747 N/A SER 103.A N GLN 100.A O no hydrogen 3.145 N/A SER 103.A OG GLN 100.A O no hydrogen 2.694 N/A SER 103.A OG GLN 100.A OE1 no hydrogen 3.332 N/A GLN 107.A N PHE 141.A O no hydrogen 3.393 N/A ILE 109.A N SER 143.A O no hydrogen 2.711 N/A ARG 111.A NE TYR 153.A OH no hydrogen 3.265 N/A ARG 111.A NE LYS 180.A O no hydrogen 3.339 N/A ASN 112.A N LYS 154.A O no hydrogen 3.024 N/A ILE 113.A N ALA 140.A O no hydrogen 2.698 N/A ILE 114.A N ILE 152.A O no hydrogen 2.870 N/A GLY 115.A N LEU 142.A O no hydrogen 2.842 N/A TYR 116.A N ASN 150.A O no hydrogen 2.750 N/A PHE 117.A N ALA 144.A O no hydrogen 3.111 N/A GLU 118.A N ASP 149.A OD1 no hydrogen 2.815 N/A SER 122.A OG GLN 119.A O no hydrogen 2.633 N/A ASN 124.A ND2 ASP 149.A OD2 no hydrogen 3.311 N/A ARG 126.A N SER 122.A O no hydrogen 3.368 N/A VAL 127.A N ASP 123.A O no hydrogen 3.046 N/A PHE 128.A N ASN 124.A O no hydrogen 2.718 N/A GLU 129.A N TYR 125.A O no hydrogen 2.611 N/A ARG 130.A N ARG 126.A O no hydrogen 2.904 N/A VAL 131.A N VAL 127.A O no hydrogen 3.095 N/A ALA 132.A N PHE 128.A O no hydrogen 2.815 N/A ASN 133.A N GLU 129.A O no hydrogen 2.771 N/A ILE 134.A N ARG 130.A O no hydrogen 3.328 N/A ILE 134.A N VAL 131.A O no hydrogen 2.798 N/A LEU 135.A N VAL 131.A O no hydrogen 2.869 N/A HIS 136.A NE2 GLN 101.A OE1 no hydrogen 2.841 N/A ASP 138.A N LEU 135.A O no hydrogen 2.987 N/A CYS 139.A N LEU 135.A O no hydrogen 3.184 N/A CYS 139.A SG ARG 111.A O no hydrogen 3.388 N/A CYS 139.A SG ALA 140.A O no hydrogen 3.597 N/A ALA 140.A N ARG 111.A O no hydrogen 3.202 N/A LEU 142.A N ILE 113.A O no hydrogen 2.978 N/A SER 143.A N GLN 107.A O no hydrogen 2.969 N/A ALA 144.A N GLY 115.A O no hydrogen 3.073 N/A GLY 146.A N PHE 117.A O no hydrogen 3.249 N/A ASN 150.A N TYR 116.A O no hydrogen 3.068 N/A ILE 152.A N ILE 114.A O no hydrogen 2.829 N/A LYS 154.A N ASN 112.A O no hydrogen 2.742 N/A LYS 154.A NZ ASP 162.A OD1 no hydrogen 3.053 N/A LYS 154.A NZ ASP 162.A OD2 no hydrogen 3.095 N/A TYR 164.A N ILE 151.A O no hydrogen 2.898 N/A TYR 164.A OH ALA 167.A O no hydrogen 2.991 N/A TYR 164.A OH THR 173.A OG1 no hydrogen 3.064 N/A THR 168.A N ASN 124.A OD1 no hydrogen 3.319 N/A ASN 169.A N ALA 167.A O no hydrogen 3.231 N/A VAL 172.A N ASN 169.A OD1 no hydrogen 3.088 N/A THR 173.A N ASN 169.A O no hydrogen 3.151 N/A THR 173.A OG1 TYR 164.A OH no hydrogen 3.064 N/A THR 173.A OG1 ASN 169.A O no hydrogen 2.713 N/A TYR 174.A N PHE 170.A O no hydrogen 2.922 N/A ASN 175.A N ASP 171.A O no hydrogen 2.873 N/A TRP 176.A N VAL 172.A O no hydrogen 2.791 N/A ILE 177.A N THR 173.A O no hydrogen 3.075 N/A GLN 178.A N TYR 174.A O no hydrogen 2.947 N/A ASP 179.A N ASN 175.A O no hydrogen 3.045 N/A LYS 180.A N TRP 176.A O no hydrogen 3.177 N/A LYS 180.A NZ ASP 179.A OD1 no hydrogen 3.156 N/A CYS 181.A N ILE 177.A O no hydrogen 