Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2q1n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 GLU 73.A O no hydrogen 2.853 N/A LEU 5.A N PRO 75.A O no hydrogen 2.807 N/A VAL 6.A N GLY 17.A O no hydrogen 2.768 N/A CYS 7.A N LEU 77.A O no hydrogen 2.903 N/A CYS 7.A SG ASN 9.A OD1 no hydrogen 3.544 N/A ASP 8.A N LYS 15.A O no hydrogen 2.591 N/A GLY 10.A N LEU 13.A O no hydrogen 2.955 N/A VAL 14.A N PHE 28.A O no hydrogen 2.856 N/A LYS 15.A N ASP 8.A O no hydrogen 2.713 N/A LYS 15.A NZ LEU 13.A O no hydrogen 3.187 N/A ALA 16.A N ALA 26.A O no hydrogen 2.920 N/A GLY 17.A N VAL 6.A O no hydrogen 2.953 N/A ALA 19.A N ALA 4.A O no hydrogen 2.759 N/A GLY 20.A N SER 317.A OG no hydrogen 2.654 N/A ASP 21.A N PHE 18.A O no hydrogen 3.189 N/A ALA 26.A N ALA 16.A O no hydrogen 3.103 N/A PHE 28.A N VAL 14.A O no hydrogen 3.189 N/A SER 30.A N GLY 12.A O no hydrogen 2.810 N/A SER 30.A OG GLY 10.A O no hydrogen 2.759 N/A VAL 32.A N LYS 41.A O no hydrogen 3.035 N/A ARG 34.A N THR 39.A O no hydrogen 2.850 N/A ARG 36.A NE THR 39.A OG1 no hydrogen 3.064 N/A THR 39.A N ARG 34.A O no hydrogen 2.834 N/A LYS 41.A N VAL 32.A O no hydrogen 3.223 N/A LYS 41.A NZ ASP 54.A OD2 no hydrogen 3.214 N/A GLU 45.A N ILE 48.A O no hydrogen 3.024 N/A HIS 46.A ND1 GLY 131.A O no hydrogen 2.985 N/A ILE 48.A N GLU 45.A O no hydrogen 3.064 N/A THR 50.A N PRO 43.A O no hydrogen 3.046 N/A THR 50.A OG1 PRO 43.A O no hydrogen 2.662 N/A ASP 54.A N ASN 51.A OD1 no hydrogen 3.130 N/A MET 55.A N ASN 51.A O no hydrogen 3.142 N/A GLU 56.A N TRP 52.A O no hydrogen 2.795 N/A LYS 57.A N ASP 53.A O no hydrogen 3.220 N/A ILE 58.A N ASP 54.A O no hydrogen 3.234 N/A TRP 59.A N MET 55.A O no hydrogen 3.117 N/A TRP 59.A NE1 ASN 9.A OD1 no hydrogen 2.737 N/A HIS 60.A N GLU 56.A O no hydrogen 2.798 N/A HIS 61.A N LYS 57.A O no hydrogen 2.953 N/A THR 62.A N ILE 58.A O no hydrogen 2.813 N/A THR 62.A OG1 ILE 58.A O no hydrogen 2.760 N/A PHE 63.A N TRP 59.A O no hydrogen 3.106 N/A TYR 64.A N HIS 60.A O no hydrogen 3.113 N/A GLU 66.A N HIS 61.A O no hydrogen 2.748 N/A LEU 67.A N THR 62.A O no hydrogen 2.694 N/A VAL 69.A N PHE 63.A O no hydrogen 2.830 N/A GLU 72.A N GLU 72.A OE2 no hydrogen 2.519 N/A GLU 73.A N ALA 70.A O no hydrogen 3.001 N/A HIS 74.A N PRO 71.A O no hydrogen 3.507 N/A HIS 74.A ND1 THR 3.A O no hydrogen 2.848 N/A THR 76.A N ALA 104.A O no hydrogen 2.924 N/A THR 76.A OG1 HIS 74.A O no hydrogen 3.515 N/A LEU 77.A N LEU 5.A O no hydrogen 2.711 N/A LEU 78.A N TYR 106.A O no hydrogen 