Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2nun_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N PHE 11.A O no hydrogen 3.364 N/A SER 2.A N PHE 11.A O no hydrogen 2.714 N/A ASN 4.A N THR 9.A O no hydrogen 2.891 N/A ASN 4.A ND2 ARG 64.A O no hydrogen 2.685 N/A SER 7.A N ASN 4.A OD1 no hydrogen 2.999 N/A SER 7.A OG ASN 4.A OD1 no hydrogen 3.224 N/A SER 7.A OG GLY 65.A O no hydrogen 3.207 N/A ARG 8.A N GLU 5.A O no hydrogen 3.319 N/A THR 9.A N ASN 4.A O no hydrogen 3.225 N/A PHE 11.A N SER 2.A O no hydrogen 2.996 N/A LEU 14.A N SER 63.A O no hydrogen 3.338 N/A SER 18.A OG ARG 20.A O no hydrogen 2.940 N/A SER 18.A OG GLY 266.A O no hydrogen 3.224 N/A LEU 22.A N GLU 268.A OE2 no hydrogen 3.497 N/A GLN 27.A N GLU 23.A O no hydrogen 2.933 N/A GLN 27.A NE2 LEU 22.A O no hydrogen 2.753 N/A CYS 28.A N VAL 24.A O no hydrogen 3.316 N/A CYS 28.A SG VAL 24.A O no hydrogen 3.286 N/A CYS 28.A SG ARG 45.A O no hydrogen 3.571 N/A CYS 28.A SG GLN 49.A OE1 no hydrogen 3.437 N/A LEU 29.A N ASP 26.A O no hydrogen 2.693 N/A ILE 30.A N GLN 27.A O no hydrogen 3.435 N/A GLY 31.A N GLU 255.A OE1 no hydrogen 2.935 N/A ALA 32.A N LEU 29.A O no hydrogen 3.211 N/A ASP 38.A N TRP 35.A O no hydrogen 3.027 N/A THR 41.A OG1 ASN 44.A OD1 no hydrogen 3.214 N/A ARG 45.A N THR 41.A O no hydrogen 2.990 N/A ALA 46.A N PRO 42.A O no hydrogen 3.034 N/A TYR 47.A N GLU 43.A O no hydrogen 2.758 N/A CYS 48.A N ASN 44.A O no hydrogen 3.143 N/A CYS 48.A SG ILE 30.A O no hydrogen 3.087 N/A CYS 48.A SG ASN 44.A O no hydrogen 3.397 N/A GLN 49.A N ARG 45.A O no hydrogen 3.026 N/A SER 50.A N ALA 46.A O no hydrogen 2.958 N/A MET 51.A N TYR 47.A O no hydrogen 3.014 N/A TYR 52.A N CYS 48.A O no hydrogen 2.919 N/A TYR 52.A OH GLN 21.A OE1 no hydrogen 3.207 N/A TYR 52.A OH GLU 268.A OE2 no hydrogen 2.312 N/A ASN 53.A N GLN 49.A O no hydrogen 3.096 N/A SER 54.A N SER 50.A O no hydrogen 2.945 N/A SER 54.A OG SER 50.A O no hydrogen 3.504 N/A ILE 55.A N MET 51.A O no hydrogen 2.841 N/A ARG 56.A N TYR 52.A O no hydrogen 3.190 N/A SER 57.A N ASN 53.A O no hydrogen 3.122 N/A ALA 58.A N SER 54.A O no hydrogen 2.842 N/A GLY 59.A N ILE 55.A O no hydrogen 2.906 N/A ASP 60.A N ARG 56.A O no hydrogen 2.890 N/A GLU 61.A N SER 57.A O no hydrogen 3.028 N/A ILE 62.A N ALA 58.A O no hydrogen 2.946 N/A SER 63.A N GLY 59.A O no hydrogen 3.129 N/A SER 63.A OG GLY 59.A O no hydrogen 3.495 N/A SER 63.A OG ASP 60.A O no hydrogen 2.767 N/A ARG 64.A N GLU 61.A O no hydrogen 3.032 N/A GLY 65.A N ILE 62.A O no hydrogen 2.994 N/A GLY 66.A N GLU 61.A O no hydrogen 2.745 N/A THR 68.A N GLU 