Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2nqg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N TRP 127.A O no hydrogen 3.069 N/A TYR 5.A N ASP 129.A O no hydrogen 2.893 N/A GLY 7.A N LYS 4.A O no hydrogen 3.013 N/A GLN 8.A N TYR 5.A O no hydrogen 3.150 N/A ASN 12.A N ASP 9.A OD1 no hydrogen 3.187 N/A LEU 13.A N ASP 9.A O no hydrogen 2.869 N/A ARG 14.A N TYR 10.A O no hydrogen 2.900 N/A ARG 14.A NE GLY 112.A O no hydrogen 2.843 N/A ARG 14.A NH1 GLU 11.A OE1.A no hydrogen 3.328 N/A ALA 15.A N GLU 11.A O no hydrogen 2.967 N/A ARG 16.A N ASN 12.A O no hydrogen 2.952 N/A CYS 17.A N LEU 13.A O no hydrogen 2.964 N/A CYS 17.A SG LEU 13.A O no hydrogen 3.285 N/A LEU 18.A N ARG 14.A O no hydrogen 3.012 N/A GLN 19.A N ALA 15.A O no hydrogen 2.839 N/A ASN 20.A N ARG 16.A O no hydrogen 2.937 N/A GLY 21.A N LEU 18.A O no hydrogen 3.359 N/A VAL 22.A N CYS 17.A O no hydrogen 3.030 N/A PHE 24.A N ALA 114.A O no hydrogen 2.920 N/A ASP 26.A N ASP 133.A OD1 no hydrogen 2.820 N/A ALA 28.A N ASP 26.A OD1 no hydrogen 3.034 N/A PHE 29.A N ASP 26.A O no hydrogen 3.187 N/A VAL 32.A N PRO 30.A O no hydrogen 2.891 N/A SER 35.A N VAL 32.A O no hydrogen 3.117 N/A SER 35.A OG PRO 30.A O no hydrogen 2.588 N/A LEU 36.A N SER 33.A O no hydrogen 2.951 N/A GLY 37.A N SER 33.A O no hydrogen 3.139 N/A PHE 38.A N GLU 171.A OE2 no hydrogen 3.088 N/A LYS 39.A N GLU 171.A OE2 no hydrogen 3.176 N/A GLU 40.A N GLU 171.A OE1 no hydrogen 2.763 N/A LEU 41.A N GLU 171.A OE2 no hydrogen 2.739 N/A GLY 42.A N LYS 39.A O no hydrogen 3.429 N/A SER 45.A N GLY 42.A O no hydrogen 3.274 N/A SER 45.A OG GLU 40.A O no hydrogen 3.456 N/A SER 45.A OG GLY 42.A O no hydrogen 2.931 N/A SER 45.A OG THR 48.A OG1 no hydrogen 2.981 N/A LYS 47.A NZ GLU 40.A OE2 no hydrogen 3.325 N/A THR 48.A N SER 45.A OG no hydrogen 3.256 N/A THR 48.A OG1 GLY 42.A O no hydrogen 2.766 N/A THR 48.A OG1 SER 45.A OG no hydrogen 2.981 N/A ILE 51.A N THR 48.A O no hydrogen 3.030 N/A LYS 52.A N THR 138.A O no hydrogen 2.824 N/A LYS 54.A N LEU 136.A O no hydrogen 3.040 N/A ARG 55.A N GLU 58.A OE2 no hydrogen 2.876 N/A ARG 55.A NH1 PHE 24.A O no hydrogen 3.114 N/A ARG 55.A NH1 GLY 115.A O no hydrogen 3.472 N/A ARG 55.A NH1 ASP 134.A OD2 no hydrogen 2.786 N/A ARG 55.A NH2 PHE 24.A O no hydrogen 2.839 N/A THR 57.A OG1 TYR 113.A OH no hydrogen 2.993 N/A GLU 58.A N ARG 55.A O no hydrogen 2.841 N/A LEU 59.A N ARG 55.A O no hydrogen 3.171 N/A LEU 60.A N PRO 56.A O no hydrogen 3.140 N/A GLN 64.A N ASN 152.A O no hydrogen 2.880 N/A VAL 67.A N GLU 153.A OE2 no hydrogen 2.716 N/A THR 71.A N ASP 74.A OD2 no hydrogen 2.808 N/A THR 71.A OG1 THR 73.A OG1 no hydrogen 3.251 N/A ARG 72.A NE GLU 301.A OE1 no hydrogen 3.382 N/A ARG 72.A NE GLU 