2.853 N/A THR 79.A OG1 ASP 8.A OD1 no hydrogen 2.544 N/A GLU 80.A N ALA 108.A O no hydrogen 2.772 N/A ASN 84.A ND2 GLU 80.A OE1 no hydrogen 3.051 N/A ASN 84.A ND2 ASN 88.A OD1 no hydrogen 2.889 N/A ASN 88.A N PRO 85.A O no hydrogen 2.914 N/A ASN 88.A ND2 ILE 49.A O no hydrogen 3.275 N/A ARG 89.A N PRO 85.A O no hydrogen 3.378 N/A ARG 89.A NH1 GLU 80.A OE1 no hydrogen 3.489 N/A ARG 89.A NH1 GLU 80.A OE2 no hydrogen 3.431 N/A ARG 89.A NH1 ASN 84.A O no hydrogen 3.452 N/A ARG 89.A NH2 HIS 344.A ND1 no hydrogen 3.524 N/A GLU 90.A N LYS 86.A O no hydrogen 3.109 N/A LYS 91.A N ALA 87.A O no hydrogen 3.183 N/A MET 92.A N ASN 88.A O no hydrogen 3.275 N/A THR 93.A N ARG 89.A O no hydrogen 3.203 N/A GLN 94.A N GLU 90.A O no hydrogen 2.891 N/A ILE 95.A N LYS 91.A O no hydrogen 2.957 N/A MET 96.A N MET 92.A O no hydrogen 3.005 N/A PHE 97.A N THR 93.A O no hydrogen 3.078 N/A GLU 98.A N GLN 94.A O no hydrogen 3.038 N/A THR 99.A N ILE 95.A O no hydrogen 2.858 N/A PHE 100.A N ILE 95.A O no hydrogen 3.115 N/A ASN 101.A ND2 PHE 97.A O no hydrogen 3.376 N/A VAL 102.A N MET 96.A O no hydrogen 3.044 N/A MET 105.A N ILE 330.A O no hydrogen 2.960 N/A TYR 106.A N THR 76.A O no hydrogen 3.320 N/A ALA 108.A N LEU 78.A O no hydrogen 2.994 N/A GLN 110.A N GLU 80.A O no hydrogen 3.038 N/A GLN 110.A NE2 THR 79.A OG1 no hydrogen 3.226 N/A LEU 113.A N ILE 109.A O no hydrogen 3.208 N/A SER 114.A N GLN 110.A O no hydrogen 3.098 N/A SER 114.A OG GLN 110.A O no hydrogen 3.457 N/A SER 114.A OG SER 273.A OG no hydrogen 2.599 N/A LEU 115.A N ALA 111.A O no hydrogen 3.253 N/A TYR 116.A N VAL 112.A O no hydrogen 3.037 N/A ALA 117.A N LEU 113.A O no hydrogen 2.854 N/A SER 118.A N SER 114.A O no hydrogen 3.126 N/A SER 118.A N LEU 115.A O no hydrogen 2.759 N/A SER 118.A OG LEU 115.A O no hydrogen 2.465 N/A GLY 119.A N TYR 116.A O no hydrogen 2.759 N/A ARG 120.A N LEU 115.A O no hydrogen 3.375 N/A ARG 120.A NE ASN 269.A OD1 no hydrogen 3.394 N/A GLY 123.A N ILE 138.A O no hydrogen 2.920 N/A ILE 124.A N ASN 269.A O no hydrogen 2.868 N/A VAL 125.A N VAL 136.A O no hydrogen 2.861 N/A LEU 126.A N VAL 271.A O no hydrogen 2.858 N/A ASP 127.A N HIS 134.A O no hydrogen 2.999 N/A SER 128.A N SER 273.A O no hydrogen 3.011 N/A SER 128.A OG THR 133.A OG1 no hydrogen 3.123 N/A GLY 129.A N VAL 132.A O no hydrogen 3.207 N/A THR 133.A N LEU 151.A O no hydrogen 2.899 N/A THR 133.A OG1 SER 128.A OG no hydrogen 3.123 N/A THR 133.A OG1 LEU 153.A O no hydrogen 2.626 N/A HIS 134.A N ASP 127.A O no hydrogen 