Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ly1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1.B ALA 4.A O no hydrogen 3.416 N/A SER 6.A N ASN 9.A O no hydrogen 3.307 N/A ASN 9.A N SER 6.A O no hydrogen 3.154 N/A ILE 11.A N GLY 295.A O no hydrogen 2.753 N/A ILE 13.A N LEU 297.A O no hydrogen 2.903 N/A ASN 16.A N SER 312.A OG no hydrogen 3.019 N/A ASN 16.A ND2 SER 312.A OG no hydrogen 2.744 N/A ASN 18.A ND2 LYS 199.A O no hydrogen 3.005 N/A ASN 18.A ND2 SER 247.A OG no hydrogen 2.783 N/A LEU 20.A N.A ASN 18.A OD1 no hydrogen 3.008 N/A LEU 20.A N.B ASN 18.A OD1 no hydrogen 3.028 N/A SER 22.A OG ASP 240.A OD2 no hydrogen 2.455 N/A ALA 25.A N SER 22.A OG no hydrogen 3.368 N/A GLN 26.A N SER 22.A O no hydrogen 2.819 N/A ALA 27.A N PRO 23.A O no hydrogen 3.034 N/A ALA 28.A N LYS 24.A O no hydrogen 3.036 N/A ALA 29.A N ALA 25.A O no hydrogen 2.909 N/A ARG 30.A N GLN 26.A O no hydrogen 2.871 N/A ASP 31.A N ALA 27.A O no hydrogen 2.973 N/A ALA 32.A N ALA 28.A O no hydrogen 3.037 N/A VAL 33.A N ARG 30.A O no hydrogen 3.205 N/A LYS 35.A N ALA 32.A O no hydrogen 2.912 N/A LYS 35.A NZ ASP 233.A OD2 no hydrogen 2.765 N/A ALA 36.A N VAL 33.A O no hydrogen 3.126 N/A ARG 38.A N LYS 35.A O no hydrogen 3.120 N/A GLU 43.A N GLU 43.A OE1 no hydrogen 2.904 N/A ILE 44.A N ALA 40.A O no hydrogen 2.934 N/A LEU 45.A N LYS 41.A O no hydrogen 3.255 N/A GLY 47.A N ILE 44.A O no hydrogen 3.012 N/A ASN 48.A N LEU 45.A O no hydrogen 3.021 N/A LYS 49.A NZ ASN 239.A OD1 no hydrogen 2.835 N/A LEU 50.A N LEU 46.A O no hydrogen 2.951 N/A ALA 51.A N GLY 47.A O no hydrogen 2.987 N/A ALA 52.A N ASN 48.A O no hydrogen 3.021 N/A HIS 53.A N LYS 49.A O no hydrogen 3.028 N/A HIS 54.A N LEU 50.A O no hydrogen 2.994 N/A HIS 54.A ND1 SER 182.A OG no hydrogen 2.865 N/A HIS 54.A NE2 TYR 208.A OH no hydrogen 2.741 N/A GLN 55.A N ALA 52.A O no hydrogen 3.140 N/A VAL 56.A N ALA 51.A O no hydrogen 2.943 N/A SER 60.A N GLU 57.A O no hydrogen 3.058 N/A SER 60.A OG ALA 211.A O no hydrogen 2.683 N/A ILE 61.A N ALA 58.A O no hydrogen 3.031 N/A LEU 62.A N ALA 209.A O no hydrogen 3.062 N/A LEU 63.A N GLU 225.A OE2 no hydrogen 2.776 N/A THR 64.A N GLY 207.A O no hydrogen 2.876 N/A THR 64.A OG1 GLY 66.A O no hydrogen 2.727 N/A ILE 71.A N SER 67.A O no hydrogen 2.916 N/A ARG 72.A N SER 68.A O no hydrogen 3.238 N/A ARG 72.A NE GLU 69.A OE1 no hydrogen 2.631 N/A ARG 72.A NH1 GLU 76.A OE2 no hydrogen 2.974 N/A ARG 72.A NH1 TYR 221.A O no hydrogen 2.843 N/A ARG 72.A NH2 GLU 69.A OE1 no hydrogen 2.824 N/A ARG 72.A NH2 TYR 221.A O no hydrogen 2.876 N/A ALA 73.A N GLU 69.A O no hydrogen 2.928 N/A ALA 74.A N GLY 70.A O no hydrogen 2.873 N/A ILE 75.A N ILE 71.A O no hydrogen 2.988 N/A GLU 76.A N ARG 72.A