Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ffr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N ASP 63.A OD2 no hydrogen 2.807 N/A ILE 3.A N LYS 24.A O no hydrogen 2.851 N/A CYS 4.A N ALA 64.A O no hydrogen 2.875 N/A LEU 5.A N VAL 26.A O no hydrogen 2.755 N/A VAL 6.A N LEU 66.A O no hydrogen 2.982 N/A GLY 7.A N VAL 28.A O no hydrogen 2.940 N/A GLY 8.A N ASP 29.A OD2 no hydrogen 2.672 N/A LYS 9.A NZ SER 293.A O no hydrogen 3.173 N/A GLN 11.A NE2 PHE 236.A O no hydrogen 2.833 N/A PHE 13.A N LYS 9.A O no hydrogen 2.853 N/A GLU 14.A N LEU 10.A O no hydrogen 3.107 N/A ALA 15.A N GLN 11.A O no hydrogen 3.024 N/A ALA 16.A N GLY 12.A O no hydrogen 2.792 N/A TYR 17.A N PHE 13.A O no hydrogen 2.747 N/A TYR 17.A OH GLU 307.A OE1 no hydrogen 2.609 N/A LEU 18.A N GLU 14.A O no hydrogen 3.057 N/A SER 19.A N ALA 15.A O no hydrogen 2.889 N/A SER 19.A OG ALA 15.A O no hydrogen 2.630 N/A LYS 20.A N ALA 16.A O no hydrogen 2.928 N/A LYS 20.A NZ TYR 39.A O no hydrogen 2.656 N/A LYS 21.A N TYR 17.A O no hydrogen 3.101 N/A LYS 21.A NZ GLU 307.A OE2 no hydrogen 2.622 N/A ALA 22.A N LEU 18.A O no hydrogen 3.008 N/A GLY 23.A N LYS 20.A O no hydrogen 2.904 N/A LYS 24.A N LYS 1.A O no hydrogen 2.884 N/A LYS 24.A NZ GLU 42.A OE2 no hydrogen 2.727 N/A VAL 25.A N ASP 41.A OD2 no hydrogen 2.758 N/A VAL 26.A N ILE 3.A O no hydrogen 2.829 N/A LEU 27.A N GLU 42.A O no hydrogen 2.772 N/A VAL 28.A N LEU 5.A O no hydrogen 2.777 N/A ASP 29.A N TYR 44.A O no hydrogen 3.280 N/A ASN 31.A N ASP 29.A OD1 no hydrogen 2.906 N/A GLN 33.A N ASN 31.A OD1 no hydrogen 2.951 N/A ALA 34.A N ASN 31.A O no hydrogen 3.002 N/A ILE 36.A N GLY 8.A O no hydrogen 3.059 N/A ARG 37.A N ALA 34.A O no hydrogen 3.129 N/A ARG 37.A NH1 ALA 34.A O no hydrogen 3.006 N/A ARG 37.A NH1 SER 295.A O no hydrogen 2.675 N/A ARG 37.A NH2 SER 295.A O no hydrogen 3.440 N/A ASN 38.A ND2 ASP 296.A OD1 no hydrogen 2.975 N/A ASN 38.A ND2 ASP 296.A OD2 no hydrogen 3.491 N/A TYR 39.A N ILE 36.A O no hydrogen 2.926 N/A ALA 40.A N ILE 36.A O no hydrogen 3.104 N/A ASP 41.A N VAL 25.A O no hydrogen 2.878 N/A GLU 42.A N VAL 25.A O no hydrogen 3.176 N/A TYR 44.A N LEU 27.A O no hydrogen 2.844 N/A TYR 44.A OH GLU 42.A OE1 no hydrogen 2.729 N/A CYS 45.A SG ASP 29.A O no hydrogen 3.464 N/A CYS 45.A SG LYS 30.A O no hydrogen 3.493 N/A ILE 49.A N ASP 47.A OD1 no hydrogen 2.885 N/A GLU 51.A N ASP 47.A O no hydrogen 2.859 N/A LYS 54.A N GLU 51.A O no hydrogen 3.181 N/A LEU 56.A N PRO 52.A O no hydrogen 2.932 N/A GLU 