2.842 N/A ASN 135.A N MET 149.A O no hydrogen 2.755 N/A ASN 135.A ND2 VAL 125.A O no hydrogen 3.418 N/A VAL 136.A N VAL 125.A O no hydrogen 2.926 N/A ILE 138.A N GLY 123.A O no hydrogen 2.719 N/A TYR 139.A N TYR 142.A O no hydrogen 2.958 N/A GLU 140.A N THR 122.A OG1 no hydrogen 2.790 N/A GLY 141.A N THR 121.A O no hydrogen 2.673 N/A TYR 142.A N TYR 139.A O no hydrogen 2.879 N/A LEU 144.A N PRO 137.A O no hydrogen 3.084 N/A ALA 147.A N LEU 144.A O no hydrogen 3.367 N/A ILE 148.A N PRO 145.A O no hydrogen 3.436 N/A MET 149.A N ASN 135.A O no hydrogen 2.871 N/A ARG 150.A NE ASP 152.A OD1 no hydrogen 2.874 N/A ARG 150.A NH2 ASP 152.A OD1 no hydrogen 3.342 N/A ARG 150.A NH2 ASP 152.A OD2 no hydrogen 3.266 N/A LEU 153.A N LEU 151.A O no hydrogen 2.831 N/A GLY 155.A N GLY 129.A O no hydrogen 2.877 N/A ARG 156.A N ASP 130.A O no hydrogen 3.135 N/A ARG 156.A NE ASP 130.A OD2 no hydrogen 3.095 N/A ARG 156.A NH2 ASP 130.A OD2 no hydrogen 3.161 N/A LEU 158.A N ALA 154.A O no hydrogen 2.960 N/A THR 159.A N GLY 155.A O no hydrogen 2.787 N/A THR 159.A OG1 GLY 155.A O no hydrogen 2.981 N/A ASP 160.A N ARG 156.A O no hydrogen 2.824 N/A TYR 161.A N ASP 157.A O no hydrogen 3.054 N/A LEU 162.A N LEU 158.A O no hydrogen 3.149 N/A MET 163.A N THR 159.A O no hydrogen 3.050 N/A LYS 164.A N ASP 160.A O no hydrogen 3.173 N/A ILE 165.A N TYR 161.A O no hydrogen 2.789 N/A LEU 166.A N LEU 162.A O no hydrogen 2.990 N/A THR 167.A N LYS 164.A O no hydrogen 3.023 N/A THR 167.A OG1 MET 163.A O no hydrogen 3.222 N/A ARG 169.A N LEU 166.A O no hydrogen 3.189 N/A ARG 169.A NE GLU 226.A OE2 no hydrogen 2.996 N/A GLY 170.A N THR 167.A O no hydrogen 3.081 N/A TYR 171.A N LEU 166.A O no hydrogen 3.318 N/A TYR 171.A OH THR 222.A O no hydrogen 3.060 N/A VAL 174.A N GLU 178.A OE1 no hydrogen 3.125 N/A GLU 178.A N THR 175.A OG1 no hydrogen 3.316 N/A ARG 179.A N THR 175.A O no hydrogen 2.836 N/A ARG 179.A NH1 ASP 160.A OD1 no hydrogen 3.320 N/A GLU 180.A N THR 176.A O no hydrogen 3.356 N/A ILE 181.A N ALA 177.A O no hydrogen 3.368 N/A VAL 182.A N GLU 178.A O no hydrogen 3.074 N/A ARG 183.A N ARG 179.A O no hydrogen 2.814 N/A ARG 183.A NE GLU 180.A OE1 no hydrogen 3.056 N/A ARG 183.A NH1 GLU 187.A OE2 no hydrogen 3.369 N/A ARG 183.A NH2 GLU 180.A OE1 no hydrogen 3.283 N/A ASP 184.A N GLU 180.A O no hydrogen 3.202 N/A ILE 185.A N ILE 181.A O no hydrogen 3.108 N/A LYS 186.A N VAL 182.A O no hydrogen 2.832 N/A LYS 186.A NZ GLY 155.A O no hydrogen 2.677 N/A LYS 186.A NZ THR 159.A OG1 no hydrogen 