Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nct_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 4.A ND2 ASP 8.A OD1 no hydrogen 3.054 N/A ASN 4.A ND2 ARG 98.A O no hydrogen 2.911 N/A GLY 6.A N TYR 3.A O no hydrogen 2.703 N/A TYR 7.A N ASN 4.A O no hydrogen 3.184 N/A ASP 8.A N TYR 3.A O no hydrogen 3.389 N/A ASP 9.A N ASP 13.A O no hydrogen 3.015 N/A ASN 11.A N ASP 9.A OD1 no hydrogen 2.551 N/A TYR 12.A N ASP 9.A O no hydrogen 3.266 N/A ASP 13.A N ASP 9.A OD1 no hydrogen 3.472 N/A TYR 14.A OH GLU 20.A OE1 no hydrogen 2.672 N/A TYR 14.A OH GLU 20.A OE2 no hydrogen 3.058 N/A ILE 15.A N TYR 7.A O no hydrogen 2.818 N/A GLY 19.A N ILE 28.A O no hydrogen 2.588 N/A GLU 20.A N LYS 17.A O no hydrogen 3.282 N/A TRP 22.A N TYR 26.A O no hydrogen 2.739 N/A TRP 22.A NE1 GLU 20.A OE1 no hydrogen 2.982 N/A ARG 25.A N TRP 22.A O no hydrogen 2.748 N/A ARG 25.A NE ASP 45.A OD1 no hydrogen 2.882 N/A ARG 25.A NE ASP 45.A OD2 no hydrogen 3.351 N/A ARG 25.A NH2 ASP 45.A OD1 no hydrogen 3.544 N/A ARG 25.A NH2 ASP 45.A OD2 no hydrogen 2.802 N/A TYR 26.A N TRP 22.A O no hydrogen 3.008 N/A GLU 27.A N TYR 44.A O no hydrogen 2.891 N/A ILE 28.A N GLU 20.A O no hydrogen 2.801 N/A ASP 29.A N LYS 42.A O no hydrogen 2.792 N/A SER 30.A N LYS 42.A O no hydrogen 3.429 N/A SER 30.A OG ASP 29.A OD2 no hydrogen 2.635 N/A ILE 32.A N VAL 40.A O no hydrogen 3.053 N/A GLY 33.A N VAL 40.A O no hydrogen 3.211 N/A GLY 35.A N GLY 38.A O no hydrogen 3.167 N/A GLY 38.A N GLY 35.A O no hydrogen 3.180 N/A GLN 39.A N ILE 56.A O no hydrogen 2.946 N/A GLN 39.A NE2 TYR 14.A O no hydrogen 2.803 N/A VAL 40.A N GLY 33.A O no hydrogen 2.898 N/A VAL 41.A N ILE 54.A O no hydrogen 2.938 N/A LYS 42.A N SER 30.A O no hydrogen 2.798 N/A ALA 43.A N VAL 52.A O no hydrogen 3.068 N/A TYR 44.A N GLU 27.A O no hydrogen 2.892 N/A TYR 44.A OH GLN 49.A OE1 no hydrogen 2.708 N/A ASP 45.A N GLU 50.A O no hydrogen 2.912 N/A ARG 46.A N ARG 25.A O no hydrogen 2.842 N/A ARG 46.A NH1 ASP 24.A O no hydrogen 2.650 N/A VAL 47.A N ASP 45.A OD1 no hydrogen 2.940 N/A GLU 48.A N ASP 45.A OD1 no hydrogen 3.180 N/A GLU 50.A N ASP 45.A O no hydrogen 3.307 N/A VAL 52.A N ALA 43.A O no hydrogen 2.925 N/A ALA 53.A N PHE 105.A O no hydrogen 3.050 N/A ILE 54.A N VAL 41.A O no hydrogen 2.951 N/A LYS 55.A N LEU 103.A O no hydrogen 2.870 N/A LYS 55.A NZ GLU 70.A OE1 no hydrogen 2.724 N/A LYS 55.A NZ GLU 70.A OE2 no hydrogen 3.048 N/A