72.A OE1 no hydrogen 3.213 N/A THR 68.A OG1 GLU 72.A OE1 no hydrogen 2.980 N/A GLU 72.A N SER 69.A O no hydrogen 3.249 N/A GLU 72.A N SER 69.A OG no hydrogen 3.214 N/A LEU 73.A N SER 69.A O no hydrogen 3.189 N/A TRP 74.A N PHE 70.A O no hydrogen 2.723 N/A TRP 74.A NE1 ASP 246.A OD2 no hydrogen 2.726 N/A GLY 75.A N GLU 71.A O no hydrogen 3.085 N/A ARG 76.A N GLU 72.A O no hydrogen 3.029 N/A ARG 76.A NE GLU 61.A OE1 no hydrogen 2.803 N/A ARG 76.A NH1 GLU 61.A OE1 no hydrogen 3.500 N/A ARG 76.A NH1 GLU 61.A OE2 no hydrogen 2.860 N/A ALA 77.A N LEU 73.A O no hydrogen 2.840 N/A THR 78.A N TRP 74.A O no hydrogen 2.814 N/A THR 78.A OG1 TRP 74.A O no hydrogen 2.905 N/A GLU 79.A N GLY 75.A O no hydrogen 2.955 N/A TRP 80.A N ARG 76.A O no hydrogen 3.095 N/A TRP 80.A NE1 SER 50.A OG no hydrogen 2.834 N/A ARG 81.A N ALA 77.A O no hydrogen 3.052 N/A ARG 81.A NE ARG 81.A O no hydrogen 3.326 N/A LEU 82.A N THR 78.A O no hydrogen 2.816 N/A SER 83.A N GLU 79.A O no hydrogen 3.215 N/A SER 83.A N TRP 80.A O no hydrogen 3.113 N/A SER 83.A OG TRP 80.A O no hydrogen 2.528 N/A LYS 84.A N ARG 81.A O no hydrogen 3.129 N/A LYS 84.A NZ SER 50.A OG no hydrogen 2.688 N/A LEU 85.A N LEU 82.A O no hydrogen 3.153 N/A LEU 91.A N GLU 89.A OE1 no hydrogen 2.816 N/A TYR 92.A N GLU 89.A O no hydrogen 3.315 N/A PHE 95.A N LEU 91.A O no hydrogen 3.137 N/A ALA 96.A N SER 93.A O no hydrogen 3.199 N/A SER 97.A OG SER 93.A O no hydrogen 2.618 N/A ARG 99.A N PRO 245.A O no hydrogen 2.802 N/A ARG 99.A NE MET 244.A O no hydrogen 2.792 N/A ARG 99.A NH1 THR 200.A O no hydrogen 2.884 N/A ARG 99.A NH1 ALA 243.A O no hydrogen 2.862 N/A ARG 99.A NH1 MET 244.A O no hydrogen 3.135 N/A ARG 99.A NH2 THR 200.A O no hydrogen 3.059 N/A VAL 106.A N ASP 104.A OD2 no hydrogen 2.795 N/A THR 107.A N ILE 197.A O no hydrogen 2.977 N/A THR 107.A OG1 HIS 199.A NE2 no hydrogen 2.668 N/A LEU 109.A N ASP 195.A O no hydrogen 2.733 N/A VAL 110.A N PRO 108.A O no hydrogen 2.840 N/A TYR 113.A N VAL 110.A O no hydrogen 2.591 N/A SER 115.A OG ASP 37.A OD1 no hydrogen 3.019 N/A VAL 116.A N TYR 113.A O no hydrogen 2.785 N/A LEU 117.A N LYS 114.A O no hydrogen 3.140 N/A ARG 119.A NH1 GLU 281.A OE2 no hydrogen 2.978 N/A ARG 119.A NH2 GLU 281.A OE1 no hydrogen 3.182 N/A VAL 120.A N VAL 116.A O no hydrogen 3.035 N/A VAL 121.A N LEU 117.A O no hydrogen 3.099 N/A ASP 122.A N ALA 118.A O no hydrogen 2.790 N/A HIS 123.A N VAL 120.A O no hydrogen 2.985 N/A HIS 123.A NE2 LEU 284.A O no hydrogen 2.804 N/A ASP 125.A N HIS 123.A ND1 no hydrogen 2.844 N/A ALA 126.A N HIS 123.A O no hydrogen 2.842 N/A HIS 127.A N