O no hydrogen 2.848 N/A ALA 77.A N ALA 73.A O no hydrogen 2.883 N/A TYR 78.A N ILE 75.A O no hydrogen 3.232 N/A SER 80.A OG GLU 82.A OE2.B no hydrogen 2.860 N/A ALA 83.A N SER 80.A O no hydrogen 3.161 N/A GLN 84.A N PRO 130.A O no hydrogen 3.017 N/A LEU 85.A N LYS 104.A O no hydrogen 2.857 N/A VAL 86.A N ILE 132.A O no hydrogen 2.782 N/A ILE 87.A N THR 106.A O no hydrogen 3.075 N/A GLU 89.A N VAL 108.A O no hydrogen 2.942 N/A THR 91.A OG1 ASN 139.A OD1 no hydrogen 2.674 N/A TYR 92.A N THR 91.A OG1 no hydrogen 2.854 N/A HIS 97.A N GLY 93.A O no hydrogen 3.043 N/A PHE 98.A N ASP 94.A O no hydrogen 3.125 N/A ALA 99.A N GLY 95.A O no hydrogen 2.877 N/A LYS 100.A N GLU 96.A O no hydrogen 2.803 N/A ILE 101.A N HIS 97.A O no hydrogen 3.212 N/A ALA 102.A N PHE 98.A O no hydrogen 3.051 N/A GLY 103.A N LYS 100.A O no hydrogen 2.948 N/A LYS 104.A N ALA 83.A O no hydrogen 3.348 N/A THR 106.A N LEU 85.A O no hydrogen 2.766 N/A LYS 107.A NZ GLU 96.A OE1 no hydrogen 2.951 N/A LYS 107.A NZ GLU 96.A OE2 no hydrogen 2.936 N/A VAL 108.A N ILE 87.A O no hydrogen 2.857 N/A LEU 110.A N ALA 114.A O no hydrogen 2.960 N/A TRP 113.A N LEU 110.A O no hydrogen 2.820 N/A GLY 119.A N ASP 116.A OD1 no hydrogen 2.909 N/A LEU 120.A N ASP 116.A O no hydrogen 2.966 N/A LYS 121.A N ILE 117.A O no hydrogen 2.858 N/A LYS 121.A NZ GLU 118.A OE2 no hydrogen 3.176 N/A ALA 122.A N GLU 118.A O no hydrogen 2.963 N/A ALA 123.A N GLY 119.A O no hydrogen 2.997 N/A VAL 124.A N LEU 120.A O no hydrogen 3.189 N/A ALA 125.A N LYS 121.A O no hydrogen 2.957 N/A ALA 126.A N ALA 122.A O no hydrogen 2.897 N/A TYR 127.A N VAL 124.A O no hydrogen 3.149 N/A TYR 127.A OH GLU 82.A O no hydrogen 2.512 N/A SER 131.A N ASN 161.A O no hydrogen 2.931 N/A SER 131.A OG GLN 84.A OE1 no hydrogen 2.972 N/A ILE 132.A N GLN 84.A O no hydrogen 2.878 N/A TYR 134.A N VAL 86.A O no hydrogen 3.209 N/A TYR 134.A OH ASP 166.A OD2 no hydrogen 2.593 N/A LEU 135.A N ILE 164.A O no hydrogen 2.875 N/A ASN 137.A N ASP 166.A O no hydrogen 3.010 N/A ASN 137.A ND2 THR 146.A O no hydrogen 3.540 N/A ASN 139.A N THR 144.A O no hydrogen 2.830 N/A ASN 139.A ND2 LEU 90.A O no hydrogen 2.858 N/A ASN 139.A ND2 THR 142.A OG1 no hydrogen 3.188 N/A THR 142.A OG1 THR 144.A OG1 no hydrogen 3.094 N/A GLY 143.A N ASN 139.A O no hydrogen 2.867 N/A THR 144.A OG1 THR 142.A OG1 no hydrogen 3.094 N/A THR 146.A N ASN 137.A OD1 no hydrogen 2.875 N/A ALA 148.A N ARG 177.A O no hydrogen 2.779 N/A VAL 150.A N PRO 147.A O no hydrogen 3.077 N/A ILE 151.A N PRO 147.A O no hydrogen 3.415 N/A GLU 152.A N ALA 148.A O no hydrogen 2.862 N/A ILE 155.A N ILE 151.A O no hydrogen 3.104 N/A ALA 156.A N GLU 152.A O no hydrogen 2.820 N/A SER 157.A N PRO 153.A O no hydrogen 