Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1f3l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 10.A OH GLU 128.A OE1 no hydrogen 2.782 N/A PHE 11.A N ASP 7.A O no hydrogen 3.321 N/A SER 12.A N GLY 8.A O no hydrogen 3.027 N/A SER 13.A N VAL 9.A O no hydrogen 3.205 N/A SER 13.A N TYR 10.A O no hydrogen 3.127 N/A TYR 14.A OH GLU 128.A OE1 no hydrogen 3.256 N/A TYR 14.A OH GLU 128.A OE2 no hydrogen 3.252 N/A GLY 15.A N SER 12.A O no hydrogen 3.254 N/A HIS 20.A ND1 HIS 16.A O no hydrogen 3.060 N/A GLU 21.A N TYR 17.A O no hydrogen 2.705 N/A GLU 22.A N GLY 18.A O no hydrogen 3.003 N/A MET 23.A N ILE 19.A O no hydrogen 3.278 N/A LEU 24.A N HIS 20.A O no hydrogen 3.006 N/A LYS 25.A N GLU 21.A O no hydrogen 2.968 N/A LYS 25.A NZ GLU 21.A OE1 no hydrogen 2.529 N/A ASP 26.A N MET 23.A O no hydrogen 2.985 N/A ARG 29.A N ASP 26.A OD2 no hydrogen 3.140 N/A ARG 29.A NE MET 23.A O no hydrogen 2.952 N/A ARG 29.A NH1 GLU 119.A OE2 no hydrogen 2.752 N/A ARG 29.A NH2 THR 30.A OG1 no hydrogen 3.426 N/A THR 30.A N ASP 26.A O no hydrogen 2.898 N/A THR 30.A OG1 MET 23.A O no hydrogen 3.071 N/A THR 30.A OG1 ASP 26.A O no hydrogen 3.071 N/A GLU 31.A N LYS 27.A O no hydrogen 2.826 N/A SER 32.A N VAL 28.A O no hydrogen 3.218 N/A SER 32.A OG VAL 28.A O no hydrogen 2.811 N/A TYR 33.A N ARG 29.A O no hydrogen 3.491 N/A TYR 33.A OH SER 118.A O no hydrogen 2.681 N/A ARG 34.A N THR 30.A O no hydrogen 3.120 N/A ARG 34.A NE ASP 35.A OD2 no hydrogen 3.069 N/A ARG 34.A NH2 ASP 35.A OD2 no hydrogen 3.075 N/A ASP 35.A N GLU 31.A O no hydrogen 2.972 N/A PHE 36.A N SER 32.A O no hydrogen 3.053 N/A ILE 37.A N TYR 33.A O no hydrogen 3.059 N/A TYR 38.A N ARG 34.A O no hydrogen 2.866 N/A GLN 39.A N ASP 35.A O no hydrogen 2.783 N/A ASN 40.A N ILE 37.A O no hydrogen 3.310 N/A ASN 40.A ND2 PHE 36.A O no hydrogen 3.126 N/A ASN 40.A ND2 ASN 255.A O no hydrogen 2.743 N/A HIS 42.A NE2 ASN 252.A O no hydrogen 2.689 N/A ILE 43.A N ASN 40.A O no hydrogen 3.128 N/A PHE 44.A N PRO 41.A O no hydrogen 2.948 N/A LYS 45.A N PRO 41.A O no hydrogen 2.850 N/A ASP 46.A N GLY 67.A O no hydrogen 2.774 N/A LYS 47.A N PHE 44.A O no hydrogen 2.927 N/A VAL 48.A N ASP 114.A OD2 no hydrogen 2.982 N/A VAL 49.A N LYS 70.A O no hydrogen 2.941 N/A LEU 50.A N VAL 115.A O no hydrogen 3.067 N/A ASP 51.A N ILE 72.A O no hydrogen 2.959 N/A VAL 52.A N ILE 117.A O no hydrogen 3.242 N/A CYS 54.A N VAL 74.A O no hydrogen 2.890 N/A CYS 54.A SG GLY 55.A O no hydrogen 3.811 N/A GLY 55.A N ASP 75.A OD2 no hydrogen 2.735 N/A GLY 57.A N CYS 54.A O no hydrogen 2.855 N/A SER 60.A OG ASP 51.A OD1 no hydrogen 2.646 N/A MET 61.A N GLY 57.A O no hydrogen 3.154 N/A PHE 62.A N ILE 58.A O no hydrogen 3.137 N/A ALA 63.A N LEU 59.A O no hydrogen 3.140 N/A ALA 64.A N