Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i2n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N THR 344.A OG1 no hydrogen 2.828 N/A ILE 6.A N ILE 342.A O no hydrogen 2.890 N/A HIS 8.A N VAL 340.A O no hydrogen 2.816 N/A ILE 9.A N VAL 340.A O no hydrogen 3.000 N/A LYS 11.A N VAL 338.A O no hydrogen 3.013 N/A PHE 13.A N GLN 336.A O no hydrogen 2.703 N/A TYR 15.A OH THR 31.A OG1 no hydrogen 2.754 N/A THR 16.A N ASN 34.A O no hydrogen 3.054 N/A THR 16.A OG1 ASN 34.A OD1 no hydrogen 3.127 N/A PHE 18.A N MET 32.A O no hydrogen 2.767 N/A ASP 19.A N MET 32.A O no hydrogen 3.319 N/A CYS 20.A SG SER 318.A OG no hydrogen 3.406 N/A LYS 21.A N VAL 30.A O no hydrogen 3.001 N/A TRP 22.A N ASP 320.A OD2 no hydrogen 2.922 N/A TRP 22.A NE1 ASP 320.A O no hydrogen 2.812 N/A VAL 23.A N LYS 28.A O no hydrogen 2.825 N/A SER 26.A N ASP 324.A OD2 no hydrogen 3.091 N/A SER 26.A OG VAL 23.A O no hydrogen 2.592 N/A SER 26.A OG LYS 28.A O no hydrogen 3.388 N/A LYS 28.A N SER 26.A OG no hydrogen 2.822 N/A PHE 29.A N TYR 43.A O no hydrogen 2.903 N/A VAL 30.A N LYS 21.A O no hydrogen 2.829 N/A THR 31.A N GLN 41.A O no hydrogen 2.921 N/A THR 31.A OG1 TYR 15.A OH no hydrogen 2.754 N/A MET 32.A N ASP 19.A O no hydrogen 3.114 N/A GLY 33.A N VAL 39.A O no hydrogen 2.887 N/A ASN 34.A N THR 16.A O no hydrogen 2.934 N/A THR 37.A OG1 GLU 57.A OE2 no hydrogen 2.526 N/A GLY 38.A N LYS 58.A O no hydrogen 2.799 N/A VAL 39.A N GLY 33.A O no hydrogen 2.948 N/A ILE 40.A N ILE 56.A O no hydrogen 3.066 N/A GLN 41.A N THR 31.A O no hydrogen 2.784 N/A LEU 42.A N ARG 54.A O no hydrogen 2.986 N/A TYR 43.A N PHE 29.A O no hydrogen 2.763 N/A GLU 44.A N LYS 51.A O no hydrogen 2.960 N/A ILE 45.A N ALA 27.A O no hydrogen 2.967 N/A GLN 46.A N ASP 49.A O no hydrogen 2.745 N/A GLN 46.A NE2 GLU 44.A OE1 no hydrogen 3.182 N/A LYS 51.A N GLU 44.A O no hydrogen 2.899 N/A LEU 53.A N LEU 42.A O no hydrogen 2.718 N/A ARG 54.A N LEU 42.A O no hydrogen 3.412 N/A ILE 56.A N ILE 40.A O no hydrogen 2.883 N/A LYS 58.A N GLY 38.A O no hydrogen 2.699 N/A LYS 58.A NZ PRO 94.A O no hydrogen 2.637 N/A ILE 62.A N GLY 33.A O no hydrogen 3.088 N/A LYS 63.A N GLY 80.A O no hydrogen 2.852 N/A LYS 63.A NZ ASN 109.A O no hydrogen 2.760 N/A CYS 64.A N GLY 80.A O no hydrogen 3.350 N/A CYS 64.A SG ILE 108.A O no hydrogen 3.756 N/A GLY 65.A N ASP 19.A OD2 no hydrogen 2.964 N/A THR 66.A N ALA 78.A