3.101 N/A SER 157.A N TRP 154.A O no hydrogen 3.206 N/A SER 157.A OG TRP 154.A O no hydrogen 2.690 N/A LYS 158.A N ILE 155.A O no hydrogen 3.044 N/A THR 162.A OG1 PRO 159.A O no hydrogen 3.539 N/A THR 162.A OG1 ALA 160.A O no hydrogen 2.867 N/A ILE 164.A N VAL 133.A O no hydrogen 2.802 N/A VAL 165.A N ILE 192.A O no hydrogen 2.708 N/A ASP 166.A N LEU 135.A O no hydrogen 2.873 N/A GLU 167.A N LEU 194.A O no hydrogen 2.976 N/A ALA 168.A N ASP 166.A OD1 no hydrogen 3.147 N/A ALA 170.A N GLU 167.A O no hydrogen 3.119 N/A GLU 171.A N GLU 171.A OE1 no hydrogen 2.787 N/A PHE 172.A N TYR 169.A O no hydrogen 3.242 N/A VAL 173.A N ALA 170.A O no hydrogen 3.113 N/A ASN 174.A N GLU 273.A OE1 no hydrogen 2.699 N/A ASN 174.A ND2 ASP 252.A OD1 no hydrogen 3.055 N/A ASP 175.A N GLU 273.A OE1 no hydrogen 3.046 N/A ARG 177.A N ASP 175.A OD1 no hydrogen 2.956 N/A ARG 177.A NE ASP 175.A OD1 no hydrogen 3.080 N/A ARG 177.A NE ASP 175.A OD2 no hydrogen 3.317 N/A ARG 177.A NH2 ASP 175.A OD2 no hydrogen 2.648 N/A PHE 178.A N ASP 175.A O no hydrogen 3.155 N/A ARG 179.A NE.A GLU 152.A OE2 no hydrogen 3.263 N/A ARG 179.A NE.B GLU 152.A OE2 no hydrogen 2.849 N/A ARG 179.A NH1.B GLU 152.A OE1 no hydrogen 2.795 N/A ARG 179.A NH1.B GLU 152.A OE2 no hydrogen 3.424 N/A ARG 179.A NH2.A GLU 152.A OE1 no hydrogen 2.901 N/A SER 180.A OG GLU 167.A OE1 no hydrogen 2.724 N/A ILE 181.A N GLU 167.A OE2 no hydrogen 2.951 N/A SER 182.A N SER 180.A OG no hydrogen 3.148 N/A SER 182.A OG HIS 54.A ND1 no hydrogen 2.865 N/A THR 185.A N SER 182.A O no hydrogen 3.167 N/A THR 185.A OG1 HIS 54.A O no hydrogen 2.844 N/A THR 185.A OG1 GLN 55.A O no hydrogen 3.336 N/A THR 185.A OG1 SER 182.A O no hydrogen 3.517 N/A GLN 186.A N PRO 183.A O no hydrogen 2.933 N/A GLY 187.A N ILE 184.A O no hydrogen 2.899 N/A ASN 190.A ND2 ILE 155.A O no hydrogen 3.088 N/A ILE 192.A N PHE 163.A O no hydrogen 2.797 N/A LEU 193.A N VAL 210.A O no hydrogen 3.000 N/A LEU 194.A N VAL 165.A O no hydrogen 2.902 N/A LYS 195.A N TYR 208.A O no hydrogen 2.963 N/A LYS 195.A NZ.A GLU 171.A OE1 no hydrogen 3.341 N/A LYS 195.A NZ.A GLU 171.A OE2 no hydrogen 2.657 N/A LYS 195.A NZ.B GLU 167.A O no hydrogen 2.839 N/A LYS 195.A NZ.B GLU 171.A OE1 no hydrogen 3.010 N/A LYS 195.A NZ.B GLU 171.A OE2 no hydrogen 2.974 N/A THR 196.A OG1 SER 198.A OG no hydrogen 3.073 N/A PHE 197.A N VAL 206.A O no hydrogen 2.940 N/A SER 198.A N THR 196.A OG1 no hydrogen 3.104 N/A SER 198.A OG THR 196.A OG1 no hydrogen 3.073 N/A LYS 199.A NZ ASN 16.A O no hydrogen 3.488 N/A LYS 199.A NZ TYR 169.A OH no hydrogen 3.531 N/A HIS 201.A ND1 SER 238.A OG no hydrogen 2.616 N/A ALA 202.A N LYS 199.A O no hydrogen 2.817 N/A ARG 205.A NH1 ALA 203.A O no hydrogen 3.047 N/A