SER 60.A O no hydrogen 2.997 N/A LYS 65.A N MET 61.A O no hydrogen 3.018 N/A ALA 66.A N PHE 62.A O no hydrogen 3.101 N/A ALA 66.A N ALA 63.A O no hydrogen 2.957 N/A GLY 67.A N ALA 64.A O no hydrogen 2.975 N/A ALA 68.A N ALA 63.A O no hydrogen 3.201 N/A LYS 69.A N LYS 47.A O no hydrogen 2.886 N/A LYS 70.A N LYS 47.A O no hydrogen 3.457 N/A VAL 71.A N THR 95.A O no hydrogen 2.979 N/A ILE 72.A N VAL 49.A O no hydrogen 2.859 N/A ALA 73.A N VAL 97.A O no hydrogen 3.060 N/A VAL 74.A N ASP 51.A O no hydrogen 3.252 N/A ASP 75.A N ILE 99.A O no hydrogen 3.335 N/A SER 77.A N ASP 75.A OD1 no hydrogen 3.018 N/A SER 77.A OG TYR 14.A O no hydrogen 3.404 N/A SER 77.A OG ASP 75.A OD1 no hydrogen 2.608 N/A LEU 80.A N SER 77.A O no hydrogen 3.326 N/A TYR 81.A N GLU 78.A O no hydrogen 3.224 N/A GLN 82.A N ILE 79.A O no hydrogen 3.230 N/A ALA 83.A N ILE 79.A O no hydrogen 3.260 N/A ALA 83.A N LEU 80.A O no hydrogen 3.219 N/A MET 84.A N LEU 80.A O no hydrogen 3.043 N/A ASP 85.A N TYR 81.A O no hydrogen 3.354 N/A ILE 86.A N GLN 82.A O no hydrogen 3.069 N/A ILE 87.A N ALA 83.A O no hydrogen 2.929 N/A ARG 88.A N MET 84.A O no hydrogen 3.401 N/A LEU 89.A N ASP 85.A O no hydrogen 2.961 N/A ASN 90.A N ILE 86.A O no hydrogen 3.161 N/A ASN 90.A N ILE 87.A O no hydrogen 3.269 N/A ASN 90.A ND2 ILE 86.A O no hydrogen 2.596 N/A LYS 91.A N ARG 88.A O no hydrogen 2.974 N/A LEU 92.A N ILE 87.A O no hydrogen 3.031 N/A GLU 93.A N GLU 93.A OE1 no hydrogen 2.817 N/A THR 95.A N LEU 92.A O no hydrogen 3.001 N/A THR 95.A OG1 ASP 94.A OD2 no hydrogen 3.230 N/A ILE 96.A N LEU 92.A O no hydrogen 2.931 N/A VAL 97.A N VAL 71.A O no hydrogen 3.084 N/A ILE 99.A N ALA 73.A O no hydrogen 3.080 N/A LYS 100.A NZ GLN 76.A O no hydrogen 2.924 N/A GLY 101.A N ASP 75.A O no hydrogen 2.854 N/A LYS 102.A N GLU 105.A OE1 no hydrogen 3.257 N/A GLU 105.A N LYS 102.A O no hydrogen 2.929 N/A VAL 106.A N LYS 102.A O no hydrogen 3.069 N/A LYS 112.A NZ LYS 140.A O no hydrogen 3.549 N/A VAL 113.A N TYR 141.A O no hydrogen 2.838 N/A ASP 114.A N VAL 48.A O no hydrogen 3.115 N/A VAL 115.A N VAL 48.A O no hydrogen 3.283 N/A ILE 116.A N SER 147.A O no hydrogen 3.002 N/A ILE 117.A N LEU 50.A O no hydrogen 2.978 N/A SER 118.A N TYR 149.A O no hydrogen 3.293 N/A SER 118.A OG VAL 52.A O no hydrogen 2.888 N/A GLY 122.A N LEU 125.A O no hydrogen 3.039 N/A LEU 126.A N PHE 124.A O no hydrogen 2.817 N/A PHE 127.A N TYR 123.A O no hydrogen 3.194 N/A GLU 128.A N ARG 303.A O no hydrogen 2.869 N/A SER 129.A N LEU 126.A O no hydrogen 3.125 N/A SER 129.A OG PRO 302.A O no hydrogen 2.516 N/A SER 133.A OG GLU 104.A OE2 no hydrogen 3.435 N/A VAL 134.A N MET 130.A O no hydrogen 3.216 N/A LEU 135.A N LEU 131.A O no hydrogen 2.916 N/A TYR 136.A N ASP 132.A O no hydrogen 3.019 