O no hydrogen 2.977 N/A GLY 68.A N THR 66.A OG1 no hydrogen 3.156 N/A THR 70.A N PHE 67.A O no hydrogen 3.032 N/A GLN 74.A N SER 71.A OG no hydrogen 3.305 N/A ARG 75.A N SER 71.A O no hydrogen 2.640 N/A ARG 75.A NE PRO 24.A O no hydrogen 2.777 N/A ARG 75.A NH2 CYS 25.A O no hydrogen 3.047 N/A TYR 76.A N THR 70.A OG1 no hydrogen 2.503 N/A LEU 77.A N TRP 89.A O no hydrogen 3.023 N/A ALA 78.A N THR 66.A O no hydrogen 3.124 N/A THR 79.A N HIS 87.A O no hydrogen 2.728 N/A GLY 80.A N CYS 64.A O no hydrogen 2.978 N/A ASP 81.A N ASN 85.A O no hydrogen 3.006 N/A PHE 82.A N PRO 61.A O no hydrogen 2.965 N/A GLY 83.A N ASP 81.A OD1 no hydrogen 2.944 N/A GLY 84.A N ASP 81.A O no hydrogen 3.274 N/A ASN 85.A N ASP 81.A OD1 no hydrogen 2.888 N/A ASN 85.A ND2 ASP 81.A OD1 no hydrogen 2.991 N/A ASN 85.A ND2 ASP 81.A OD2 no hydrogen 3.115 N/A LEU 86.A N VAL 101.A O no hydrogen 2.921 N/A HIS 87.A N THR 79.A O no hydrogen 2.968 N/A ILE 88.A N TYR 99.A O no hydrogen 2.993 N/A TRP 89.A N LEU 77.A O no hydrogen 2.857 N/A TRP 89.A NE1 THR 79.A OG1 no hydrogen 3.027 N/A GLU 92.A N ASN 90.A OD1 no hydrogen 2.722 N/A ALA 93.A N ASN 90.A O no hydrogen 2.957 N/A ALA 93.A N ASN 90.A OD1 no hydrogen 3.217 N/A VAL 98.A N ILE 88.A O no hydrogen 2.849 N/A TYR 99.A OH GLN 142.A O no hydrogen 2.761 N/A VAL 101.A N LEU 86.A O no hydrogen 3.135 N/A HIS 104.A N GLY 84.A O no hydrogen 3.083 N/A HIS 104.A ND1 ASP 132.A OD1 no hydrogen 3.274 N/A HIS 104.A NE2 THR 128.A OG1 no hydrogen 2.727 N/A LYS 105.A N ASP 132.A OD2 no hydrogen 2.852 N/A ILE 108.A N ASP 81.A O no hydrogen 3.212 N/A ASN 109.A N GLY 129.A O no hydrogen 2.889 N/A ASN 109.A ND2 CYS 161.A O no hydrogen 2.876 N/A ALA 110.A N GLY 129.A O no hydrogen 3.191 N/A ASP 112.A N VAL 127.A O no hydrogen 2.956 N/A GLY 113.A N ASP 112.A OD1 no hydrogen 2.869 N/A ILE 114.A N GLU 125.A O no hydrogen 2.872 N/A GLY 115.A N ILE 119.A O no hydrogen 2.753 N/A GLY 116.A N GLY 68.A O no hydrogen 3.068 N/A LEU 117.A N THR 70.A O no hydrogen 2.698 N/A ILE 119.A N GLY 116.A O no hydrogen 2.908 N/A GLU 121.A N ALA 169.A O no hydrogen 3.211 N/A GLU 125.A N ILE 114.A O no hydrogen 2.985 N/A ILE 126.A N TRP 138.A O no hydrogen 2.962 N/A VAL 127.A N ASP 112.A O no hydrogen 2.879 N/A THR 128.A N LYS 136.A O no hydrogen 3.013 N/A THR 128.A OG1 HIS 104.A NE2 no hydrogen 2.727 N/A THR 128.A OG1 LYS 136.A O no hydrogen 3.358 N/A GLY 