2.898 N/A GLU 187.A N ARG 183.A O no hydrogen 2.949 N/A LYS 188.A N ASP 184.A O no hydrogen 2.830 N/A LYS 188.A N ILE 185.A O no hydrogen 2.962 N/A LYS 188.A NZ ASP 184.A OD1 no hydrogen 2.615 N/A LEU 189.A N ILE 185.A O no hydrogen 2.836 N/A CYS 190.A SG GLU 226.A O no hydrogen 4.035 N/A TYR 191.A N ARG 227.A O no hydrogen 2.866 N/A TYR 191.A OH GLU 199.A OE2 no hydrogen 2.514 N/A VAL 192.A N PRO 280.A O no hydrogen 2.948 N/A GLU 199.A N ASP 195.A O no hydrogen 3.002 N/A MET 200.A N PHE 196.A O no hydrogen 2.746 N/A ALA 201.A N GLU 197.A O no hydrogen 2.886 N/A THR 202.A N ASN 198.A O no hydrogen 2.899 N/A THR 202.A OG1 ASN 198.A O no hydrogen 3.119 N/A ALA 203.A N GLU 199.A O no hydrogen 3.099 N/A ALA 204.A N MET 200.A O no hydrogen 2.909 N/A SER 205.A N ALA 201.A O no hydrogen 3.005 N/A SER 205.A OG ALA 201.A O no hydrogen 2.704 N/A SER 206.A N THR 202.A O no hydrogen 3.067 N/A SER 206.A OG THR 202.A O no hydrogen 2.720 N/A GLU 210.A N SER 207.A O no hydrogen 3.375 N/A LYS 211.A N ILE 223.A O no hydrogen 3.247 N/A TYR 213.A N ILE 221.A O no hydrogen 2.835 N/A TYR 213.A OH ASP 184.A OD2 no hydrogen 2.473 N/A LEU 215.A N GLN 219.A O no hydrogen 2.880 N/A GLY 218.A N LEU 215.A O no hydrogen 3.153 N/A GLN 219.A NE2 ASP 217.A OD2 no hydrogen 2.927 N/A ILE 221.A N TYR 213.A O no hydrogen 2.934 N/A THR 222.A N TYR 171.A OH no hydrogen 3.099 N/A ILE 223.A N LYS 211.A O no hydrogen 3.211 N/A GLY 224.A N GLU 226.A OE1 no hydrogen 2.618 N/A GLU 226.A N GLU 226.A OE1 no hydrogen 2.721 N/A ARG 227.A N GLY 224.A O no hydrogen 2.706 N/A ARG 227.A NE LEU 189.A O no hydrogen 3.093 N/A ARG 227.A NH1 LEU 209.A O no hydrogen 2.957 N/A ARG 227.A NH2 LEU 189.A O no hydrogen 3.270 N/A PHE 228.A N ASN 225.A O no hydrogen 3.179 N/A ARG 229.A N ASN 225.A O no hydrogen 2.800 N/A ARG 229.A NH1 ASN 225.A OD1 no hydrogen 2.812 N/A ARG 229.A NH2 GLU 168.A OE2 no hydrogen 2.911 N/A CYS 230.A N GLU 226.A O no hydrogen 3.092 N/A CYS 230.A SG LEU 158.A O no hydrogen 3.288 N/A GLU 232.A N PHE 228.A O no hydrogen 3.150 N/A THR 233.A N CYS 230.A O no hydrogen 3.218 N/A THR 233.A OG1 CYS 230.A O no hydrogen 2.541 N/A LEU 234.A N PRO 231.A O no hydrogen 3.100 N/A PHE 235.A N GLU 232.A O no hydrogen 2.773 N/A GLN 236.A N GLU 232.A O no hydrogen 2.911 N/A SER 238.A N GLN 236.A OE1 no hydrogen 3.182 N/A SER 238.A OG GLN 236.A OE1 no hydrogen 2.517 N/A PHE 239.A N GLN 236.A O no hydrogen 3.318 N/A ILE 240.A N PRO 237.A O no hydrogen 3.180 N/A GLY 241.A N SER 238.A O no hydrogen 3.253 