VAL 143.A O no hydrogen 2.989 N/A HIS 127.A NE2 GLU 129.A OE2 no hydrogen 2.599 N/A GLU 129.A N VAL 141.A O no hydrogen 2.983 N/A MET 131.A N LEU 139.A O no hydrogen 2.915 N/A GLN 132.A N GLN 132.A OE1 no hydrogen 2.602 N/A ASP 133.A N GLY 137.A O no hydrogen 2.704 N/A LEU 135.A N ASP 133.A OD2 no hydrogen 3.015 N/A PHE 136.A N ASP 133.A OD2 no hydrogen 2.805 N/A LEU 139.A N MET 131.A O no hydrogen 2.883 N/A ASN 140.A N ASP 165.A OD2 no hydrogen 3.290 N/A ASN 140.A ND2 ASP 165.A OD1 no hydrogen 2.967 N/A VAL 141.A N GLU 129.A O no hydrogen 2.999 N/A LYS 142.A N VAL 162.A O no hydrogen 2.917 N/A LYS 142.A NZ ASP 128.A OD1 no hydrogen 2.952 N/A VAL 143.A N HIS 127.A O no hydrogen 3.015 N/A TYR 144.A N PHE 160.A O no hydrogen 3.066 N/A ARG 145.A NE GLU 129.A OE2 no hydrogen 3.478 N/A ARG 145.A NH2 GLU 129.A OE1 no hydrogen 3.501 N/A GLN 146.A N ASN 158.A O no hydrogen 2.809 N/A ALA 148.A N ILE 155.A O no hydrogen 2.773 N/A LEU 150.A N ASN 153.A O no hydrogen 2.763 N/A ASN 153.A N LEU 150.A O no hydrogen 2.901 N/A ILE 155.A N ALA 148.A O no hydrogen 2.869 N/A LEU 157.A N GLN 146.A O no hydrogen 2.815 N/A ASN 158.A ND2 SER 242.A O no hydrogen 2.923 N/A THR 159.A N ASP 198.A O no hydrogen 2.836 N/A PHE 160.A N TYR 144.A O no hydrogen 2.925 N/A ARG 161.A N ARG 196.A O no hydrogen 2.812 N/A VAL 162.A N LYS 142.A O no hydrogen 3.083 N/A THR 164.A N ASN 140.A O no hydrogen 2.785 N/A THR 164.A OG1 ASN 140.A O no hydrogen 2.746 N/A THR 166.A N THR 164.A O no hydrogen 2.953 N/A TYR 168.A OH PHE 136.A O no hydrogen 2.948 N/A LEU 169.A N ASP 165.A O no hydrogen 3.017 N/A ARG 170.A N THR 166.A O no hydrogen 3.068 N/A ASP 171.A N GLU 167.A O no hydrogen 3.269 N/A ARG 172.A N TYR 168.A O no hydrogen 3.001 N/A ARG 172.A NH1 LEU 135.A O no hydrogen 3.377 N/A VAL 173.A N LEU 169.A O no hydrogen 2.911 N/A ALA 174.A N ARG 170.A O no hydrogen 3.198 N/A HIS 175.A N ASP 171.A O no hydrogen 3.106 N/A HIS 175.A ND1 ASP 171.A O no hydrogen 2.904 N/A LEU 176.A N ARG 172.A O no hydrogen 2.967 N/A ARG 177.A N VAL 173.A O no hydrogen 2.639 N/A THR 178.A N HIS 175.A O no hydrogen 3.072 N/A THR 178.A OG1 ALA 174.A O no hydrogen 3.326 N/A GLU 179.A N HIS 175.A O no hydrogen 3.084 N/A GLU 179.A N LEU 176.A O no hydrogen 2.960 N/A LEU 180.A N LEU 176.A O no hydrogen 2.849 N/A LEU 185.A N GLY 181.A O no hydrogen 3.052 N/A LYS 186.A N ALA 182.A O no hydrogen 3.226 N/A GLN 187.A N LYS 183.A O no hydrogen 3.251 N/A HIS 188.A N ALA 184.A O no hydrogen 3.202 N/A LEU 189.A N LEU 185.A O no hydrogen 2.573 N/A GLN 190.A N GLN 187.A O no hydrogen 3.005 N/A GLN 190.A