129.A N ALA 110.A O no hydrogen 2.829 N/A SER 130.A N THR 134.A O no hydrogen 3.120 N/A SER 130.A OG GLU 106.A O no hydrogen 3.270 N/A SER 130.A OG ILE 107.A O no hydrogen 3.093 N/A ARG 131.A N ILE 107.A O no hydrogen 2.941 N/A ARG 131.A NH1 ASP 160.A OD2 no hydrogen 2.880 N/A ASP 132.A N SER 130.A OG no hydrogen 2.833 N/A GLY 133.A N SER 130.A O no hydrogen 2.977 N/A THR 134.A N ASP 132.A OD1 no hydrogen 2.897 N/A THR 134.A OG1 ASP 132.A OD1 no hydrogen 2.545 N/A VAL 135.A N MET 150.A O no hydrogen 2.952 N/A LYS 136.A N THR 128.A O no hydrogen 2.942 N/A LYS 136.A NZ GLY 103.A O no hydrogen 2.713 N/A VAL 137.A N ALA 148.A O no hydrogen 2.911 N/A TRP 138.A N ILE 126.A O no hydrogen 2.742 N/A TRP 138.A NE1 THR 128.A OG1 no hydrogen 2.876 N/A ARG 141.A N ASP 139.A OD1 no hydrogen 2.848 N/A ARG 141.A NE ASP 139.A OD1 no hydrogen 2.910 N/A ARG 141.A NE ASP 139.A OD2 no hydrogen 3.209 N/A ARG 141.A NH2 ASP 139.A OD2 no hydrogen 2.517 N/A GLN 142.A N ASP 139.A O no hydrogen 2.706 N/A GLN 142.A NE2 ASP 145.A O no hydrogen 2.762 N/A ASP 145.A N LYS 143.A O no hydrogen 2.806 N/A VAL 147.A N VAL 137.A O no hydrogen 2.757 N/A ALA 148.A N VAL 137.A O no hydrogen 3.390 N/A ASN 149.A ND2 GLU 151.A OE2 no hydrogen 2.621 N/A MET 150.A N VAL 135.A O no hydrogen 2.694 N/A GLU 156.A N VAL 153.A O no hydrogen 2.855 N/A LYS 158.A NZ GLU 156.A O no hydrogen 2.640 N/A ASP 160.A N ASP 182.A OD1 no hydrogen 3.291 N/A CYS 161.A N SER 130.A O no hydrogen 2.913 N/A CYS 161.A SG THR 163.A O no hydrogen 3.487 N/A CYS 161.A SG GLY 180.A O no hydrogen 3.627 N/A TRP 162.A N GLY 180.A O no hydrogen 2.857 N/A ALA 165.A N CYS 178.A O no hydrogen 2.877 N/A PHE 166.A N ASP 112.A OD2 no hydrogen 2.844 N/A GLY 167.A N VAL 176.A O no hydrogen 2.955 N/A ALA 169.A N LYS 214.A O no hydrogen 3.005 N/A GLU 173.A N ASN 171.A OD1 no hydrogen 2.620 N/A GLU 174.A N ASN 171.A O no hydrogen 3.341 N/A GLU 174.A N ASN 171.A OD1 no hydrogen 2.983 N/A ARG 175.A NH1 ALA 123.A O no hydrogen 2.908 N/A ARG 175.A NH1 GLU 125.A OE1 no hydrogen 2.686 N/A ARG 175.A NH2 ALA 123.A O no hydrogen 2.944 N/A VAL 176.A N GLY 167.A O no hydrogen 2.942 N/A VAL 177.A N PHE 189.A O no hydrogen 2.922 N/A CYS 178.A N ALA 165.A O no hydrogen 2.816 N/A CYS 178.A SG LYS 187.A O no hydrogen 3.800 N/A ALA 179.A N LYS 187.A O no hydrogen 2.770 N/A GLY 180.A N THR 163.A O no hydrogen 2.866 N/A TYR 181.A