57.A N GLU 53.A O no hydrogen 2.881 N/A LEU 58.A N LYS 54.A O no hydrogen 3.064 N/A SER 59.A N LEU 55.A O no hydrogen 2.944 N/A SER 59.A OG LEU 56.A O no hydrogen 2.603 N/A LYS 60.A N GLU 57.A O no hydrogen 3.081 N/A ARG 61.A N LEU 58.A O no hydrogen 2.863 N/A ARG 61.A NH1 GLU 42.A OE1 no hydrogen 3.445 N/A ASP 63.A N THR 2.A O no hydrogen 2.811 N/A VAL 65.A N PRO 88.A O no hydrogen 2.985 N/A LEU 66.A N CYS 4.A O no hydrogen 2.745 N/A VAL 68.A N VAL 6.A O no hydrogen 2.800 N/A ASN 69.A ND2 VAL 6.A O no hydrogen 3.048 N/A ASN 71.A N ASN 69.A OD1 no hydrogen 2.982 N/A ILE 75.A N ASN 71.A O no hydrogen 2.933 N/A GLU 76.A N LEU 72.A O no hydrogen 2.810 N/A PHE 77.A N ALA 73.A O no hydrogen 2.983 N/A LEU 78.A N CYS 74.A O no hydrogen 2.865 N/A ASN 79.A N ILE 75.A O no hydrogen 3.023 N/A SER 80.A N GLU 76.A O no hydrogen 3.228 N/A SER 80.A OG PHE 77.A O no hydrogen 2.574 N/A ILE 81.A N LEU 78.A O no hydrogen 3.133 N/A LYS 82.A NZ ASN 79.A O no hydrogen 3.557 N/A LYS 82.A NZ ASN 79.A OD1 no hydrogen 2.946 N/A LYS 82.A NZ GLU 83.A OE2 no hydrogen 2.932 N/A LYS 84.A N ILE 81.A O no hydrogen 2.959 N/A PHE 85.A N LYS 82.A O no hydrogen 3.346 N/A SER 86.A N SER 59.A OG no hydrogen 2.926 N/A CYS 87.A SG SER 59.A O no hydrogen 3.644 N/A CYS 87.A SG PRO 88.A O no hydrogen 3.748 N/A LEU 90.A N VAL 65.A O no hydrogen 2.841 N/A PHE 91.A N VAL 89.A O no hydrogen 2.840 N/A ALA 95.A N ASP 92.A OD1 no hydrogen 3.040 N/A TYR 96.A N ASP 92.A O no hydrogen 3.113 N/A TYR 96.A OH GLU 70.A OE1 no hydrogen 2.599 N/A ARG 97.A N PHE 93.A O no hydrogen 3.081 N/A ILE 98.A N GLU 94.A O no hydrogen 3.409 N/A SER 99.A N ALA 95.A O no hydrogen 2.869 N/A SER 99.A OG ALA 95.A O no hydrogen 3.355 N/A SER 99.A OG TYR 96.A O no hydrogen 3.506 N/A ARG 100.A N TYR 96.A O no hydrogen 2.997 N/A ARG 100.A NE ARG 97.A O no hydrogen 3.357 N/A ARG 100.A NH2 ARG 97.A O no hydrogen 2.751 N/A ASP 101.A N ILE 98.A O no hydrogen 3.300 N/A LYS 102.A N PRO 131.A O no hydrogen 2.836 N/A LYS 102.A NZ GLU 231.A OE1 no hydrogen 3.514 N/A LYS 103.A N ASP 101.A OD1 no hydrogen 2.968 N/A LYS 103.A NZ ASP 150.A OD2 no hydrogen 3.146 N/A LYS 104.A N ASP 101.A OD1 no hydrogen 3.147 N/A SER 105.A N ASP 101.A O no hydrogen 2.881 N/A SER 105.A OG ILE 98.A O no hydrogen 2.796 N/A SER 105.A OG ASP 101.A O no hydrogen 3.277 N/A LYS 106.A N LYS 102.A O no hydrogen 2.982 N/A LYS 106.A NZ PRO 117.A O no hydrogen 2.723 N/A LYS 106.A NZ ASP 119.A OD1 no hydrogen 2.773 N/A LYS 106.A NZ GLU 154.A OE2 no hydrogen 