Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nyi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A N PRO 81.A O no hydrogen 3.061 N/A LYS 2.A NZ ASP 20.A OD2 no hydrogen 2.913 N/A VAL 4.A N VAL 83.A O no hydrogen 2.740 N/A SER 5.A N THR 22.A O no hydrogen 2.928 N/A SER 5.A OG ASP 6.A O no hydrogen 2.929 N/A SER 5.A OG PHE 85.A O no hydrogen 3.415 N/A ASP 6.A N PHE 85.A O no hydrogen 3.158 N/A SER 7.A OG ASP 38.A OD2 no hydrogen 2.798 N/A ALA 8.A N ASP 6.A OD1 no hydrogen 3.149 N/A CYS 9.A N ASP 6.A O no hydrogen 3.454 N/A CYS 9.A SG SER 5.A OG no hydrogen 3.621 N/A CYS 9.A SG ASP 6.A O no hydrogen 3.699 N/A TYR 15.A N SER 12.A OG no hydrogen 2.905 N/A TYR 15.A OH ASP 131.A OD1 no hydrogen 2.564 N/A LEU 16.A N SER 12.A O no hydrogen 3.070 N/A GLU 17.A N LYS 13.A O no hydrogen 3.180 N/A LYS 18.A N GLU 14.A O no hydrogen 2.950 N/A LYS 18.A NZ GLU 256.A OE1 no hydrogen 3.029 N/A HIS 19.A N TYR 15.A O no hydrogen 2.943 N/A HIS 19.A ND1 GLU 137.A OE2 no hydrogen 3.076 N/A HIS 19.A NE2 GLU 256.A OE1 no hydrogen 3.128 N/A VAL 21.A N LEU 16.A O no hydrogen 3.106 N/A THR 22.A N ILE 3.A O no hydrogen 2.986 N/A VAL 24.A N SER 5.A O no hydrogen 2.747 N/A LEU 26.A N SER 7.A OG no hydrogen 2.875 N/A SER 27.A N SER 61.A O no hydrogen 3.018 N/A VAL 28.A N TYR 36.A O no hydrogen 2.899 N/A SER 29.A N LYS 59.A O no hydrogen 2.804 N/A SER 29.A OG THR 34.A O no hydrogen 2.695 N/A GLY 32.A N SER 29.A OG no hydrogen 2.756 N/A GLU 33.A N ASP 31.A OD1 no hydrogen 2.659 N/A THR 34.A N ASP 31.A OD1 no hydrogen 2.882 N/A TYR 36.A N VAL 28.A O no hydrogen 2.818 N/A ARG 37.A N ASP 41.A OD2 no hydrogen 2.966 N/A ARG 37.A NE ASP 41.A OD2 no hydrogen 2.857 N/A ARG 37.A NH2 ASP 41.A OD1 no hydrogen 3.061 N/A ASP 38.A N LEU 26.A O no hydrogen 2.719 N/A VAL 40.A N ARG 37.A O no hydrogen 2.963 N/A ASP 41.A N ARG 37.A O no hydrogen 2.816 N/A THR 43.A N GLU 46.A OE1 no hydrogen 2.887 N/A THR 43.A OG1 GLU 46.A OE1 no hydrogen 3.219 N/A ARG 44.A NE ILE 261.A O no hydrogen 2.853 N/A ARG 44.A NH1 ASP 45.A OD1 no hydrogen 3.079 N/A ARG 44.A NH1 GLY 233.A O no hydrogen 3.537 N/A ARG 44.A NH2 GLY 233.A O no hydrogen 2.843 N/A ARG 44.A NH2 ILE 261.A O no hydrogen 3.216 N/A GLU 46.A N THR 43.A OG1 no hydrogen 3.170 N/A CYS 47.A N THR 43.A O no hydrogen 3.184 N/A TYR 48.A N ARG 44.A O no hydrogen 3.197 N/A TYR 48.A OH ILE 261.A O no hydrogen 2.663 N/A GLN 49.A N ASP 45.A O no hydrogen 3.083 N/A ARG 50.A N GLU 46.A O no hydrogen 3.040 N/A ASP 52.A N GLN 49.A O no hydrogen 2.754 N/A LYS 55.A N ASP 53.A OD1 no hydrogen 3.070 N/A LEU 56.A N ASP 53.A O no hydrogen 2.914 N/A LYS 59.A N SER 29.A O no hydrogen 2.824 N/A THR 60.A OG1 HIS 268.A NE2 no hydrogen 2.884 N/A SER 61.A N SER 27.A O no hydrogen 2.870 N/A SER 64.A OG SER 67.A OG no hydrogen 2.886 N/A SER 67.A N SER 