N/A ALA 137.A N SER 133.A O no hydrogen 3.055 N/A LYS 138.A N VAL 134.A O no hydrogen 2.996 N/A LYS 138.A NZ HIS 215.A O no hydrogen 3.282 N/A SER 139.A N LEU 135.A O no hydrogen 3.058 N/A SER 139.A OG LEU 135.A O no hydrogen 2.670 N/A LYS 140.A N TYR 136.A O no hydrogen 3.137 N/A TYR 141.A N ALA 137.A O no hydrogen 2.843 N/A LEU 142.A N LYS 138.A O no hydrogen 3.046 N/A ALA 143.A N VAL 113.A O no hydrogen 2.807 N/A GLY 146.A N ALA 143.A O no hydrogen 2.825 N/A SER 147.A N ASP 114.A O no hydrogen 3.275 N/A VAL 148.A N HIS 215.A NE2 no hydrogen 3.021 N/A TYR 149.A N ILE 116.A O no hydrogen 2.872 N/A TYR 149.A OH LYS 251.A O no hydrogen 2.680 N/A ASP 151.A N ASP 151.A OD2 no hydrogen 2.538 N/A ILE 152.A N TYR 248.A O no hydrogen 3.340 N/A CYS 153.A N ILE 212.A O no hydrogen 3.144 N/A THR 154.A N ASP 246.A O no hydrogen 3.169 N/A ILE 155.A N LYS 210.A O no hydrogen 3.074 N/A SER 156.A N TYR 244.A O no hydrogen 3.076 N/A SER 156.A OG ASP 208.A OD1 no hydrogen 3.120 N/A LEU 157.A N CYS 207.A O no hydrogen 2.978 N/A VAL 158.A N ALA 242.A O no hydrogen 2.867 N/A ALA 159.A N SER 204.A OG no hydrogen 3.204 N/A VAL 160.A N ALA 240.A O no hydrogen 2.920 N/A SER 161.A N THR 201.A O no hydrogen 3.010 N/A SER 161.A OG MET 237.A O no hydrogen 2.661 N/A ASP 162.A N THR 239.A OG1 no hydrogen 3.031 N/A SER 164.A OG ASP 162.A OD1 no hydrogen 3.046 N/A LYS 165.A N ASP 162.A OD1 no hydrogen 3.072 N/A HIS 166.A N ASP 162.A O no hydrogen 3.204 N/A HIS 166.A NE2 LEU 277.A O no hydrogen 2.827 N/A ALA 167.A N VAL 163.A O no hydrogen 3.018 N/A ASP 168.A N SER 164.A O no hydrogen 2.839 N/A ARG 169.A N LYS 165.A O no hydrogen 3.322 N/A ARG 169.A N HIS 166.A O no hydrogen 3.176 N/A ILE 170.A N HIS 166.A O no hydrogen 2.874 N/A PHE 172.A N ALA 167.A O no hydrogen 2.867 N/A TRP 173.A N ILE 170.A O no hydrogen 3.273 N/A ASP 174.A N ALA 171.A O no hydrogen 2.976 N/A ASP 175.A N PHE 172.A O no hydrogen 3.385 N/A VAL 176.A N PHE 179.A O no hydrogen 2.702 N/A PHE 179.A N VAL 176.A O no hydrogen 2.953 N/A MET 181.A N TRP 173.A O no hydrogen 2.927 N/A SER 182.A N ASN 180.A OD1 no hydrogen 2.853 N/A SER 182.A OG ASP 174.A OD1 no hydrogen 2.740 N/A SER 182.A OG ASN 180.A OD1 no hydrogen 2.724 N/A MET 184.A N MET 181.A O no hydrogen 2.867 N/A LYS 185.A N SER 182.A O no hydrogen 3.317 N/A LYS 185.A NZ ASP 174.A OD1 no hydrogen 2.692 N/A LYS 185.A NZ ASP 174.A OD2 no hydrogen 3.355 N/A ALA 187.A N MET 184.A O no hydrogen 3.124 N/A VAL 188.A N LYS 185.A O no hydrogen 3.063 N/A ILE 189.A N LYS 185.A O no hydrogen 3.406 N/A GLU 191.A N VAL 188.A O no hydrogen 3.184 N/A ALA 192.A N SER 319.A O no hydrogen 3.122 N/A VAL 193.A N ILE 274.A O no hydrogen 3.069 N/A GLU 195.A N GLN 272.A O no hydrogen 2.909 N/A VAL 197.A N GLN 272.A