N ASP 185.A O no hydrogen 2.778 N/A ASP 182.A N ASP 160.A O no hydrogen 2.984 N/A ASN 183.A ND2 ASP 185.A OD1 no hydrogen 3.206 N/A ASN 183.A ND2 ASP 185.A OD2 no hydrogen 3.173 N/A GLY 184.A N TYR 181.A O no hydrogen 3.138 N/A ASP 185.A N ASN 183.A OD1 no hydrogen 3.096 N/A ILE 186.A N THR 200.A O no hydrogen 3.031 N/A LYS 187.A N ALA 179.A O no hydrogen 2.830 N/A LYS 187.A NZ GLU 199.A OE2 no hydrogen 2.400 N/A LEU 188.A N TRP 198.A O no hydrogen 2.709 N/A PHE 189.A N VAL 177.A O no hydrogen 2.743 N/A ASP 190.A N ALA 195.A O no hydrogen 2.798 N/A LEU 191.A N ARG 175.A O no hydrogen 2.912 N/A ARG 192.A N ASP 190.A OD1 no hydrogen 3.114 N/A ALA 195.A N ASP 190.A O no hydrogen 3.092 N/A ARG 197.A N LEU 188.A O no hydrogen 2.923 N/A TRP 198.A N LEU 188.A O no hydrogen 3.429 N/A THR 200.A N ILE 186.A O no hydrogen 2.725 N/A ASN 201.A ND2 ASN 183.A O no hydrogen 2.902 N/A ASN 201.A ND2 ASP 185.A OD1 no hydrogen 2.767 N/A ILE 202.A N GLY 184.A O no hydrogen 2.647 N/A LYS 203.A N ASN 201.A OD1 no hydrogen 2.984 N/A ASN 204.A N ILE 202.A O no hydrogen 2.461 N/A VAL 206.A N TYR 181.A O no hydrogen 2.973 N/A CYS 207.A N THR 224.A O no hydrogen 3.013 N/A CYS 207.A SG GLY 205.A O no hydrogen 3.758 N/A SER 208.A OG.A THR 224.A OG1 no hydrogen 2.789 N/A LEU 209.A N THR 163.A OG1 no hydrogen 2.996 N/A GLU 210.A N VAL 222.A O no hydrogen 3.064 N/A ASP 212.A N LYS 220.A O no hydrogen 3.024 N/A LYS 214.A NZ ASP 112.A OD1 no hydrogen 2.717 N/A LYS 214.A NZ GLY 113.A O no hydrogen 2.714 N/A MET 218.A N ASN 168.A OD1 no hydrogen 2.952 N/A ASN 219.A ND2 ASP 212.A OD2 no hydrogen 2.948 N/A LYS 220.A N ASP 212.A OD1 no hydrogen 3.396 N/A LYS 220.A NZ ASP 212.A OD2 no hydrogen 2.976 N/A LYS 220.A NZ ARG 266.A O no hydrogen 2.696 N/A LEU 221.A N PHE 233.A O no hydrogen 3.043 N/A VAL 222.A N GLU 210.A O no hydrogen 3.003 N/A ALA 223.A N HIS 231.A O no hydrogen 2.865 N/A THR 224.A N SER 208.A O.A no hydrogen 2.883 N/A THR 224.A N SER 208.A O.B no hydrogen 2.956 N/A THR 224.A OG1 SER 208.A OG.A no hydrogen 2.789 N/A THR 224.A OG1 VAL 256.A O no hydrogen 2.889 N/A SER 225.A OG ASN 204.A O no hydrogen 3.226 N/A SER 225.A OG GLY 205.A O no hydrogen 3.002 N/A LYS 229.A N LEU 226.A O no hydrogen 3.402 N/A LYS 229.A NZ SER 248.A OG no hydrogen 3.227 N/A PHE 230.A N GLU 249.A O no hydrogen 2.927 N/A HIS 231.A N ALA 223.A O no hydrogen 2.774 N/A VAL 232.A N