2.676 N/A ASP 107.A N LYS 103.A O no hydrogen 3.034 N/A TYR 108.A N LYS 104.A O no hydrogen 2.884 N/A TYR 108.A OH LEU 207.A O no hydrogen 2.630 N/A PHE 109.A N SER 105.A O no hydrogen 2.876 N/A LYS 110.A N LYS 106.A O no hydrogen 3.019 N/A LYS 110.A NZ ASP 119.A OD2 no hydrogen 3.420 N/A SER 111.A N ASP 107.A O no hydrogen 2.966 N/A SER 111.A OG TYR 108.A O no hydrogen 2.668 N/A ILE 112.A N TYR 108.A O no hydrogen 3.377 N/A ILE 112.A N PHE 109.A O no hydrogen 3.263 N/A GLY 113.A N LYS 110.A O no hydrogen 3.171 N/A VAL 114.A N PHE 109.A O no hydrogen 2.869 N/A THR 116.A OG1 VAL 229.A O no hydrogen 2.701 N/A GLN 118.A N GLU 155.A OE2 no hydrogen 2.721 N/A ARG 120.A N VAL 153.A O no hydrogen 2.880 N/A LYS 123.A NZ PRO 124.A O no hydrogen 3.520 N/A TYR 126.A N ILE 142.A O no hydrogen 2.841 N/A TYR 126.A OH ASP 145.A OD2 no hydrogen 3.289 N/A PHE 127.A N GLU 154.A O no hydrogen 2.828 N/A VAL 128.A N ARG 140.A O no hydrogen 2.935 N/A LYS 129.A N LEU 152.A O no hydrogen 3.139 N/A LYS 129.A NZ GLU 154.A OE1 no hydrogen 3.309 N/A CYS 132.A SG ARG 100.A O no hydrogen 3.622 N/A SER 136.A OG TYR 187.A O no hydrogen 2.551 N/A VAL 137.A N SER 134.A O no hydrogen 3.071 N/A ALA 139.A N SER 136.A O no hydrogen 3.047 N/A ARG 140.A N VAL 128.A O no hydrogen 2.916 N/A ARG 140.A NH2 GLY 138.A O no hydrogen 2.751 N/A ILE 142.A N TYR 126.A O no hydrogen 2.831 N/A LYS 146.A N ASP 144.A O no hydrogen 2.656 N/A LYS 146.A NZ ASP 144.A OD1 no hydrogen 2.722 N/A LEU 152.A N LYS 129.A O no hydrogen 2.803 N/A GLU 154.A N PHE 127.A O no hydrogen 2.812 N/A GLU 155.A N GLN 118.A O no hydrogen 3.088 N/A TYR 156.A OH TYR 187.A OH no hydrogen 2.856 N/A VAL 162.A N ALA 220.A O no hydrogen 2.794 N/A SER 163.A N THR 179.A O no hydrogen 2.847 N/A SER 163.A OG GLU 165.A OE2 no hydrogen 3.437 N/A LEU 164.A N VAL 218.A O no hydrogen 2.878 N/A VAL 167.A N ALA 174.A O no hydrogen 2.957 N/A GLY 168.A N GLY 215.A O no hydrogen 2.879 N/A ASP 169.A N HIS 172.A O no hydrogen 3.038 N/A GLY 170.A N LEU 213.A O no hydrogen 2.961 N/A SER 171.A N ASP 169.A OD1 no hydrogen 2.791 N/A HIS 172.A N ASP 169.A OD1 no hydrogen 2.684 N/A HIS 172.A ND1 ASP 169.A OD2 no hydrogen 2.864 N/A PHE 173.A N GLU 266.A OE1 no hydrogen 3.146 N/A ALA 174.A N VAL 167.A O no hydrogen 2.836 N/A VAL 176.A N GLU 165.A O no hydrogen 2.972 N/A LYS 177.A NZ LEU 194.A O no hydrogen 2.975 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.728 N/A THR 179.A N SER 163.A O no hydrogen 2.931 N/A LEU 180.A N THR 192.A