2.974 N/A CYS 181.A SG ILE 177.A O no hydrogen 3.479 N/A VAL 182.A N GLN 178.A O no hydrogen 2.985 N/A ARG 186.A N PHE 235.A O no hydrogen 3.124 N/A ARG 186.A NH1 GLU 199.A OE1 no hydrogen 3.097 N/A ARG 186.A NH2 GLU 199.A OE2 no hydrogen 2.986 N/A ARG 186.A NH2 ASN 234.A OD1 no hydrogen 2.974 N/A ILE 188.A N HIS 237.A O no hydrogen 2.996 N/A THR 189.A N ASN 192.A OD1 no hydrogen 2.899 N/A ASN 192.A N THR 189.A OG1 no hydrogen 3.075 N/A ASN 192.A ND2 GLU 187.A O no hydrogen 2.917 N/A GLY 193.A N THR 189.A O no hydrogen 2.639 N/A LEU 196.A N ASN 192.A O no hydrogen 3.276 N/A THR 197.A N GLY 193.A O no hydrogen 3.019 N/A THR 197.A OG1 GLU 194.A O no hydrogen 2.611 N/A GLU 198.A N GLU 194.A O no hydrogen 3.224 N/A GLU 198.A N GLU 195.A O no hydrogen 2.959 N/A GLU 199.A N LEU 196.A O no hydrogen 3.169 N/A GLY 200.A N THR 197.A O no hydrogen 3.015 N/A PHE 203.A N ASP 263.A O no hydrogen 2.925 N/A LEU 204.A N ASN 234.A O no hydrogen 2.820 N/A ILE 205.A N ALA 261.A O no hydrogen 2.835 N/A LEU 206.A N LEU 236.A O no hydrogen 3.015 N/A PHE 207.A N VAL 259.A O no hydrogen 2.790 N/A HIS 208.A N ALA 238.A O no hydrogen 2.829 N/A HIS 208.A ND1 ASP 211.A O no hydrogen 3.064 N/A HIS 208.A NE2 HIS 237.A ND1 no hydrogen 2.783 N/A THR 212.A OG1 GLU 210.A O no hydrogen 3.062 N/A SER 214.A N ASP 211.A OD1 no hydrogen 2.838 N/A SER 214.A OG ASP 211.A OD1 no hydrogen 2.961 N/A SER 214.A OG ASP 211.A OD2 no hydrogen 2.607 N/A GLU 216.A N THR 212.A O no hydrogen 2.884 N/A ILE 217.A N GLU 213.A O no hydrogen 3.213 N/A PHE 218.A N SER 214.A O no hydrogen 3.044 N/A GLN 219.A N LEU 215.A O no hydrogen 2.726 N/A ASN 220.A N GLU 216.A O no hydrogen 3.110 N/A GLU 221.A N ILE 217.A O no hydrogen 3.119 N/A VAL 222.A N PHE 218.A O no hydrogen 2.849 N/A ALA 223.A N GLN 219.A O no hydrogen 3.144 N/A ARG 224.A N ASN 220.A O no hydrogen 2.734 N/A ARG 224.A NE GLU 221.A OE2 no hydrogen 3.453 N/A GLN 225.A N GLU 221.A O no hydrogen 2.875 N/A GLN 225.A N VAL 222.A O no hydrogen 3.262 N/A GLN 225.A NE2 GLU 221.A OE1 no hydrogen 2.591 N/A GLN 225.A NE2 VAL 276.A O no hydrogen 3.523 N/A LEU 226.A N VAL 222.A O no hydrogen 2.709 N/A SER 228.A OG.B GLU 229.A OE1 no hydrogen 2.838 N/A GLU 229.A N LEU 226.A O no hydrogen 2.645 N/A LYS 230.A N ILE 227.A O no hydrogen 3.105 N/A THR 232.A OG1 GLU 229.A O no hydrogen 3.116 N/A THR 232.A OG1 HIS 290.A NE2 no hydrogen 2.935 N/A ASN 234.A N PRO 202.A O no hydrogen 2.744 N/A ASN 234.A ND2 GLU 199.A OE2 no hydrogen 2.967 N/A LEU 236.A N LEU 204.A O no hydrogen 2.803 N/A HIS 237.A N ARG 186.A O no hydrogen 2.861 N/A HIS 237.A ND1 HIS 208.A NE2 no hydrogen 2.783 N/A ALA 238.A N LEU 206.A O no hydrogen 2.625 N/A CYS 240.A N HIS 208.A O no hydrogen 3.015 N/A ASP 241.A N ASP 239.A OD2 no hydrogen 2.916 N/A LYS 242.A N ASP 239.A O no hydrogen 3.162 N/A PHE 