301.A OE2 no hydrogen 2.946 N/A ARG 72.A NH2 GLU 301.A OE1 no hydrogen 2.785 N/A THR 73.A OG1 THR 71.A OG1 no hydrogen 3.251 N/A ASP 74.A N THR 71.A O no hydrogen 3.034 N/A ILE 75.A N ARG 72.A O no hydrogen 3.312 N/A CYS 76.A N HIS 147.A O no hydrogen 2.928 N/A CYS 76.A SG THR 73.A O no hydrogen 3.721 N/A GLN 77.A N PRO 265.A O no hydrogen 2.855 N/A GLN 77.A NE2 LEU 80.A O no hydrogen 2.635 N/A ALA 79.A N VAL 144.A O no hydrogen 2.960 N/A TRP 84.A NE1 LEU 173.A O no hydrogen 2.820 N/A LEU 86.A N ASP 82.A O no hydrogen 3.067 N/A ALA 87.A N CYS 83.A O no hydrogen 2.831 N/A ALA 88.A N TRP 84.A O no hydrogen 3.312 N/A ILE 89.A N LEU 85.A O no hydrogen 3.025 N/A ALA 90.A N LEU 86.A O no hydrogen 2.856 N/A SER 91.A N ALA 87.A O no hydrogen 3.000 N/A SER 91.A OG ALA 87.A O no hydrogen 3.212 N/A SER 91.A OG LEU 216.A O no hydrogen 3.166 N/A LEU 92.A N ALA 88.A O no hydrogen 2.839 N/A THR 93.A N ILE 89.A O no hydrogen 3.249 N/A THR 93.A OG1 ALA 90.A O no hydrogen 2.715 N/A LEU 94.A N SER 91.A O no hydrogen 2.961 N/A ASN 95.A N LEU 92.A O no hydrogen 3.154 N/A ASN 95.A ND2 GLY 213.A O no hydrogen 3.029 N/A ILE 98.A N ASN 95.A OD1 no hydrogen 3.396 N/A LEU 99.A N ASN 95.A O no hydrogen 2.798 N/A HIS 100.A N GLU 96.A O no hydrogen 3.061 N/A HIS 100.A ND1 VAL 103.A O no hydrogen 3.167 N/A ARG 101.A N ILE 98.A O no hydrogen 3.282 N/A VAL 102.A N ILE 98.A O no hydrogen 3.301 N/A VAL 103.A N LEU 99.A O no hydrogen 2.964 N/A GLN 107.A NE2 PRO 104.A O no hydrogen 3.119 N/A GLN 107.A NE2 HIS 118.A O no hydrogen 2.989 N/A SER 108.A OG GLU 111.A O no hydrogen 3.530 N/A GLN 110.A N SER 108.A OG no hydrogen 3.200 N/A GLN 110.A NE2 PRO 63.A O no hydrogen 3.410 N/A GLN 110.A NE2 GLN 64.A OE1 no hydrogen 3.270 N/A TYR 113.A N GLN 110.A O no hydrogen 2.997 N/A TYR 113.A OH THR 57.A OG1 no hydrogen 2.993 N/A TYR 113.A OH ASP 134.A OD1 no hydrogen 2.338 N/A TYR 113.A OH ASP 134.A OD2 no hydrogen 3.354 N/A PHE 117.A N VAL 132.A O no hydrogen 2.897 N/A HIS 118.A N GLN 107.A OE1 no hydrogen 3.034 N/A HIS 118.A ND1 ASP 129.A OD2 no hydrogen 2.616 N/A PHE 119.A N VAL 130.A O no hydrogen 2.944 N/A GLN 120.A N VAL 102.A O no hydrogen 2.972 N/A LEU 121.A N VAL 128.A O no hydrogen 3.000 N/A TRP 122.A N ASP 184.A O no hydrogen 2.719 N/A GLN 123.A N GLU 126.A O no hydrogen 2.762 N/A GLU 126.A N GLN 123.A O no hydrogen 2.992 N/A VAL 128.A N LEU 121.A O no hydrogen 2.787 N/A ASP 129.A N ILE 3.A O no hydrogen 2.752 N/A VAL 130.A N PHE 119.A O no hydrogen 2.739 N/A VAL 132.A N PHE 117.A O no hydrogen 2.916 N/A ASP 134.A N GLY 115.A O no hydrogen 3.077 N/A LEU 135.A N ASP 133.A OD2 no hydrogen 2.988 N/A LEU 136.A N LYS 54.A O no hydrogen 2.834 N/A THR 138.A N LYS 52.A O no hydrogen 2.892 N/A THR 138.A