ILE 56.A N GLN 39.A O no hydrogen 2.579 N/A ILE 57.A N LEU 101.A O no hydrogen 2.906 N/A LYS 58.A N PHE 37.A O no hydrogen 2.976 N/A LYS 58.A NZ SER 36.A O no hydrogen 2.853 N/A ASN 59.A N TYR 12.A O no hydrogen 2.784 N/A ASN 59.A ND2 ASP 8.A OD2 no hydrogen 3.264 N/A LYS 60.A N LYS 58.A O no hydrogen 2.915 N/A LEU 64.A N LYS 60.A O no hydrogen 2.848 N/A ASN 65.A N LYS 61.A O no hydrogen 2.855 N/A GLN 66.A N ALA 62.A O no hydrogen 3.206 N/A ALA 67.A N PHE 63.A O no hydrogen 2.934 N/A GLN 68.A N LEU 64.A O no hydrogen 2.967 N/A ILE 69.A N ASN 65.A O no hydrogen 3.219 N/A GLU 70.A N GLN 66.A O no hydrogen 3.077 N/A VAL 71.A N ALA 67.A O no hydrogen 2.956 N/A ARG 72.A N GLN 68.A O no hydrogen 3.331 N/A LEU 73.A N ILE 69.A O no hydrogen 3.120 N/A LEU 74.A N GLU 70.A O no hydrogen 3.000 N/A GLU 75.A N VAL 71.A O no hydrogen 2.882 N/A LEU 76.A N ARG 72.A O no hydrogen 2.984 N/A MET 77.A N LEU 73.A O no hydrogen 3.139 N/A ASN 78.A N LEU 74.A O no hydrogen 3.065 N/A LYS 79.A N GLU 75.A O no hydrogen 3.183 N/A HIS 80.A N LEU 76.A O no hydrogen 3.238 N/A MET 84.A N THR 82.A OG1 no hydrogen 2.988 N/A LYS 85.A NZ ASN 78.A O no hydrogen 3.207 N/A LYS 85.A NZ HIS 80.A O no hydrogen 3.053 N/A TYR 86.A N GLU 83.A O no hydrogen 3.521 N/A ILE 88.A N LYS 85.A O no hydrogen 3.397 N/A VAL 89.A N ILE 171.A O no hydrogen 2.900 N/A HIS 90.A N GLU 106.A OE2 no hydrogen 3.001 N/A HIS 90.A ND1 ASN 78.A OD1 no hydrogen 3.177 N/A LYS 92.A N VAL 104.A O no hydrogen 2.725 N/A LYS 92.A NZ GLU 50.A OE2 no hydrogen 2.811 N/A ARG 93.A NE TYR 26.A OH no hydrogen 2.679 N/A PHE 95.A N CYS 102.A O no hydrogen 3.005 N/A PHE 97.A N HIS 100.A O no hydrogen 2.835 N/A ARG 98.A NH1 TYR 14.A OH no hydrogen 3.029 N/A ARG 98.A NH1 GLU 20.A OE2 no hydrogen 3.421 N/A ASN 99.A ND2 ASN 4.A OD1 no hydrogen 2.857 N/A HIS 100.A N PHE 97.A O no hydrogen 2.887 N/A HIS 100.A ND1 ILE 57.A O no hydrogen 2.722 N/A HIS 100.A NE2 ASP 8.A OD1 no hydrogen 2.615 N/A CYS 102.A N PHE 95.A O no hydrogen 2.817 N/A CYS 102.A SG HIS 100.A O no hydrogen 3.803 N/A LEU 103.A N LYS 55.A O no hydrogen 2.985 N/A VAL 104.A N ARG 93.A O no hydrogen 2.864 N/A PHE 105.A N ALA 53.A O no hydrogen 2.863 N/A GLU 106.A N HIS 90.A O no hydrogen 3.235 N/A SER 109.A N LEU 162.A O no hydrogen 2.905 N/A ASN 111.A N ASP 114.A OD2 no hydrogen 3.131 N/A LEU 112.A N PRO 157.A O no hydrogen 3.208 N/A LEU 112.A N ILE 160.A O no hydrogen 2.953 N/A