64.A OG no hydrogen 3.000 N/A SER 67.A OG SER 64.A OG no hydrogen 2.886 N/A TYR 68.A N SER 64.A O no hydrogen 3.446 N/A TYR 68.A OH SER 94.A OG no hydrogen 2.581 N/A ALA 69.A N VAL 65.A O no hydrogen 2.922 N/A ASP 70.A N GLU 66.A O no hydrogen 2.907 N/A PHE 72.A N TYR 68.A O no hydrogen 2.863 N/A ARG 73.A N ALA 69.A O no hydrogen 2.794 N/A ARG 73.A NH1.A ASP 70.A OD1 no hydrogen 2.808 N/A SER 74.A N ASP 70.A O no hydrogen 3.166 N/A SER 74.A OG ASP 70.A O no hydrogen 3.539 N/A SER 74.A OG VAL 71.A O no hydrogen 3.060 N/A PHE 75.A N VAL 71.A O no hydrogen 3.285 N/A VAL 76.A N PHE 72.A O no hydrogen 2.924 N/A GLU 77.A N ARG 73.A O no hydrogen 2.977 N/A GLN 78.A N PHE 75.A O no hydrogen 2.964 N/A GLN 78.A NE2 SER 74.A O no hydrogen 2.940 N/A GLY 79.A N VAL 76.A O no hydrogen 2.902 N/A PHE 80.A N PHE 75.A O no hydrogen 3.197 N/A VAL 82.A N ASN 113.A O no hydrogen 2.701 N/A VAL 83.A N LYS 2.A O no hydrogen 3.069 N/A CYS 84.A N CYS 115.A O no hydrogen 2.785 N/A PHE 85.A N VAL 4.A O no hydrogen 2.729 N/A THR 86.A N ILE 117.A O no hydrogen 3.013 N/A THR 86.A OG1 ILE 87.A O no hydrogen 3.071 N/A ILE 87.A N ASP 6.A OD2 no hydrogen 2.840 N/A THR 88.A N GLN 121.A O no hydrogen 2.905 N/A THR 88.A OG1 GLY 192.A O no hydrogen 2.754 N/A THR 89.A N ASP 118.A OD1 no hydrogen 3.137 N/A THR 89.A OG1 ASP 118.A OD2 no hydrogen 2.998 N/A LEU 90.A N THR 88.A OG1 no hydrogen 3.135 N/A PHE 91.A N THR 88.A O no hydrogen 3.023 N/A SER 94.A N SER 92.A OG no hydrogen 3.008 N/A SER 94.A OG ASP 6.A OD2 no hydrogen 2.768 N/A SER 94.A OG TYR 68.A OH no hydrogen 2.581 N/A SER 97.A N GLY 93.A O no hydrogen 3.037 N/A SER 97.A OG PRO 63.A O no hydrogen 3.120 N/A SER 97.A OG GLY 93.A O no hydrogen 3.498 N/A ALA 98.A N SER 94.A O no hydrogen 3.088 N/A ILE 99.A N TYR 95.A O no hydrogen 2.946 N/A ASN 100.A N ASN 96.A O no hydrogen 3.035 N/A ALA 101.A N SER 97.A O no hydrogen 2.872 N/A LYS 102.A N ALA 98.A O no hydrogen 2.857 N/A LYS 102.A NZ ILE 114.A O no hydrogen 2.794 N/A SER 103.A N ILE 99.A O no hydrogen 3.140 N/A SER 103.A OG ILE 99.A O no hydrogen 3.531 N/A LEU 104.A N ASN 100.A O no hydrogen 3.004 N/A VAL 105.A N ALA 101.A O no hydrogen 3.026 N/A LEU 106.A N LYS 102.A O no hydrogen 3.037 N/A GLU 107.A N SER 103.A O no hydrogen 3.449 N/A TYR 109.A N VAL 105.A O no hydrogen 2.801 N/A CYS 115.A N VAL 82.A O no hydrogen 2.806 N/A ILE 117.A N CYS 84.A O no hydrogen 2.694 N/A SER 119.A N THR 86.A O no hydrogen 3.115 N/A SER 119.A OG THR 86.A O no hydrogen 2.730 N/A LYS 120.A N ASP 118.A OD1 no hydrogen 3.141 N/A GLN 121.A N SER 119.A OG no hydrogen 2.888 N/A GLN 121.A NE2 SER 119.A O no hydrogen 3.052 N/A ASN 122.A ND2 SER 265.A OG no hydrogen 2.885 N/A THR 123.A OG1 ASP 10.A OD2 no hydrogen 2.721 N/A THR 125.A N ASN 122.A O no hydrogen 3.045 N/A THR 125.A OG1 GLN 