OE1 no hydrogen 2.949 N/A LYS 200.A N ASP 198.A OD1 no hydrogen 3.370 N/A LYS 200.A NZ ASP 198.A OD1 no hydrogen 3.148 N/A LYS 200.A NZ ASP 198.A OD2 no hydrogen 3.542 N/A THR 201.A N ASP 198.A O no hydrogen 2.782 N/A THR 201.A OG1 ASP 198.A O no hydrogen 2.674 N/A LEU 202.A N HIS 199.A O no hydrogen 3.377 N/A ILE 203.A N ALA 159.A O no hydrogen 2.985 N/A SER 204.A OG ASP 205.A O no hydrogen 2.742 N/A ASP 205.A N ARG 231.A O no hydrogen 3.046 N/A CYS 207.A N LEU 157.A O no hydrogen 2.994 N/A CYS 207.A SG ASP 208.A O no hydrogen 3.660 N/A CYS 207.A SG THR 229.A O no hydrogen 3.741 N/A ILE 209.A N ILE 155.A O no hydrogen 2.843 N/A LYS 210.A NZ ASP 221.A O no hydrogen 2.675 N/A ILE 212.A N CYS 153.A O no hydrogen 2.894 N/A ASP 213.A N THR 217.A OG1 no hydrogen 2.924 N/A CYS 214.A N ASP 151.A O no hydrogen 2.897 N/A CYS 214.A SG PRO 150.A O no hydrogen 3.716 N/A HIS 215.A N ASP 213.A OD2 no hydrogen 3.445 N/A THR 216.A N ASP 213.A O no hydrogen 2.978 N/A THR 217.A N ASP 213.A O no hydrogen 2.692 N/A THR 217.A OG1 ASP 213.A O no hydrogen 2.748 N/A ASP 221.A N SER 218.A O no hydrogen 3.233 N/A LEU 222.A N ILE 219.A O no hydrogen 3.223 N/A SER 225.A OG THR 294.A OG1 no hydrogen 2.548 N/A SER 226.A N ILE 293.A O no hydrogen 2.782 N/A SER 226.A OG ILE 209.A O no hydrogen 3.463 N/A PHE 228.A N GLY 291.A O no hydrogen 3.010 N/A LEU 230.A N LEU 289.A O no hydrogen 2.939 N/A ARG 231.A NE GLY 286.A O no hydrogen 3.077 N/A THR 232.A N GLU 287.A O no hydrogen 2.739 N/A THR 232.A OG1 GLU 287.A O no hydrogen 3.342 N/A THR 233.A N ILE 203.A O no hydrogen 2.992 N/A LYS 234.A NZ LEU 202.A O no hydrogen 2.684 N/A ALA 236.A N VAL 283.A O no hydrogen 3.180 N/A CYS 238.A N PHE 281.A O no hydrogen 2.828 N/A CYS 238.A SG VAL 160.A O no hydrogen 3.940 N/A CYS 238.A SG ALA 240.A O no hydrogen 3.928 N/A THR 239.A N VAL 160.A O no hydrogen 2.962 N/A THR 239.A OG1 VAL 160.A O no hydrogen 3.542 N/A ALA 240.A N VAL 160.A O no hydrogen 3.504 N/A VAL 241.A N PHE 275.A O no hydrogen 3.097 N/A ALA 242.A N VAL 158.A O no hydrogen 2.860 N/A GLY 243.A N THR 273.A O no hydrogen 2.818 N/A TYR 244.A N SER 156.A O no hydrogen 3.183 N/A PHE 245.A N THR 261.A OG1 no hydrogen 3.132 N/A ASP 246.A N THR 154.A O no hydrogen 2.985 N/A ILE 247.A N PHE 259.A O no hydrogen 2.890 N/A TYR 248.A N ILE 152.A O no hydrogen 2.715 N/A PHE 249.A N VAL 257.A O no hydrogen 2.809 N/A GLU 250.A N ASP 151.A OD2 no hydrogen 2.912 N/A LYS 251.A N ASP 151.A OD1 no hydrogen 2.814 N/A LYS 251.A NZ GLY 146.A O no hydrogen 3.351 N/A LYS 251.A NZ SER 147.A OG no hydrogen 3.286 N/A CYS 253.A N GLU 250.A O no hydrogen 3.122 N/A CYS 253.A SG LYS 251.A O no hydrogen 3.786 N/A HIS 254.A N ASN 40.A OD1 no hydrogen 2.787 N/A ASN 255.A N ASN 40.A OD1 no hydrogen 3.053 