NE2 LYS 186.A O no hydrogen 2.751 N/A ARG 191.A N HIS 188.A O no hydrogen 3.357 N/A TYR 192.A N HIS 188.A O no hydrogen 2.771 N/A ASP 195.A N ASN 193.A OD1 no hydrogen 3.243 N/A ARG 196.A N ARG 161.A O no hydrogen 2.915 N/A ARG 196.A NE ARG 191.A O no hydrogen 2.993 N/A ILE 197.A N THR 107.A O no hydrogen 2.897 N/A ASP 198.A N THR 159.A O no hydrogen 2.734 N/A HIS 199.A N ALA 105.A O no hydrogen 2.800 N/A HIS 199.A ND1 ASN 158.A OD1 no hydrogen 2.954 N/A HIS 199.A NE2 THR 107.A OG1 no hydrogen 2.668 N/A THR 200.A N ASN 158.A OD1 no hydrogen 3.193 N/A THR 200.A OG1 SER 242.A O no hydrogen 2.737 N/A SER 203.A N ASN 201.A OD1 no hydrogen 2.994 N/A SER 203.A OG ASN 201.A OD1 no hydrogen 2.828 N/A TYR 204.A N ASN 201.A O no hydrogen 3.113 N/A LEU 205.A N ALA 202.A O no hydrogen 2.913 N/A ILE 208.A N TYR 204.A O no hydrogen 3.108 N/A LYS 209.A N LEU 205.A O no hydrogen 2.604 N/A LYS 209.A NZ GLU 98.A OE1 no hydrogen 3.074 N/A LYS 209.A NZ GLU 98.A OE2 no hydrogen 2.633 N/A ASP 210.A N PRO 206.A O no hydrogen 2.913 N/A HIS 211.A N ILE 207.A O no hydrogen 2.889 N/A LEU 212.A N ILE 208.A O no hydrogen 2.813 N/A ASN 213.A N LYS 209.A O no hydrogen 3.020 N/A ASP 214.A N ASP 210.A O no hydrogen 3.009 N/A LEU 215.A N HIS 211.A O no hydrogen 2.973 N/A TYR 216.A N LEU 212.A O no hydrogen 3.019 N/A TYR 216.A OH ILE 67.A O no hydrogen 3.006 N/A ARG 217.A N ASN 213.A O no hydrogen 2.983 N/A ARG 217.A NH2 ARG 217.A O no hydrogen 3.323 N/A GLN 218.A N ASP 214.A O no hydrogen 3.217 N/A GLN 218.A NE2 ASP 214.A O no hydrogen 3.422 N/A ALA 219.A N LEU 215.A O no hydrogen 2.738 N/A ILE 220.A N TYR 216.A O no hydrogen 3.035 N/A SER 221.A N GLN 218.A O no hydrogen 3.129 N/A SER 221.A OG GLN 218.A O no hydrogen 3.085 N/A SER 225.A N GLU 228.A OE1 no hydrogen 3.294 N/A SER 225.A OG GLU 228.A OE1 no hydrogen 3.365 N/A GLU 228.A N SER 225.A OG no hydrogen 3.208 N/A LEU 229.A N SER 225.A O no hydrogen 2.798 N/A ILE 230.A N GLN 226.A O no hydrogen 2.976 N/A SER 231.A N ALA 227.A O no hydrogen 3.293 N/A SER 231.A OG ALA 227.A O no hydrogen 2.736 N/A LEU 232.A N GLU 228.A O no hydrogen 3.250 N/A ILE 233.A N LEU 229.A O no hydrogen 3.100 N/A ALA 234.A N ILE 230.A O no hydrogen 2.977 N/A ARG 235.A N SER 231.A O no hydrogen 2.956 N/A ARG 235.A NH1 GLU 287.A OE2 no hydrogen 2.311 N/A ARG 235.A NH1 GLU 288.A OE2 no hydrogen 3.038 N/A ARG 235.A NH2 GLU 288.A OE1 no hydrogen 2.887 N/A ARG 235.A NH2 GLU 288.A OE2 no hydrogen 3.169 N/A THR 236.A N LEU 232.A O no hydrogen 2.888 N/A THR 236.A OG1 LEU 232.A O no hydrogen 2.921 N/A HIS 237.A N ILE 233.A O no hydrogen 