GLY 207.A N THR 64.A O no hydrogen 2.834 N/A TYR 208.A N LYS 195.A O no hydrogen 2.956 N/A TYR 208.A OH HIS 54.A NE2 no hydrogen 2.741 N/A ALA 209.A N LEU 62.A O no hydrogen 2.834 N/A VAL 210.A N LEU 193.A O no hydrogen 2.844 N/A ALA 211.A N SER 60.A O no hydrogen 3.084 N/A HIS 212.A ND1 THR 214.A OG1 no hydrogen 2.825 N/A THR 214.A N HIS 212.A ND1 no hydrogen 3.244 N/A THR 214.A OG1 HIS 212.A ND1 no hydrogen 2.825 N/A VAL 215.A N HIS 212.A O no hydrogen 3.023 N/A ILE 216.A N HIS 212.A O no hydrogen 3.081 N/A ALA 217.A N PRO 213.A O no hydrogen 2.952 N/A LEU 218.A N THR 214.A O no hydrogen 3.262 N/A ARG 220.A N LEU 218.A O no hydrogen 3.190 N/A SER 230.A OG ALA 29.A O no hydrogen 2.883 N/A GLY 231.A N ASN 228.A OD1 no hydrogen 2.914 N/A VAL 232.A N ASN 228.A O no hydrogen 2.902 N/A ASP 233.A N PHE 229.A O no hydrogen 3.059 N/A ALA 234.A N SER 230.A O no hydrogen 2.789 N/A ALA 235.A N GLY 231.A O no hydrogen 2.778 N/A LEU 236.A N VAL 232.A O no hydrogen 2.975 N/A ALA 237.A N ASP 233.A O no hydrogen 3.183 N/A SER 238.A N ALA 234.A O no hydrogen 2.909 N/A SER 238.A OG HIS 201.A ND1 no hydrogen 2.616 N/A ASP 240.A N ALA 237.A O no hydrogen 3.154 N/A ASP 240.A N SER 238.A O no hydrogen 3.108 N/A PHE 243.A N ASP 240.A OD1 no hydrogen 3.183 N/A THR 245.A N SER 241.A O no hydrogen 3.151 N/A THR 245.A OG1 SER 241.A O no hydrogen 3.263 N/A TYR 246.A N ALA 242.A O no hydrogen 3.045 N/A SER 247.A N PHE 243.A O no hydrogen 2.767 N/A SER 247.A OG ILE 200.A O no hydrogen 2.712 N/A LYS 248.A N ILE 244.A O no hydrogen 3.029 N/A LYS 248.A NZ ASN 174.A OD1 no hydrogen 2.717 N/A LYS 248.A NZ ASP 252.A OD2 no hydrogen 2.710 N/A LYS 249.A N THR 245.A O no hydrogen 3.034 N/A SER 250.A N TYR 246.A O no hydrogen 2.852 N/A ASN 251.A N SER 247.A O no hydrogen 3.278 N/A ASN 251.A ND2 GLY 274.A O no hydrogen 2.991 N/A ASP 252.A N LYS 248.A O no hydrogen 2.848 N/A VAL 253.A N LYS 249.A O no hydrogen 2.982 N/A SER 254.A N SER 250.A O no hydrogen 2.981 N/A SER 254.A OG SER 250.A O no hydrogen 3.313 N/A SER 254.A OG GLY 314.A O no hydrogen 2.627 N/A ARG 255.A N ASN 251.A O no hydrogen 2.928 N/A ARG 255.A NE SER 272.A OG no hydrogen 3.068 N/A ARG 255.A NH1 ASP 252.A OD1 no hydrogen 2.793 N/A ARG 255.A NH2 GLY 274.A O no hydrogen 2.920 N/A GLN 256.A N ASP 252.A O no hydrogen 3.248 N/A ILE 257.A N VAL 253.A O no hydrogen 3.310 N/A LEU 258.A N SER 254.A O no hydrogen 3.218 N/A LEU 259.A N ARG 255.A O no hydrogen 2.916 N/A LYS 260.A N GLN 256.A O no hydrogen 2.934 N/A LYS 260.A NZ.B ASP 264.A OD1 no hydrogen 2.642 N/A ALA 261.A N ILE 257.A O no hydrogen 3.358 N/A LEU 262.A N LEU 258.A O no hydrogen 3.016 N/A GLU 263.A N LEU 259.A O no hydrogen 2.936 N/A ASP 264.A N LYS 260.A O no