N/A ASN 255.A ND2 GLN 39.A O no hydrogen 2.877 N/A ARG 256.A NH1 GLU 250.A OE2 no hydrogen 2.562 N/A VAL 257.A N PHE 249.A O no hydrogen 3.282 N/A PHE 259.A N ILE 247.A O no hydrogen 3.123 N/A SER 260.A OG ASP 246.A OD1 no hydrogen 2.593 N/A THR 261.A N PHE 245.A O no hydrogen 3.050 N/A THR 261.A OG1 PHE 245.A O no hydrogen 2.830 N/A GLY 262.A N SER 260.A OG no hydrogen 3.302 N/A SER 265.A N GLY 262.A O no hydrogen 3.042 N/A HIS 269.A N ASP 26.A OD1 no hydrogen 2.903 N/A HIS 269.A ND1 ASP 26.A OD1 no hydrogen 2.601 N/A TRP 270.A N THR 268.A OG1 no hydrogen 3.229 N/A TRP 270.A NE1 MET 121.A O no hydrogen 3.128 N/A LYS 271.A N THR 268.A O no hydrogen 3.147 N/A GLN 272.A NE2 THR 261.A O no hydrogen 3.084 N/A THR 273.A N GLY 243.A O no hydrogen 3.005 N/A ILE 274.A N VAL 193.A O no hydrogen 2.626 N/A PHE 275.A N VAL 241.A O no hydrogen 2.980 N/A LEU 277.A N THR 239.A O no hydrogen 2.984 N/A PHE 281.A N CYS 238.A O no hydrogen 3.028 N/A VAL 283.A N ALA 236.A O no hydrogen 2.903 N/A LYS 284.A N GLU 287.A OE1 no hydrogen 2.697 N/A ALA 285.A N THR 235.A OG1 no hydrogen 3.270 N/A GLY 286.A N THR 232.A O no hydrogen 2.955 N/A GLU 287.A N LYS 284.A O no hydrogen 3.020 N/A LEU 289.A N LEU 230.A O no hydrogen 2.771 N/A LYS 290.A NZ THR 229.A OG1 no hydrogen 3.232 N/A GLY 291.A N PHE 228.A O no hydrogen 2.778 N/A LYS 292.A N THR 310.A O no hydrogen 3.054 N/A ILE 293.A N SER 226.A O no hydrogen 2.926 N/A THR 294.A N THR 308.A O no hydrogen 2.922 N/A THR 294.A OG1 SER 225.A OG no hydrogen 2.548 N/A VAL 295.A N PHE 224.A O no hydrogen 2.911 N/A HIS 296.A N ILE 306.A O no hydrogen 2.847 N/A LYS 297.A N GLU 223.A OE2 no hydrogen 2.954 N/A LYS 297.A NZ ASP 132.A OD2 no hydrogen 2.983 N/A ASN 298.A N SER 304.A O no hydrogen 2.926 N/A LYS 300.A N ASN 298.A OD1 no hydrogen 2.811 N/A ASP 301.A N ASN 298.A O no hydrogen 3.127 N/A ASP 301.A N ASN 298.A OD1 no hydrogen 3.335 N/A ARG 303.A NH1 GLU 128.A O no hydrogen 2.608 N/A SER 304.A N ASP 301.A O no hydrogen 2.843 N/A SER 304.A OG ASP 301.A OD2 no hydrogen 3.062 N/A SER 304.A OG GLN 321.A OXT no hydrogen 2.888 N/A ILE 306.A N HIS 296.A O no hydrogen 2.555 N/A VAL 307.A N TYR 318.A O no hydrogen 2.966 N/A THR 308.A N THR 294.A O no hydrogen 2.857 N/A LEU 309.A N GLN 316.A O no hydrogen 2.870 N/A THR 310.A N LYS 292.A O no hydrogen 2.851 N/A THR 310.A OG1 THR 315.A OG1 no hydrogen 2.644 N/A LEU 311.A N SER 314.A O no hydrogen 3.130 N/A SER 314.A N LEU 311.A O no hydrogen 3.129 N/A THR 315.A OG1 THR 310.A OG1 no hydrogen 2.644 N/A GLN 316.A N LEU 309.A O no hydrogen 2.931 N/A TYR 318.A N VAL 307.A O no hydrogen 2.690 N/A TYR 318.A OH LEU 276.A O no hydrogen 2.680 N/A SER 319.A N PRO 190.A O no hydrogen 2.925 N/A LEU 320.A N LEU 305.A O no hydrogen 3.112 N/A