N/A MET 242.A N PRO 237.A O no hydrogen 3.356 N/A GLY 246.A N GLU 249.A OE2 no hydrogen 3.295 N/A ILE 247.A N LEU 234.A O no hydrogen 3.010 N/A THR 250.A N GLY 246.A O no hydrogen 2.987 N/A THR 250.A OG1 ASN 135.A OD1 no hydrogen 3.434 N/A THR 250.A OG1 GLY 246.A O no hydrogen 3.098 N/A THR 250.A OG1 ILE 247.A O no hydrogen 2.920 N/A THR 251.A N ILE 247.A O no hydrogen 2.949 N/A THR 251.A OG1 ASN 135.A OD1 no hydrogen 3.062 N/A THR 251.A OG1 ILE 247.A O no hydrogen 2.904 N/A TYR 252.A N HIS 248.A O no hydrogen 3.097 N/A ASN 253.A N GLU 249.A O no hydrogen 2.787 N/A SER 254.A N THR 250.A O no hydrogen 2.742 N/A SER 254.A OG ALA 147.A O no hydrogen 2.618 N/A ILE 255.A N THR 251.A O no hydrogen 3.246 N/A MET 256.A N TYR 252.A O no hydrogen 3.031 N/A LYS 257.A N ASN 253.A O no hydrogen 3.110 N/A CYS 258.A N ILE 255.A O no hydrogen 3.215 N/A CYS 258.A SG SER 254.A O no hydrogen 3.320 N/A ILE 262.A N ASP 259.A O no hydrogen 3.390 N/A ARG 263.A N ILE 260.A O no hydrogen 3.208 N/A ARG 263.A NE CYS 258.A O no hydrogen 3.226 N/A ARG 263.A NH2 CYS 258.A O no hydrogen 3.312 N/A LEU 266.A N ILE 262.A O no hydrogen 2.914 N/A TYR 267.A N ARG 263.A O no hydrogen 2.837 N/A ALA 268.A N LYS 264.A O no hydrogen 3.204 N/A ASN 269.A N LEU 266.A O no hydrogen 2.786 N/A ASN 269.A ND2 ASP 265.A O no hydrogen 2.610 N/A ASN 270.A N LYS 301.A O no hydrogen 3.171 N/A ASN 270.A ND2 TYR 267.A O no hydrogen 3.291 N/A VAL 271.A N ILE 124.A O no hydrogen 3.051 N/A MET 272.A N ILE 303.A O no hydrogen 2.935 N/A SER 273.A N LEU 126.A O no hydrogen 2.662 N/A SER 273.A OG SER 114.A OG no hydrogen 2.599 N/A SER 273.A OG ASP 127.A OD1 no hydrogen 3.096 N/A GLY 274.A N ARG 308.A O no hydrogen 2.864 N/A THR 276.A N SER 128.A O no hydrogen 3.085 N/A THR 276.A OG1 GLY 129.A O no hydrogen 2.800 N/A THR 277.A N GLY 274.A O no hydrogen 2.979 N/A THR 277.A OG1 GLY 274.A O no hydrogen 2.738 N/A MET 278.A N GLY 275.A O no hydrogen 3.229 N/A ILE 282.A N TYR 279.A O no hydrogen 3.242 N/A ARG 285.A N GLY 281.A O no hydrogen 3.336 N/A ARG 285.A NE GLU 289.A OE2 no hydrogen 3.249 N/A ARG 285.A NH1 ALA 193.A O no hydrogen 2.806 N/A ARG 285.A NH1 GLU 232.A OE1 no hydrogen 3.041 N/A ARG 285.A NH1 GLU 232.A OE2 no hydrogen 3.225 N/A ARG 285.A NH2 GLU 232.A OE2 no hydrogen 2.947 N/A ARG 285.A NH2 GLU 289.A OE2 no hydrogen 3.153 N/A MET 286.A N ILE 282.A O no hydrogen 3.112 N/A GLN 287.A N ALA 283.A O no hydrogen 3.304 N/A GLN 287.A NE2 ILE 300.A O no hydrogen 2.761 N/A LYS 288.A N ASP 284.A O no hydrogen 