ASP 114.A N ASN 111.A OD1 no hydrogen 2.746 N/A LEU 115.A N ASN 111.A O no hydrogen 3.146 N/A LEU 116.A N LEU 112.A O no hydrogen 3.157 N/A ARG 117.A N TYR 113.A O no hydrogen 2.826 N/A ARG 117.A NH2 ASP 114.A OD1 no hydrogen 2.969 N/A ASN 118.A N ASP 114.A O no hydrogen 2.845 N/A THR 119.A N LEU 115.A O no hydrogen 3.097 N/A THR 119.A N LEU 116.A O no hydrogen 3.122 N/A THR 119.A OG1 LEU 116.A O no hydrogen 2.959 N/A ASN 120.A N ARG 117.A O no hydrogen 3.254 N/A PHE 121.A N LEU 116.A O no hydrogen 2.935 N/A ARG 122.A N THR 119.A O no hydrogen 3.126 N/A GLY 123.A N THR 119.A OG1 no hydrogen 3.011 N/A VAL 124.A N MET 219.A O no hydrogen 2.909 N/A LEU 126.A N HIS 304.A NE2 no hydrogen 3.254 N/A LEU 128.A N SER 125.A OG no hydrogen 3.102 N/A THR 129.A N SER 125.A O no hydrogen 2.919 N/A THR 129.A OG1 SER 125.A O no hydrogen 2.795 N/A ARG 130.A N LEU 126.A O no hydrogen 2.913 N/A ARG 130.A NE PHE 338.A O no hydrogen 2.878 N/A LYS 131.A N ASN 127.A O no hydrogen 3.353 N/A PHE 132.A N LEU 128.A O no hydrogen 3.067 N/A ALA 133.A N THR 129.A O no hydrogen 2.808 N/A GLN 134.A N ARG 130.A O no hydrogen 2.821 N/A GLN 135.A N LYS 131.A O no hydrogen 3.064 N/A GLN 135.A NE2 LYS 131.A O no hydrogen 3.153 N/A MET 136.A N PHE 132.A O no hydrogen 2.847 N/A CYS 137.A N ALA 133.A O no hydrogen 2.838 N/A CYS 137.A SG ALA 133.A O no hydrogen 3.378 N/A THR 138.A N GLN 134.A O no hydrogen 3.105 N/A THR 138.A OG1 GLN 134.A O no hydrogen 2.766 N/A ALA 139.A N GLN 135.A O no hydrogen 2.958 N/A LEU 140.A N MET 136.A O no hydrogen 3.033 N/A LEU 141.A N CYS 137.A O no hydrogen 2.968 N/A PHE 142.A N THR 138.A O no hydrogen 3.010 N/A LEU 143.A N ALA 139.A O no hydrogen 2.949 N/A ALA 144.A N LEU 140.A O no hydrogen 3.038 N/A THR 145.A N PHE 142.A O no hydrogen 3.123 N/A THR 145.A OG1 PHE 142.A O no hydrogen 2.487 N/A GLU 147.A N GLU 147.A OE2 no hydrogen 2.768 N/A LEU 148.A N THR 145.A O no hydrogen 2.769 N/A SER 149.A N THR 145.A O no hydrogen 2.748 N/A SER 149.A OG THR 145.A O no hydrogen 3.388 N/A SER 149.A OG PRO 146.A O no hydrogen 2.639 N/A ILE 150.A N LEU 143.A O no hydrogen 3.070 N/A ILE 151.A N CYS 178.A O no hydrogen 3.268 N/A HIS 152.A N ASP 208.A OD2 no hydrogen 2.762 N/A HIS 152.A NE2 VAL 172.A O no hydrogen 3.257 N/A CYS 153.A N ASP 208.A OD1 no hydrogen 3.150 N/A ASP 154.A N HIS 152.A ND1 no hydrogen 3.278 N/A LYS 156.A NZ ASP 154.A OD2 no hydrogen 3.555 N/A LYS 156.A