VAL 247.A O no hydrogen 2.982 N/A PHE 233.A N LEU 221.A O no hydrogen 2.802 N/A ASP 234.A N ALA 245.A O no hydrogen 2.733 N/A MET 235.A N ASN 219.A O no hydrogen 2.954 N/A MET 235.A SD PHE 233.A O no hydrogen 4.031 N/A ARG 236.A N ASP 234.A OD1 no hydrogen 2.975 N/A ARG 236.A NE SER 217.A O no hydrogen 3.343 N/A ARG 236.A NE MET 218.A O no hydrogen 3.018 N/A ARG 236.A NH2 SER 217.A O no hydrogen 2.858 N/A GLN 238.A NE2 ARG 197.A O no hydrogen 2.874 N/A HIS 239.A N GLY 243.A O no hydrogen 2.876 N/A LYS 242.A N HIS 239.A O no hydrogen 3.241 N/A GLY 243.A N HIS 239.A O no hydrogen 2.821 N/A VAL 247.A N VAL 232.A O no hydrogen 3.076 N/A GLU 249.A N PHE 230.A O no hydrogen 2.815 N/A ALA 251.A N GLY 228.A O no hydrogen 2.585 N/A VAL 256.A N SER 225.A O no hydrogen 2.994 N/A TRP 257.A N ALA 272.A O no hydrogen 2.598 N/A GLN 258.A NE2 VAL 259.A O no hydrogen 2.807 N/A VAL 259.A N SER 208.A OG.A no hydrogen 3.107 N/A VAL 259.A N SER 208.A OG.B no hydrogen 3.162 N/A ARG 260.A N LEU 270.A O no hydrogen 3.024 N/A ARG 260.A NE LEU 319.A O no hydrogen 3.036 N/A ARG 260.A NH1 GLU 210.A OE2 no hydrogen 3.063 N/A HIS 261.A N GLU 210.A OE1 no hydrogen 2.663 N/A HIS 261.A ND1 GLU 210.A OE1 no hydrogen 2.826 N/A LEU 262.A N LEU 268.A O no hydrogen 2.872 N/A GLN 264.A NE2 SER 322.A O no hydrogen 3.227 N/A ASN 265.A N LEU 262.A O no hydrogen 2.893 N/A ARG 266.A NE GLU 267.A OE2 no hydrogen 2.684 N/A GLU 267.A N ASN 265.A OD1 no hydrogen 3.015 N/A LEU 268.A N ASN 265.A O no hydrogen 3.159 N/A PHE 269.A N TRP 281.A O no hydrogen 3.107 N/A LEU 270.A N ARG 260.A O no hydrogen 3.043 N/A THR 271.A N HIS 279.A O no hydrogen 2.729 N/A ALA 272.A N GLN 258.A O no hydrogen 2.946 N/A GLY 273.A N GLY 277.A O no hydrogen 2.819 N/A LEU 278.A N VAL 309.A O no hydrogen 2.847 N/A HIS 279.A N THR 271.A O no hydrogen 2.926 N/A LEU 280.A N GLN 307.A O no hydrogen 2.879 N/A TRP 281.A N PHE 269.A O no hydrogen 2.728 N/A TRP 281.A NE1 THR 271.A OG1 no hydrogen 2.918 N/A LYS 282.A N SER 304.A O no hydrogen 3.210 N/A TYR 283.A N GLU 267.A O no hydrogen 2.920 N/A GLU 284.A N SER 302.A O no hydrogen 2.636 N/A ARG 289.A NE ASP 234.A OD2 no hydrogen 2.685 N/A ARG 289.A NH1 ASN 219.A OD1 no hydrogen 2.550 N/A ARG 289.A NH2 ASN 219.A OD1 no hydrogen 2.264 N/A ARG 289.A NH2 ASP 234.A OD1 no hydrogen 2.987 N/A ARG 289.A NH2 ASP 234.A OD2 no hydrogen 3.098 N/A ASP 291.A N ILE 