3.109 N/A LYS 288.A NZ LEU 194.A O no hydrogen 2.593 N/A GLU 289.A N ARG 285.A O no hydrogen 2.963 N/A ILE 290.A N MET 286.A O no hydrogen 2.877 N/A THR 291.A N GLN 287.A O no hydrogen 2.989 N/A THR 291.A OG1 GLN 287.A O no hydrogen 2.412 N/A THR 291.A OG1 LYS 288.A O no hydrogen 3.506 N/A ALA 292.A N LYS 288.A O no hydrogen 3.226 N/A LEU 293.A N GLU 289.A O no hydrogen 3.420 N/A ALA 294.A N ILE 290.A O no hydrogen 3.157 N/A MET 298.A N PRO 295.A O no hydrogen 3.416 N/A LYS 301.A N TYR 267.A O no hydrogen 3.214 N/A ILE 303.A N ASN 270.A O no hydrogen 2.610 N/A GLU 307.A N GLU 307.A OE2 no hydrogen 2.756 N/A ARG 308.A N PRO 305.A O no hydrogen 3.099 N/A ARG 308.A NE THR 277.A O no hydrogen 2.981 N/A ARG 308.A NE THR 277.A OG1 no hydrogen 3.185 N/A ARG 308.A NH1 PRO 305.A O no hydrogen 2.840 N/A ARG 308.A NH2 THR 277.A O no hydrogen 2.970 N/A TYR 310.A N GLU 307.A O no hydrogen 3.038 N/A TRP 313.A NE1 VAL 6.A O no hydrogen 3.045 N/A ILE 314.A N TYR 310.A O no hydrogen 2.991 N/A GLY 315.A N SER 311.A O no hydrogen 2.816 N/A GLY 316.A N VAL 312.A O no hydrogen 3.026 N/A SER 317.A N TRP 313.A O no hydrogen 2.969 N/A SER 317.A OG ASP 21.A O no hydrogen 2.888 N/A ILE 318.A N ILE 314.A O no hydrogen 2.956 N/A LEU 319.A N GLY 315.A O no hydrogen 2.954 N/A ALA 320.A N GLY 316.A O no hydrogen 2.843 N/A SER 321.A N SER 317.A O no hydrogen 3.370 N/A SER 321.A OG SER 317.A O no hydrogen 3.066 N/A LEU 322.A N ILE 318.A O no hydrogen 3.097 N/A LEU 322.A N LEU 319.A O no hydrogen 2.986 N/A GLN 326.A N SER 323.A O no hydrogen 3.421 N/A GLN 326.A NE2 ALA 320.A O no hydrogen 2.741 N/A GLN 326.A NE2 LEU 322.A O no hydrogen 2.545 N/A GLN 327.A NE2 THR 324.A O no hydrogen 3.448 N/A MET 328.A N PHE 325.A O no hydrogen 2.852 N/A TRP 329.A N GLN 326.A O no hydrogen 3.476 N/A TRP 329.A NE1 GLN 326.A OE1 no hydrogen 2.711 N/A ILE 330.A N MET 105.A O no hydrogen 3.021 N/A THR 331.A N GLU 334.A OE1 no hydrogen 3.106 N/A THR 331.A OG1 GLU 334.A OE1 no hydrogen 3.180 N/A LYS 332.A N PRO 103.A O no hydrogen 2.730 N/A LYS 332.A NZ PHE 97.A O no hydrogen 3.567 N/A GLU 334.A N THR 331.A OG1 no hydrogen 3.204 N/A TYR 335.A N THR 331.A O no hydrogen 3.047 N/A TYR 335.A OH GLU 98.A OE2 no hydrogen 2.586 N/A ASP 336.A N LYS 332.A O no hydrogen 2.911 N/A GLU 337.A N GLN 333.A O no hydrogen 2.752 N/A ALA 338.A N GLU 334.A O no hydrogen 2.557 N/A ILE 342.A N GLY 339.A O no hydrogen 3.012 N/A VAL 343.A N PRO 340.A O no hydrogen 3.318 N/A ARG 345.A N ILE 342.A O no hydrogen 3.378 N/A