NZ SER 189.A OG no hydrogen 3.267 N/A GLU 158.A N GLU 158.A OE1 no hydrogen 2.913 N/A ASN 159.A N LYS 156.A O no hydrogen 2.756 N/A ASN 159.A ND2 ASP 154.A O no hydrogen 3.087 N/A ILE 160.A N PRO 157.A O no hydrogen 3.140 N/A LEU 161.A N LYS 170.A O no hydrogen 2.911 N/A LEU 162.A N TYR 110.A O no hydrogen 2.754 N/A CYS 163.A N ALA 168.A O no hydrogen 3.120 N/A ILE 169.A N GLN 135.A OE1 no hydrogen 3.209 N/A LYS 170.A N LEU 161.A O no hydrogen 2.926 N/A LYS 170.A NZ GLU 106.A OE1 no hydrogen 3.543 N/A LYS 170.A NZ GLU 106.A OE2 no hydrogen 2.879 N/A ILE 171.A N TYR 87.A O no hydrogen 2.839 N/A VAL 172.A N ASN 159.A O no hydrogen 3.050 N/A GLY 175.A N ASP 173.A OD1 no hydrogen 3.260 N/A SER 177.A OG HIS 152.A O no hydrogen 3.167 N/A GLN 179.A NE2 LEU 148.A O no hydrogen 2.986 N/A ARG 183.A NH1 GLY 200.A O no hydrogen 2.860 N/A GLN 188.A NE2 ILE 207.A O no hydrogen 3.140 N/A SER 189.A OG ASP 154.A OD1 no hydrogen 2.782 N/A ARG 190.A NH1 GLY 228.A O no hydrogen 2.905 N/A TYR 192.A N SER 189.A O no hydrogen 2.976 N/A TYR 192.A OH GLU 218.A OE2 no hydrogen 2.515 N/A ARG 193.A N ARG 190.A O no hydrogen 3.055 N/A ARG 193.A NE ILE 187.A O no hydrogen 2.948 N/A ARG 193.A NE GLN 188.A O no hydrogen 3.466 N/A ARG 193.A NH1 GLU 231.A OE2 no hydrogen 2.932 N/A ARG 193.A NH2 GLN 188.A O no hydrogen 2.813 N/A SER 194.A N GLN 188.A OE1 no hydrogen 2.850 N/A SER 194.A OG GLN 188.A OE1 no hydrogen 3.056 N/A GLU 196.A N GLU 196.A OE1 no hydrogen 2.775 N/A LEU 198.A N SER 194.A O no hydrogen 3.170 N/A LEU 199.A N PRO 195.A O no hydrogen 2.941 N/A GLY 200.A N VAL 197.A O no hydrogen 3.243 N/A MET 201.A N GLU 196.A O no hydrogen 2.763 N/A TYR 203.A OH TYR 185.A O no hydrogen 2.815 N/A ALA 206.A N ASP 204.A OD1 no hydrogen 2.961 N/A ILE 207.A N ASP 204.A O no hydrogen 3.098 N/A ASP 208.A N LEU 205.A O no hydrogen 3.265 N/A TRP 210.A N ALA 206.A O no hydrogen 3.115 N/A SER 211.A N ILE 207.A O no hydrogen 3.191 N/A SER 211.A OG TYR 192.A O no hydrogen 2.563 N/A SER 211.A OG ILE 207.A O no hydrogen 3.544 N/A LEU 212.A N ASP 208.A O no hydrogen 2.947 N/A GLY 213.A N MET 209.A O no hydrogen 3.123 N/A CYS 214.A N TRP 210.A O no hydrogen 3.113 N/A CYS 214.A SG TRP 210.A O no hydrogen 3.696 N/A ILE 215.A N SER 211.A O no hydrogen 2.865 N/A LEU 216.A N LEU 212.A O no hydrogen 2.824 N/A VAL 217.A N GLY 213.A O no hydrogen 3.462 N/A GLU 218.A N CYS 214.A O no hydrogen 3.166 N/A MET 219.A