O no hydrogen 2.658 N/A VAL 181.A N VAL 161.A O no hydrogen 2.846 N/A ASP 184.A N ASP 188.A O no hydrogen 2.910 N/A GLU 185.A N GLU 185.A OE1 no hydrogen 2.774 N/A THR 186.A N ASP 184.A OD1 no hydrogen 2.841 N/A THR 186.A OG1 ASP 184.A OD1 no hydrogen 2.705 N/A TYR 187.A N ASP 184.A O no hydrogen 2.922 N/A TYR 187.A OH TYR 156.A OH no hydrogen 2.856 N/A ASP 188.A N ASP 184.A OD1 no hydrogen 3.162 N/A CYS 189.A N ASP 188.A OD1 no hydrogen 2.759 N/A CYS 189.A SG HIS 182.A O no hydrogen 3.826 N/A CYS 189.A SG GLN 239.A OE1 no hydrogen 3.336 N/A HIS 190.A N HIS 182.A O no hydrogen 3.034 N/A VAL 191.A N TYR 274.A O no hydrogen 2.786 N/A THR 192.A N LEU 180.A O no hydrogen 3.241 N/A LEU 194.A N GLU 178.A O no hydrogen 2.941 N/A ASN 197.A N GLU 178.A OE2 no hydrogen 2.843 N/A PHE 200.A N ASN 197.A OD1 no hydrogen 3.040 N/A ARG 201.A N ASN 197.A O no hydrogen 2.970 N/A ARG 201.A NH1 VAL 176.A O no hydrogen 2.952 N/A ARG 201.A NH1 GLU 178.A OE2 no hydrogen 3.265 N/A ARG 201.A NH2 VAL 176.A O no hydrogen 3.149 N/A GLN 202.A N PRO 198.A O no hydrogen 2.978 N/A ILE 203.A N LEU 199.A O no hydrogen 2.889 N/A SER 204.A N PHE 200.A O no hydrogen 2.840 N/A SER 204.A OG PHE 200.A O no hydrogen 2.941 N/A HIS 205.A N ARG 201.A O no hydrogen 2.843 N/A HIS 205.A NE2 GLU 266.A OE1 no hydrogen 3.169 N/A ASP 206.A N GLN 202.A O no hydrogen 2.918 N/A LEU 207.A N ILE 203.A O no hydrogen 2.943 N/A ALA 208.A N SER 204.A O no hydrogen 3.141 N/A ALA 209.A N HIS 205.A O no hydrogen 2.828 N/A ASN 210.A N ASP 206.A O no hydrogen 3.143 N/A LEU 211.A N ALA 208.A O no hydrogen 3.322 N/A LEU 213.A N ALA 208.A O no hydrogen 2.822 N/A LYS 214.A N ASP 92.A OD2 no hydrogen 2.834 N/A GLY 215.A N GLY 168.A O no hydrogen 2.876 N/A ASP 217.A N ASP 233.A O no hydrogen 3.022 N/A VAL 218.A N LEU 164.A O no hydrogen 2.668 N/A GLU 219.A N GLU 231.A O no hydrogen 2.944 N/A ALA 220.A N VAL 162.A O no hydrogen 2.938 N/A ILE 221.A N ARG 228.A O no hydrogen 2.845 N/A PHE 222.A N GLU 160.A O no hydrogen 2.907 N/A GLY 223.A N GLY 226.A O no hydrogen 3.111 N/A GLY 226.A N GLY 223.A O no hydrogen 3.071 N/A ARG 228.A N ILE 221.A O no hydrogen 2.916 N/A ARG 228.A NH1 LYS 225.A O no hydrogen 3.425 N/A ARG 228.A NH1 LEU 227.A O no hydrogen 2.914 N/A ARG 228.A NH2 LYS 225.A O no hydrogen 2.913 N/A VAL 229.A N PRO 115.A O no hydrogen 2.886 N/A ILE 230.A N GLU 219.A O no hydrogen 2.877 N/A GLU 231.A N GLU 219.A O no hydrogen 3.460 N/A ASP 233.A N ASP 217.A O no hydrogen 3.072 N/A ALA 234.A N SER 