hydrogen 3.066 N/A LEU 265.A N ALA 261.A O no hydrogen 3.015 N/A LYS 266.A N GLU 263.A O no hydrogen 3.240 N/A LEU 267.A N LEU 262.A O no hydrogen 2.894 N/A TYR 269.A OH GLU 263.A OE2 no hydrogen 2.769 N/A LEU 270.A N PHE 278.A O no hydrogen 3.046 N/A SER 272.A OG PHE 276.A O no hydrogen 2.657 N/A GLU 273.A N GLY 143.A O no hydrogen 2.912 N/A ASN 275.A ND2 ASN 16.A O no hydrogen 2.986 N/A VAL 277.A N ILE 311.A O no hydrogen 2.942 N/A HIS 279.A N CYS 309.A O no hydrogen 2.983 N/A HIS 279.A ND1 GLN 280.A O no hydrogen 2.889 N/A GLN 280.A N PRO 268.A O no hydrogen 2.861 N/A LEU 281.A N ASN 307.A O no hydrogen 2.774 N/A TYR 288.A N PRO 284.A O no hydrogen 3.004 N/A GLN 289.A N LEU 285.A O no hydrogen 2.814 N/A GLN 289.A NE2 GLY 299.A O no hydrogen 2.823 N/A THR 290.A N LYS 286.A O no hydrogen 3.043 N/A THR 290.A OG1 LYS 286.A O no hydrogen 3.032 N/A HIS 291.A N ASP 287.A O no hydrogen 2.838 N/A ASP 293.A N THR 290.A O no hydrogen 3.010 N/A ALA 294.A N HIS 291.A O no hydrogen 3.064 N/A GLY 295.A N ALA 292.A O no hydrogen 2.978 N/A LEU 297.A N ILE 11.A O no hydrogen 2.890 N/A GLY 299.A N ARG 310.A O no hydrogen 3.002 N/A ARG 300.A NH1 ALA 301.A O no hydrogen 3.041 N/A ALA 305.A N PHE 302.A O no hydrogen 3.009 N/A ASN 307.A N ASN 307.A OD1.B no hydrogen 2.610 N/A TRP 308.A N ALA 305.A O no hydrogen 3.310 N/A CYS 309.A N HIS 279.A O no hydrogen 2.789 N/A CYS 309.A SG HIS 279.A O no hydrogen 3.822 N/A ARG 310.A NH1 ASN 140.A OD1 no hydrogen 2.690 N/A ARG 310.A NH2 ASN 14.A O no hydrogen 2.918 N/A ILE 311.A N VAL 277.A O no hydrogen 2.837 N/A SER 312.A N ILE 13.A O no hydrogen 3.043 N/A LEU 313.A N ASN 275.A O no hydrogen 2.864 N/A THR 315.A N GLU 318.A OE1 no hydrogen 3.014 N/A THR 315.A OG1 GLN 317.A OE1.B no hydrogen 3.435 N/A GLU 318.A N THR 315.A OG1 no hydrogen 3.121 N/A GLN 319.A NE2 ASP 323.A OD2 no hydrogen 2.815 N/A TRP 320.A N GLN 317.A O no hydrogen 3.219 N/A VAL 321.A N GLU 318.A O no hydrogen 2.897 N/A ASP 323.A N GLN 319.A O no hydrogen 2.958 N/A THR 324.A N TRP 320.A O no hydrogen 2.904 N/A THR 324.A OG1 TRP 320.A O no hydrogen 2.848 N/A ARG 325.A NH1 ASP 323.A OD1 no hydrogen 2.908 N/A ARG 325.A NH2 ASP 264.A OD2 no hydrogen 2.993 N/A GLU 326.A N ASP 323.A O no hydrogen 3.040 N/A PHE 327.A N THR 324.A O no hydrogen 2.764 N/A ARG 328.A NE ILE 333.A O no hydrogen 2.869 N/A ARG 328.A NH1 LEU 265.A O no hydrogen 3.002 N/A ARG 328.A NH2 LEU 265.A O no hydrogen 3.474 N/A ARG 328.A NH2 ILE 333.A OXT no hydrogen 2.951 N/A LYS 329.A N ARG 325.A O no hydrogen 3.426 N/A LYS 329.A NZ GLU 326.A OE2 no hydrogen 2.797 N/A LYS 330.A N PHE 327.A O no hydrogen 3.012 N/A SER 331.A N ARG 328.A O no hydrogen 2.993 N/A TRP 332.A N PHE 327.A O no hydrogen 2.844 N/A