N ILE 215.A O no hydrogen 2.864 N/A HIS 220.A N LEU 216.A O no hydrogen 3.311 N/A HIS 220.A ND1 VAL 124.A O no hydrogen 2.934 N/A HIS 220.A NE2 TYR 309.A OH no hydrogen 3.021 N/A THR 221.A N VAL 217.A O no hydrogen 3.038 N/A THR 221.A OG1 VAL 217.A O no hydrogen 2.827 N/A GLY 222.A N GLU 218.A O no hydrogen 2.857 N/A GLU 223.A N THR 221.A OG1 no hydrogen 3.355 N/A GLY 228.A N GLN 234.A OE1 no hydrogen 2.980 N/A ALA 229.A N ASP 233.A OD2 no hydrogen 2.945 N/A ASP 233.A N ASN 230.A OD1 no hydrogen 2.807 N/A GLN 234.A N ASN 230.A O no hydrogen 2.812 N/A GLN 234.A NE2 PHE 191.A O no hydrogen 3.282 N/A GLN 234.A NE2 PHE 226.A O no hydrogen 3.196 N/A MET 235.A N GLU 231.A O no hydrogen 2.881 N/A ASN 236.A N VAL 232.A O no hydrogen 3.068 N/A ASN 236.A ND2 VAL 232.A O no hydrogen 2.812 N/A LYS 237.A N ASP 233.A O no hydrogen 3.057 N/A LYS 237.A NZ SER 227.A O no hydrogen 3.105 N/A LYS 237.A NZ SER 227.A OG no hydrogen 3.273 N/A LYS 237.A NZ ASP 233.A OD2 no hydrogen 3.562 N/A ILE 238.A N GLN 234.A O no hydrogen 3.197 N/A VAL 239.A N MET 235.A O no hydrogen 2.991 N/A GLU 240.A N ASN 236.A O no hydrogen 2.797 N/A VAL 241.A N ILE 238.A O no hydrogen 3.193 N/A LEU 242.A N ILE 238.A O no hydrogen 2.848 N/A GLY 243.A N VAL 239.A O no hydrogen 2.839 N/A ILE 249.A N PRO 246.A O no hydrogen 2.963 N/A LEU 250.A N PRO 246.A O no hydrogen 3.334 N/A ASP 251.A N ALA 247.A O no hydrogen 2.892 N/A GLN 252.A N ILE 249.A O no hydrogen 3.423 N/A GLN 252.A NE2 HIS 248.A O no hydrogen 3.459 N/A ALA 253.A N LEU 250.A O no hydrogen 3.059 N/A LYS 255.A N LEU 199.A O no hydrogen 3.163 N/A ALA 256.A N ALA 253.A O no hydrogen 2.999 N/A LYS 258.A NZ GLU 231.A OE1 no hydrogen 2.773 N/A PHE 259.A N ALA 256.A O no hydrogen 3.141 N/A PHE 260.A N ALA 256.A O no hydrogen 2.798 N/A GLU 261.A N ASN 269.A O no hydrogen 2.642 N/A LYS 262.A NZ ASP 251.A OD1 no hydrogen 3.418 N/A LEU 263.A N THR 267.A O no hydrogen 2.957 N/A GLY 266.A N LEU 263.A O no hydrogen 3.012 N/A THR 267.A OG1 ASP 265.A OD1 no hydrogen 3.087 N/A TRP 268.A NE1 ASP 251.A OD1 no hydrogen 2.838 N/A ASN 269.A N GLU 261.A O no hydrogen 2.843 N/A LYS 271.A N PHE 259.A O no hydrogen 3.066 N/A LYS 271.A NZ ARG 257.A O no hydrogen 2.968 N/A GLU 274.A N GLU 274.A OE1 no hydrogen 2.627 N/A TYR 275.A OH ASP 233.A OD1 no hydrogen 2.571 N/A LYS 276.A N GLU 240.A OE2 no hydrogen 3.041 N/A GLY 279.A N VAL 239.A O no hydrogen 3.117 N/A GLY 