OG1 LYS 52.A O no hydrogen 2.760 N/A LYS 139.A N LYS 142.A O no hydrogen 2.785 N/A LYS 139.A NZ ASP 140.A OD1 no hydrogen 3.469 N/A LYS 142.A N LYS 139.A O no hydrogen 2.963 N/A VAL 144.A N PRO 137.A O no hydrogen 3.056 N/A VAL 146.A N GLU 160.A OE2 no hydrogen 2.841 N/A HIS 147.A N CYS 76.A O no hydrogen 3.122 N/A HIS 147.A ND1 PHE 145.A O no hydrogen 3.151 N/A SER 148.A OG ASP 74.A OD1 no hydrogen 3.507 N/A SER 148.A OG GLN 150.A O no hydrogen 3.454 N/A SER 148.A OG GLU 153.A OE1 no hydrogen 2.781 N/A ALA 149.A N THR 73.A O no hydrogen 3.250 N/A GLN 150.A N SER 148.A OG no hydrogen 3.042 N/A GLU 153.A N GLN 150.A O no hydrogen 2.976 N/A PHE 154.A N GLN 64.A O no hydrogen 3.009 N/A TRP 155.A N PHE 65.A O no hydrogen 2.812 N/A TRP 155.A NE1 ASP 74.A OD2 no hydrogen 2.836 N/A SER 156.A OG ASP 74.A O no hydrogen 2.670 N/A LEU 158.A N PHE 154.A O no hydrogen 3.106 N/A LEU 159.A N TRP 155.A O no hydrogen 2.893 N/A GLU 160.A N SER 156.A O no hydrogen 3.035 N/A LYS 161.A N ALA 157.A O no hydrogen 3.080 N/A LYS 161.A NZ ASP 133.A O no hydrogen 2.894 N/A LYS 161.A NZ LEU 135.A O no hydrogen 2.613 N/A ALA 162.A N LEU 158.A O no hydrogen 3.081 N/A TYR 163.A N LEU 159.A O no hydrogen 2.944 N/A TYR 163.A OH ASP 184.A OD1 no hydrogen 2.431 N/A ALA 164.A N GLU 160.A O no hydrogen 2.907 N/A LYS 165.A N LYS 161.A O no hydrogen 2.991 N/A LYS 165.A NZ ASP 26.A OD1 no hydrogen 3.484 N/A LYS 165.A NZ ASP 26.A OD2 no hydrogen 2.841 N/A LYS 165.A NZ VAL 131.A O no hydrogen 2.831 N/A VAL 166.A N ALA 162.A O no hydrogen 3.259 N/A ASN 167.A N TYR 163.A O no hydrogen 3.342 N/A ASN 167.A ND2 TYR 163.A O no hydrogen 2.731 N/A GLY 168.A N LYS 165.A O no hydrogen 3.103 N/A TYR 170.A N SER 35.A O no hydrogen 3.083 N/A GLU 171.A N LEU 36.A O no hydrogen 2.897 N/A ALA 172.A N SER 169.A OG no hydrogen 3.127 N/A LEU 173.A N TYR 170.A O no hydrogen 2.822 N/A SER 174.A N GLU 171.A O no hydrogen 2.835 N/A GLY 175.A N GLY 81.A O no hydrogen 2.951 N/A SER 179.A N GLU 317.A OE2 no hydrogen 2.999 N/A SER 179.A OG GLU 317.A OE2 no hydrogen 2.520 N/A GLU 180.A N CYS 177.A O no hydrogen 2.968 N/A PHE 182.A N THR 178.A O no hydrogen 3.015 N/A GLU 183.A N SER 179.A O no hydrogen 3.066 N/A ASP 184.A N GLU 180.A O no hydrogen 3.088 N/A PHE 185.A N ALA 181.A O no hydrogen 3.151 N/A THR 186.A N GLU 183.A O no hydrogen 2.923 N/A THR 186.A OG1 PHE 182.A O no hydrogen 2.634 N/A THR 186.A OG1 GLU 183.A O no hydrogen 3.519 N/A GLY 187.A N GLU 183.A O no hydrogen 2.612 N/A GLY 188.A N THR 186.A OG1 no hydrogen 2.973 N/A VAL 189.A N ASN 320.A O no hydrogen 3.111 N/A THR 190.A OG1 GLU 183.A OE2 no hydrogen 2.656 N/A GLU 191.A N ILE 318.A O no hydrogen 2.814 N/A TYR 193.A N LEU 316.A O no hydrogen 2.651 N/A