243.A N ASP 239.A O no hydrogen 3.158 N/A LEU 247.A N PHE 243.A O no hydrogen 3.382 N/A LEU 248.A N ARG 244.A O no hydrogen 2.891 N/A LEU 248.A N HIS 245.A O no hydrogen 2.886 N/A HIS 249.A N HIS 245.A O no hydrogen 3.352 N/A HIS 249.A ND1 GLU 303.A O no hydrogen 3.035 N/A GLN 251.A N LEU 248.A O no hydrogen 2.887 N/A GLN 251.A NE2 HIS 249.A O no hydrogen 2.927 N/A LYS 252.A N LEU 247.A O no hydrogen 2.794 N/A THR 253.A N ASP 256.A OD1 no hydrogen 2.698 N/A THR 253.A OG1 ASP 256.A OD1 no hydrogen 3.373 N/A ASP 256.A N THR 253.A O no hydrogen 2.992 N/A CYS 257.A N PRO 254.A O no hydrogen 2.958 N/A CYS 257.A SG THR 253.A O no hydrogen 3.852 N/A VAL 259.A N PHE 207.A O no hydrogen 3.020 N/A ALA 261.A N ILE 205.A O no hydrogen 2.946 N/A ILE 262.A N TYR 268.A O no hydrogen 2.791 N/A ASP 263.A N PHE 203.A O no hydrogen 2.939 N/A SER 264.A N HIS 267.A O no hydrogen 2.951 N/A SER 264.A OG HIS 267.A O no hydrogen 3.253 N/A PHE 265.A N ASP 263.A OD1 no hydrogen 2.967 N/A ARG 266.A N SER 264.A OG no hydrogen 3.108 N/A HIS 267.A N SER 264.A OG no hydrogen 3.092 N/A HIS 267.A ND1 PRO 302.A O no hydrogen 3.164 N/A TYR 268.A OH HIS 295.A ND1 no hydrogen 2.740 N/A PHE 270.A N ILE 260.A O no hydrogen 2.938 N/A ASP 275.A N ASP 272.A O no hydrogen 3.301 N/A VAL 276.A N PHE 273.A O no hydrogen 2.574 N/A LEU 277.A N LYS 274.A O no hydrogen 3.228 N/A ILE 278.A N ASP 275.A O no hydrogen 3.046 N/A LYS 281.A N ILE 278.A O no hydrogen 3.171 N/A GLN 284.A N GLY 280.A O no hydrogen 3.066 N/A PHE 285.A N LYS 281.A O no hydrogen 2.758 N/A VAL 286.A N LEU 282.A O no hydrogen 3.107 N/A PHE 287.A N LYS 283.A O no hydrogen 2.733 N/A ASP 288.A N GLN 284.A O no hydrogen 2.754 N/A LEU 289.A N PHE 285.A O no hydrogen 3.319 N/A HIS 290.A N VAL 286.A O no hydrogen 3.402 N/A HIS 290.A NE2 THR 232.A OG1 no hydrogen 2.935 N/A SER 291.A N PHE 287.A O no hydrogen 2.894 N/A SER 291.A OG PHE 287.A O no hydrogen 3.413 N/A SER 291.A OG ASP 288.A O no hydrogen 3.430 N/A GLY 292.A N LEU 289.A O no hydrogen 3.341 N/A HIS 295.A N GLY 292.A O no hydrogen 3.164 N/A HIS 295.A ND1 TYR 268.A OH no hydrogen 2.740 N/A SER 300.A OG PRO 301.A O no hydrogen 3.391 N/A SER 304.A OG ASP 263.A OD1 no hydrogen 2.491 N/A SER 304.A OG ASP 263.A OD2 no hydrogen 3.159 N/A SER 305.A N ASP 263.A OD2 no hydrogen 2.927 N/A PHE 306.A N ASP 263.A OD2 no hydrogen 2.716 N/A GLN 307.A N SER 304.A OG no hydrogen 2.992 N/A LYS 308.A N SER 305.A O no hydrogen 3.194 N/A LEU 309.A N PHE 306.A O no hydrogen 3.044 N/A ALA 310.A N GLN 307.A O no hydrogen 3.221 N/A TYR 314.A N SER 312.A OG no hydrogen 3.095 N/A ARG 315.A N SER 312.A O no hydrogen 3.052 N/A ARG 315.A NH1 GLY 87.A O no hydrogen 3.169 N/A ARG 315.A NH2 GLY 87.A O no hydrogen 3.154 N/A THR 317.A N TYR 72.A O no hydrogen 2.925 N/A LEU 319.A N SER 70.A O no hydrogen 2.856 N/A