2.947 N/A HIS 237.A ND1 TYR 294.A OH no hydrogen 2.822 N/A TRP 238.A N ALA 234.A O no hydrogen 2.763 N/A TRP 238.A NE1 SER 285.A O no hydrogen 3.019 N/A TRP 239.A N ARG 235.A O no hydrogen 2.829 N/A ALA 240.A N THR 236.A O no hydrogen 2.967 N/A ALA 241.A N HIS 237.A O no hydrogen 2.908 N/A SER 242.A N TRP 238.A O no hydrogen 2.838 N/A SER 242.A OG GLN 146.A OE1 no hydrogen 2.898 N/A SER 242.A OG TRP 238.A O no hydrogen 2.827 N/A ALA 243.A N TRP 239.A O no hydrogen 2.812 N/A MET 244.A N ALA 240.A O no hydrogen 3.103 N/A ASP 246.A N SER 250.A OG no hydrogen 3.144 N/A GLN 247.A N SER 97.A O no hydrogen 3.077 N/A GLN 247.A NE2 GLU 98.A O no hydrogen 3.194 N/A SER 250.A OG ASP 246.A O no hydrogen 3.191 N/A LYS 253.A N GLY 249.A O no hydrogen 3.191 N/A LYS 253.A NZ PHE 95.A O no hydrogen 2.659 N/A LYS 253.A NZ ASP 246.A OD2 no hydrogen 2.707 N/A LYS 253.A NZ ARG 248.A O no hydrogen 2.971 N/A ALA 254.A N SER 250.A O no hydrogen 2.848 N/A GLU 255.A N ALA 251.A O no hydrogen 3.070 N/A PHE 256.A N ALA 252.A O no hydrogen 2.900 N/A ALA 257.A N LYS 253.A O no hydrogen 2.824 N/A ALA 258.A N ALA 254.A O no hydrogen 3.053 N/A ARG 259.A N GLU 255.A O no hydrogen 3.002 N/A ARG 259.A NH1 LEU 269.A O no hydrogen 3.336 N/A ALA 260.A N PHE 256.A O no hydrogen 2.950 N/A ILE 261.A N ALA 257.A O no hydrogen 3.003 N/A ALA 262.A N ALA 258.A O no hydrogen 3.178 N/A SER 263.A N ARG 259.A O no hydrogen 2.828 N/A ALA 264.A N ALA 260.A O no hydrogen 3.006 N/A HIS 265.A N ALA 262.A O no hydrogen 2.959 N/A HIS 265.A NE2 ALA 219.A O no hydrogen 2.583 N/A GLY 266.A N SER 263.A O no hydrogen 2.956 N/A ARG 273.A N LEU 297.A O no hydrogen 2.882 N/A ARG 273.A NE SER 296.A O no hydrogen 2.968 N/A GLY 275.A N ARG 34.A O no hydrogen 2.795 N/A ASN 276.A N ARG 273.A O no hydrogen 2.799 N/A GLU 281.A N VAL 277.A O no hydrogen 2.910 N/A ALA 282.A N SER 278.A O no hydrogen 2.880 N/A MET 283.A N ASP 279.A O no hydrogen 2.752 N/A LEU 284.A N ILE 280.A O no hydrogen 3.007 N/A SER 285.A N ALA 282.A O no hydrogen 3.047 N/A SER 285.A OG GLU 281.A O no hydrogen 2.913 N/A SER 285.A OG ALA 282.A O no hydrogen 3.565 N/A PHE 290.A N GLY 286.A O no hydrogen 2.924 N/A VAL 291.A N GLU 287.A O no hydrogen 2.975 N/A GLU 292.A N GLU 288.A O no hydrogen 2.980 N/A LYS 293.A N GLU 289.A O no hydrogen 3.101 N/A TYR 294.A OH HIS 237.A ND1 no hydrogen 2.822 N/A SER 296.A OG LYS 293.A O no hydrogen 2.737 N/A LEU 297.A N LYS 293.A O no hydrogen 3.231 N/A LEU 297.A N TYR 294.A O no hydrogen 2.933 N/A LEU 298.A N ARG 295.A O no hydrogen 3.236 N/A ASP 299.A N PRO 271.A O no hydrogen 3.090 N/A