TYR 193.A OH GLU 191.A OE2 no hydrogen 2.480 N/A LEU 195.A N THR 314.A O no hydrogen 3.000 N/A GLN 196.A N ASP 194.A OD2 no hydrogen 2.972 N/A GLN 196.A NE2 PHE 313.A O no hydrogen 3.213 N/A LYS 197.A N ASP 194.A O no hydrogen 2.852 N/A LEU 202.A N PRO 199.A O no hydrogen 3.182 N/A TYR 203.A OH LEU 259.A O no hydrogen 2.736 N/A ILE 205.A N ASP 201.A O no hydrogen 3.189 N/A ILE 206.A N LEU 202.A O no hydrogen 3.116 N/A LEU 207.A N TYR 203.A O no hydrogen 3.050 N/A LYS 208.A N GLN 204.A O no hydrogen 2.891 N/A ALA 209.A N ILE 205.A O no hydrogen 2.849 N/A LEU 210.A N ILE 206.A O no hydrogen 2.810 N/A GLU 211.A N LEU 207.A O no hydrogen 3.014 N/A ARG 212.A N LYS 208.A O no hydrogen 3.240 N/A ARG 212.A NH2 LEU 321.A O no hydrogen 2.908 N/A GLY 213.A N LEU 210.A O no hydrogen 3.232 N/A SER 214.A N ALA 209.A O no hydrogen 3.150 N/A SER 214.A OG ALA 209.A O no hydrogen 3.239 N/A LEU 215.A N CYS 319.A O no hydrogen 2.953 N/A GLY 217.A N GLU 317.A O no hydrogen 2.995 N/A CYS 218.A N TYR 242.A O no hydrogen 2.960 N/A SER 219.A N LYS 315.A O no hydrogen 3.106 N/A ASN 221.A N THR 314.A OG1 no hydrogen 2.887 N/A SER 223.A OG ASN 221.A O no hydrogen 3.500 N/A GLU 229.A N ARG 226.A O no hydrogen 3.296 N/A THR 232.A N LEU 236.A O no hydrogen 2.782 N/A ASN 235.A N THR 232.A O no hydrogen 3.208 N/A ASN 235.A ND2 GLU 270.A O no hydrogen 3.101 N/A LEU 236.A N THR 232.A OG1 no hydrogen 3.099 N/A VAL 237.A N TYR 242.A OH no hydrogen 2.782 N/A ARG 238.A N ALA 230.A O no hydrogen 2.719 N/A ARG 238.A NE.A GLU 229.A O no hydrogen 3.255 N/A ARG 238.A NH2.A GLU 229.A O no hydrogen 3.119 N/A GLY 239.A N ILE 220.A O no hydrogen 2.737 N/A HIS 240.A NE2 ASN 264.A OD1 no hydrogen 2.490 N/A TYR 242.A N CYS 218.A O no hydrogen 2.826 N/A SER 243.A N ARG 263.A O no hydrogen 3.098 N/A SER 243.A OG ALA 87.A O no hydrogen 2.685 N/A VAL 244.A N LEU 216.A O no hydrogen 2.941 N/A THR 245.A N ARG 261.A O no hydrogen 2.747 N/A THR 245.A OG1 ARG 261.A O no hydrogen 3.471 N/A THR 245.A OG1 GLU 301.A OE2 no hydrogen 2.618 N/A ASP 246.A N ARG 261.A O no hydrogen 3.293 N/A ALA 247.A N ASP 246.A OD1 no hydrogen 2.924 N/A LYS 248.A N LEU 259.A O no hydrogen 3.154 N/A LYS 248.A NZ ASP 246.A OD1 no hydrogen 3.011 N/A LYS 248.A NZ ALA 247.A O no hydrogen 3.561 N/A VAL 250.A N VAL 257.A O no hydrogen 2.956 N/A THR 251.A N GLU 289.A OE1 no hydrogen 2.961 N/A THR 251.A OG1 GLU 289.A OE2 no hydrogen 3.413 N/A TYR 252.A N GLN 255.A O no hydrogen 2.488 N/A GLN 253.A N LYS 284.A O no hydrogen 3.087 N/A GLN 255.A N TYR 252.A O no hydrogen 3.009 N/A ARG 256.A NH1 GLN 249.A OE1.B no hydrogen 3.420 N/A VAL 257.A N VAL 250.A O no hydrogen 2.773 N/A ASN 258.A ND2 GLN 249.A OE1.B no hydrogen 3.244 N/A LEU 259.A N LYS 248.A