295.A O no hydrogen 2.781 N/A GLY 294.A N ASP 291.A O no hydrogen 2.746 N/A ILE 295.A N ASP 291.A OD2 no hydrogen 2.757 N/A VAL 299.A N ARG 289.A O no hydrogen 2.601 N/A GLY 301.A N TYR 283.A OH no hydrogen 2.846 N/A SER 302.A N GLU 284.A O no hydrogen 2.911 N/A SER 304.A N LYS 282.A O no hydrogen 3.146 N/A LEU 306.A N LEU 280.A O no hydrogen 2.675 N/A GLN 307.A NE2 PRO 3.A O no hydrogen 2.842 N/A ASN 308.A N GLN 307.A OE1 no hydrogen 3.059 N/A VAL 309.A N LEU 278.A O no hydrogen 3.006 N/A LEU 311.A N GLY 276.A O no hydrogen 2.762 N/A SER 312.A OG GLN 314.A O no hydrogen 3.531 N/A SER 312.A OG SER 333.A OG no hydrogen 2.669 N/A SER 312.A OG ASP 335.A OD1 no hydrogen 2.968 N/A GLN 314.A N SER 312.A OG no hydrogen 3.127 N/A ILE 316.A N GLY 273.A O no hydrogen 3.364 N/A SER 317.A N SER 332.A O no hydrogen 3.181 N/A SER 318.A OG SER 332.A OG no hydrogen 2.510 N/A ASP 320.A N VAL 330.A O no hydrogen 2.797 N/A TRP 321.A NE1 ARG 260.A O no hydrogen 2.917 N/A SER 322.A N LEU 328.A O no hydrogen 2.860 N/A ASP 324.A N SER 322.A OG no hydrogen 3.087 N/A LYS 325.A N SER 322.A OG no hydrogen 2.980 N/A LEU 328.A N LYS 325.A O no hydrogen 3.164 N/A CYS 329.A N LEU 341.A O no hydrogen 2.950 N/A CYS 329.A SG ASP 320.A O no hydrogen 3.457 N/A CYS 329.A SG VAL 330.A O no hydrogen 3.811 N/A VAL 330.A N ASP 320.A O no hydrogen 2.903 N/A CYS 331.A N ARG 339.A O no hydrogen 2.967 N/A SER 332.A N SER 318.A O no hydrogen 2.994 N/A SER 332.A OG SER 318.A OG no hydrogen 2.510 N/A SER 333.A N THR 337.A O no hydrogen 3.175 N/A SER 333.A OG SER 312.A OG no hydrogen 2.669 N/A SER 333.A OG GLN 314.A O no hydrogen 3.552 N/A SER 333.A OG PRO 315.A O no hydrogen 2.701 N/A SER 333.A OG ASP 335.A OD2 no hydrogen 3.336 N/A PHE 334.A N PRO 315.A O no hydrogen 3.163 N/A GLN 336.A N SER 333.A O no hydrogen 3.242 N/A THR 337.A N ASP 335.A OD2 no hydrogen 3.073 N/A THR 337.A OG1 ASP 335.A OD1 no hydrogen 3.309 N/A THR 337.A OG1 ASP 335.A OD2 no hydrogen 3.057 N/A VAL 338.A N LYS 11.A O no hydrogen 2.917 N/A ARG 339.A N CYS 331.A O no hydrogen 2.841 N/A ARG 339.A NH1 ASP 335.A OD1 no hydrogen 3.284 N/A VAL 340.A N ILE 9.A O no hydrogen 2.695 N/A LEU 341.A N CYS 329.A O no hydrogen 2.787 N/A ILE 342.A N ILE 6.A O no hydrogen 2.983 N/A VAL 343.A N GLY 327.A O no hydrogen 2.799 N/A THR 344.A N GLN 4.A O no hydrogen 2.900 N/A THR 344.A OG1 GLN 4.A O no hydrogen 3.215 N/A