99.A OG no hydrogen 2.902 N/A ARG 235.A NE GLU 70.A OE2 no hydrogen 2.906 N/A ARG 235.A NH2 GLU 70.A OE2 no hydrogen 3.010 N/A SER 238.A OG GLU 289.A OE1 no hydrogen 3.193 N/A SER 238.A OG GLU 289.A OE2 no hydrogen 2.379 N/A GLN 239.A N GLU 14.A OE1 no hydrogen 2.842 N/A GLN 239.A NE2 CYS 189.A O no hydrogen 3.034 N/A GLN 239.A NE2 HIS 276.A NE2 no hydrogen 2.886 N/A THR 240.A N SER 238.A O no hydrogen 2.852 N/A THR 240.A OG1 GLU 165.A OE2 no hydrogen 2.616 N/A THR 242.A N GLN 239.A O no hydrogen 3.261 N/A THR 242.A OG1 GLU 14.A OE2 no hydrogen 2.523 N/A VAL 244.A N THR 240.A O no hydrogen 2.855 N/A TYR 245.A N PRO 241.A O no hydrogen 2.918 N/A TYR 246.A N THR 242.A O no hydrogen 3.173 N/A TYR 246.A OH TYR 17.A OH no hydrogen 3.329 N/A TYR 246.A OH GLU 307.A OE1 no hydrogen 2.600 N/A SER 247.A N VAL 243.A O no hydrogen 2.886 N/A SER 247.A OG VAL 243.A O no hydrogen 2.709 N/A SER 248.A N VAL 244.A O no hydrogen 2.922 N/A SER 248.A OG VAL 244.A O no hydrogen 2.619 N/A GLY 249.A N TYR 245.A O no hydrogen 2.932 N/A ILE 250.A N SER 248.A OG no hydrogen 3.223 N/A ASN 251.A ND2 LEU 18.A O no hydrogen 2.923 N/A ILE 253.A N ASN 251.A OD1 no hydrogen 2.933 N/A GLU 254.A N ASN 251.A OD1 no hydrogen 3.216 N/A LEU 255.A N ASN 251.A O no hydrogen 2.960 N/A LEU 256.A N LEU 252.A O no hydrogen 2.916 N/A PHE 257.A N ILE 253.A O no hydrogen 2.948 N/A ARG 258.A N GLU 254.A O no hydrogen 2.958 N/A ALA 259.A N LEU 255.A O no hydrogen 3.053 N/A PHE 260.A N PHE 257.A O no hydrogen 3.212 N/A THR 261.A N ARG 258.A O no hydrogen 3.097 N/A THR 261.A OG1 PHE 257.A O no hydrogen 2.896 N/A THR 261.A OG1 ARG 258.A O no hydrogen 3.364 N/A GLY 263.A N ARG 258.A O no hydrogen 2.604 N/A VAL 264.A N ASP 169.A OD2 no hydrogen 2.818 N/A LYS 270.A N SER 247.A O no hydrogen 3.077 N/A TYR 271.A N GLY 323.A O no hydrogen 2.941 N/A CYS 272.A SG PHE 321.A O no hydrogen 3.345 N/A ILE 273.A N PHE 321.A O no hydrogen 2.841 N/A TYR 274.A N VAL 191.A O no hydrogen 3.091 N/A HIS 276.A N HIS 190.A O no hydrogen 2.978 N/A HIS 276.A ND1 THR 319.A OG1 no hydrogen 2.766 N/A LEU 277.A N PHE 318.A O no hydrogen 2.854 N/A GLY 279.A N VAL 283.A O no hydrogen 2.790 N/A GLY 282.A N GLY 279.A O no hydrogen 3.124 N/A VAL 283.A N GLU 280.A O no hydrogen 3.520 N/A VAL 287.A N HIS 276.A O no hydrogen 3.378 N/A GLU 289.A N ASP 188.A OD1 no hydrogen 3.154 N/A GLN 290.A N ASP 188.A OD2 no hydrogen 2.827 N/A GLN 290.A NE2 SER 135.A O no hydrogen 2.757 N/A VAL 291.A N GLY 288.A O no hydrogen 3.180 N/A