279.A N GLU 240.A O no hydrogen 3.073 N/A THR 280.A N PRO 277.A O no hydrogen 2.962 N/A THR 280.A OG1 PRO 277.A O no hydrogen 2.756 N/A ARG 281.A N GLU 240.A O no hydrogen 3.116 N/A ARG 281.A NH1 LEU 225.A O no hydrogen 3.136 N/A HIS 284.A NE2 GLU 290.A OE1 no hydrogen 2.792 N/A ASN 285.A N LYS 282.A O no hydrogen 3.167 N/A ILE 286.A N LYS 282.A O no hydrogen 3.315 N/A LEU 287.A N LEU 283.A O no hydrogen 3.085 N/A VAL 289.A N HIS 284.A O no hydrogen 3.103 N/A GLY 293.A N GLY 288.A O no hydrogen 3.265 N/A GLY 296.A N GLY 293.A O no hydrogen 3.031 N/A ARG 297.A NH2 ARG 122.A O no hydrogen 2.806 N/A ARG 298.A N GLY 292.A O no hydrogen 2.643 N/A ALA 299.A N GLY 296.A O no hydrogen 3.420 N/A HIS 304.A ND1 SER 302.A O no hydrogen 3.072 N/A THR 305.A N ASP 308.A OD2 no hydrogen 3.291 N/A ASP 308.A N THR 305.A OG1 no hydrogen 3.163 N/A TYR 309.A N THR 305.A O no hydrogen 3.070 N/A TYR 309.A OH HIS 220.A NE2 no hydrogen 3.021 N/A LEU 310.A N VAL 306.A O no hydrogen 3.008 N/A LYS 311.A N ALA 307.A O no hydrogen 3.092 N/A PHE 312.A N ASP 308.A O no hydrogen 3.016 N/A LYS 313.A N TYR 309.A O no hydrogen 2.891 N/A LYS 313.A NZ HIS 284.A ND1 no hydrogen 3.278 N/A ASP 314.A N LEU 310.A O no hydrogen 3.009 N/A LEU 315.A N LYS 311.A O no hydrogen 3.035 N/A ILE 316.A N PHE 312.A O no hydrogen 3.215 N/A LEU 317.A N LYS 313.A O no hydrogen 2.808 N/A ARG 318.A N ASP 314.A O no hydrogen 3.178 N/A ARG 318.A NH1 THR 326.A O no hydrogen 3.066 N/A ARG 318.A NH2 THR 326.A O no hydrogen 2.882 N/A MET 319.A N LEU 315.A O no hydrogen 3.058 N/A LEU 320.A N ILE 316.A O no hydrogen 2.790 N/A LEU 320.A N LEU 317.A O no hydrogen 3.225 N/A TYR 322.A OH GLY 243.A O no hydrogen 2.715 N/A ASP 323.A N ASP 321.A OD1 no hydrogen 3.267 N/A LYS 325.A N ASP 323.A OD1 no hydrogen 3.021 N/A THR 326.A OG1 ASP 321.A OD2 no hydrogen 2.735 N/A ARG 327.A N ASP 323.A O no hydrogen 2.802 N/A ARG 327.A NE ASP 321.A O no hydrogen 3.001 N/A ARG 327.A NH1 GLU 196.A OE2 no hydrogen 2.891 N/A ARG 327.A NH2 GLU 196.A OE1 no hydrogen 2.966 N/A ARG 327.A NH2 GLU 196.A OE2 no hydrogen 3.517 N/A ARG 327.A NH2 ASP 321.A O no hydrogen 3.126 N/A ILE 328.A N ARG 318.A O no hydrogen 3.327 N/A ALA 333.A N GLN 329.A O no hydrogen 3.063 N/A LEU 334.A N PRO 330.A O no hydrogen 3.048 N/A GLN 335.A N TYR 332.A O no hydrogen 2.871 N/A GLN 335.A NE2 TYR 331.A OH no hydrogen 3.123 N/A HIS 336.A N ALA 333.A O no hydrogen 3.140 N/A