O no hydrogen 2.783 N/A ILE 260.A N MET 304.A O no hydrogen 2.983 N/A ARG 261.A N ASP 246.A O no hydrogen 2.903 N/A ARG 261.A NE THR 245.A OG1 no hydrogen 2.792 N/A ARG 261.A NH2 THR 245.A O no hydrogen 3.169 N/A MET 262.A N PHE 302.A O no hydrogen 3.052 N/A ARG 263.A N SER 243.A O no hydrogen 2.799 N/A ARG 263.A NH1 ILE 75.A O no hydrogen 2.775 N/A ARG 263.A NH2 ILE 75.A O no hydrogen 3.047 N/A ASN 264.A N GLY 300.A O no hydrogen 2.792 N/A ASN 264.A ND2 VAL 269.A O no hydrogen 3.012 N/A TRP 266.A N ASN 264.A OD1 no hydrogen 3.090 N/A GLY 267.A N ASN 264.A O no hydrogen 2.765 N/A VAL 269.A N GLU 298.A OE2 no hydrogen 2.514 N/A TRP 271.A NE1 PRO 274.A O no hydrogen 2.880 N/A LYS 272.A N LYS 234.A O no hydrogen 2.803 N/A SER 276.A N GLY 273.A O no hydrogen 3.119 N/A SER 276.A OG GLY 273.A O no hydrogen 2.634 N/A SER 279.A N SER 276.A O no hydrogen 3.134 N/A SER 279.A OG SER 276.A O no hydrogen 2.801 N/A GLU 281.A N GLU 281.A OE2 no hydrogen 2.813 N/A TRP 282.A NE1 TRP 275.A O no hydrogen 2.835 N/A ASN 283.A N TYR 280.A O no hydrogen 2.696 N/A LYS 284.A N GLU 281.A O no hydrogen 2.950 N/A TYR 288.A N ASP 286.A OD1 no hydrogen 3.303 N/A ARG 290.A N ASP 286.A O no hydrogen 3.187 N/A ARG 290.A NE TRP 282.A O no hydrogen 2.553 N/A ARG 290.A NH2 TRP 282.A O no hydrogen 3.177 N/A GLU 291.A N PRO 287.A O no hydrogen 3.000 N/A GLN 292.A N TYR 288.A O no hydrogen 2.850 N/A LEU 293.A N GLU 289.A O no hydrogen 3.046 N/A ARG 294.A N ARG 290.A O no hydrogen 2.804 N/A MET 297.A N ASP 277.A OD1 no hydrogen 3.147 N/A ASP 299.A N GLU 270.A OE2 no hydrogen 2.906 N/A GLY 300.A N GLU 270.A OE2 no hydrogen 2.878 N/A GLU 301.A N ASP 299.A OD1 no hydrogen 2.907 N/A PHE 302.A N MET 262.A O no hydrogen 2.881 N/A TRP 303.A NE1 LEU 293.A O no hydrogen 2.940 N/A MET 304.A N ILE 260.A O no hydrogen 2.926 N/A PHE 306.A N ASN 258.A O no hydrogen 2.930 N/A ASP 308.A N SER 305.A OG no hydrogen 3.158 N/A PHE 309.A N SER 305.A O no hydrogen 2.898 N/A ILE 310.A N PHE 306.A O no hydrogen 2.971 N/A ARG 311.A N ARG 307.A O no hydrogen 3.319 N/A ARG 311.A NH1 ASP 308.A OD1 no hydrogen 2.636 N/A ARG 311.A NH2 ASP 308.A OD1 no hydrogen 3.220 N/A ARG 311.A NH2 GLU 312.A OE1 no hydrogen 3.153 N/A GLU 312.A N ASP 308.A O no hydrogen 2.693 N/A PHE 313.A N PHE 309.A O no hydrogen 2.820 N/A THR 314.A N SER 219.A O no hydrogen 3.042 N/A THR 314.A OG1 SER 219.A O no hydrogen 3.454 N/A LYS 315.A N SER 219.A O no hydrogen 3.178 N/A LEU 316.A N TYR 193.A O no hydrogen 3.139 N/A GLU 317.A N GLY 217.A O no hydrogen 2.872 N/A ILE 318.A N GLU 191.A O no hydrogen 2.850 N/A CYS 319.A N LEU 215.A O no hydrogen 2.769 N/A CYS 319.A SG THR 186.A OG1 no hydrogen 3.202 N/A ASN 320.A N VAL 189.A O no hydrogen 2.947 N/A