LEU 292.A N GLY 288.A O no hydrogen 3.397 N/A SER 293.A N GLU 289.A O no hydrogen 2.855 N/A SER 293.A OG GLU 289.A O no hydrogen 3.362 N/A SER 293.A OG GLN 290.A O no hydrogen 2.988 N/A SER 295.A N LYS 312.A O no hydrogen 2.679 N/A TYR 297.A N LEU 35.A O no hydrogen 3.060 N/A TYR 297.A OH THR 319.A OG1 no hydrogen 2.649 N/A GLY 298.A N LEU 310.A O no hydrogen 3.227 N/A LYS 299.A NZ GLU 302.A OE1 no hydrogen 2.924 N/A PHE 300.A N ILE 308.A O no hydrogen 2.715 N/A TYR 301.A N ILE 308.A O no hydrogen 3.048 N/A TYR 301.A OH GLU 303.A OE2 no hydrogen 2.522 N/A GLU 303.A N ILE 306.A O no hydrogen 3.028 N/A ILE 306.A N GLU 303.A O no hydrogen 3.022 N/A GLU 307.A N VAL 320.A O no hydrogen 2.850 N/A ILE 308.A N TYR 301.A O no hydrogen 2.808 N/A PHE 309.A N THR 319.A O no hydrogen 2.786 N/A LEU 310.A N GLY 298.A O no hydrogen 2.887 N/A CYS 311.A N VAL 317.A O no hydrogen 2.682 N/A CYS 311.A SG LEU 292.A O no hydrogen 3.330 N/A CYS 311.A SG LYS 312.A O no hydrogen 4.004 N/A LYS 312.A N ASP 296.A O no hydrogen 2.768 N/A VAL 317.A N CYS 311.A O no hydrogen 2.880 N/A PHE 318.A N LEU 277.A O no hydrogen 2.757 N/A THR 319.A N PHE 309.A O no hydrogen 2.784 N/A THR 319.A OG1 HIS 276.A ND1 no hydrogen 2.766 N/A THR 319.A OG1 TYR 297.A OH no hydrogen 2.649 N/A PHE 321.A N ILE 273.A O no hydrogen 2.774 N/A TRP 322.A N GLY 305.A O no hydrogen 3.034 N/A GLY 323.A N TYR 271.A O no hydrogen 3.220 N/A LYS 324.A N GLU 328.A OE1 no hydrogen 2.710 N/A GLU 328.A N ASP 325.A OD1 no hydrogen 3.016 N/A THR 329.A N ASP 325.A O no hydrogen 3.094 N/A THR 329.A OG1 TYR 271.A O no hydrogen 3.434 N/A THR 329.A OG1 ASP 325.A O no hydrogen 2.850 N/A GLY 330.A N ARG 326.A O no hydrogen 2.875 N/A ALA 331.A N GLU 327.A O no hydrogen 3.040 N/A LYS 332.A N GLU 328.A O no hydrogen 2.936 N/A LYS 332.A NZ PRO 304.A O no hydrogen 3.503 N/A ARG 333.A N THR 329.A O no hydrogen 2.865 N/A ARG 333.A NH1 GLU 275.A OE2 no hydrogen 2.673 N/A CYS 334.A N GLY 330.A O no hydrogen 3.076 N/A CYS 334.A SG GLY 330.A O no hydrogen 3.477 N/A LYS 335.A N ALA 331.A O no hydrogen 3.103 N/A LYS 335.A NZ GLU 303.A OE1 no hydrogen 3.286 N/A LYS 335.A NZ GLU 303.A OE2 no hydrogen 2.744 N/A GLY 336.A N LYS 332.A O no hydrogen 2.863 N/A LEU 337.A N ARG 333.A O no hydrogen 2.884 N/A SER 338.A N CYS 334.A O no hydrogen 2.913 N/A SER 338.A OG CYS 334.A O no hydrogen 3.509 N/A SER 338.A OG LYS 335.A O no hydrogen 2.654 N/A VAL 339.A N LYS 335.A O no hydrogen 3.092 N/A LEU 340.A N GLY 336.A O no hydrogen 3.479 N/A