121.A OE1 no hydrogen 3.374 N/A THR 125.A OG1 ASN 122.A O no hydrogen 3.136 N/A GLN 126.A N ASN 122.A O no hydrogen 3.184 N/A GLN 126.A NE2 SER 5.A OG no hydrogen 3.011 N/A GLN 126.A NE2 ASP 6.A OD1 no hydrogen 3.011 N/A ALA 127.A N THR 123.A O no hydrogen 2.838 N/A LEU 128.A N VAL 124.A O no hydrogen 2.820 N/A LEU 129.A N THR 125.A O no hydrogen 2.994 N/A ILE 130.A N GLN 126.A O no hydrogen 3.021 N/A ASP 131.A N ALA 127.A O no hydrogen 2.885 N/A GLN 132.A N LEU 128.A O no hydrogen 2.918 N/A PHE 133.A N LEU 129.A O no hydrogen 3.047 N/A VAL 134.A N ILE 130.A O no hydrogen 2.773 N/A ARG 135.A N ASP 131.A O no hydrogen 2.827 N/A ARG 135.A NE ASP 131.A OD2 no hydrogen 2.780 N/A ARG 135.A NH2 ASP 131.A OD2 no hydrogen 3.360 N/A ARG 135.A NH2 ASP 254.A OD1 no hydrogen 2.691 N/A GLU 137.A N VAL 134.A O no hydrogen 2.984 N/A ASP 138.A N ARG 135.A O no hydrogen 2.775 N/A GLY 139.A N LEU 136.A O no hydrogen 3.097 N/A SER 141.A N GLN 144.A OE1 no hydrogen 2.774 N/A GLN 144.A N SER 141.A OG no hydrogen 3.018 N/A ALA 145.A N SER 141.A O no hydrogen 3.032 N/A SER 146.A OG GLN 144.A O no hydrogen 2.787 N/A LYS 147.A N ALA 145.A O no hydrogen 3.000 N/A LEU 151.A N LYS 147.A O no hydrogen 3.069 N/A SER 153.A N ALA 150.A O no hydrogen 3.095 N/A SER 153.A N LEU 151.A O no hydrogen 3.158 N/A SER 153.A OG LEU 151.A O no hydrogen 2.858 N/A ARG 155.A N VAL 278.A O no hydrogen 3.066 N/A ARG 155.A NH1 ALA 152.A O no hydrogen 2.809 N/A ARG 155.A NH1 ALA 154.A O no hydrogen 2.939 N/A PHE 157.A N LEU 276.A O no hydrogen 2.833 N/A PHE 158.A N ILE 188.A O no hydrogen 3.028 N/A THR 159.A N ILE 274.A O no hydrogen 2.989 N/A THR 159.A OG1 PRO 186.A O no hydrogen 2.835 N/A LYS 167.A N LEU 163.A O no hydrogen 3.007 N/A GLY 169.A N LYS 167.A O no hydrogen 3.159 N/A ARG 170.A NE PHE 91.A O no hydrogen 2.819 N/A ARG 170.A NH1 GLY 168.A O no hydrogen 2.765 N/A ARG 170.A NH2 PHE 91.A O no hydrogen 2.972 N/A VAL 174.A N ILE 171.A O no hydrogen 3.055 N/A ALA 175.A N GLY 172.A O no hydrogen 3.112 N/A THR 176.A N THR 179.A OG1 no hydrogen 3.007 N/A THR 179.A OG1 VAL 174.A O no hydrogen 2.766 N/A THR 179.A OG1 THR 176.A O no hydrogen 3.378 N/A GLY 180.A N THR 176.A O no hydrogen 3.119 N/A GLY 180.A N ALA 177.A O no hydrogen 3.225 N/A LYS 181.A N ALA 178.A O no hydrogen 3.485 N/A VAL 184.A N LYS 181.A O no hydrogen 3.279 N/A LYS 185.A N GLY 200.A O no hydrogen 2.801 N/A LYS 185.A NZ GLY 183.A O no hydrogen 3.014 N/A LYS 185.A NZ ARG 201.A O no hydrogen 2.831 N/A VAL 187.A N GLY 198.A O no hydrogen 2.832 N/A ILE 188.A N PHE 158.A O no hydrogen 2.765 N/A ILE 189.A N GLY 195.A O no hydrogen 2.904 N/A ASP 193.A N LYS 190.A O no hydrogen 3.251 N/A ILE 194.A N ASP 193.A OD1 no hydrogen 2.691 N/A GLY 195.A N ILE 189.A O no hydrogen 2.891 N/A GLY 197.A N VAL 187.A O no hydrogen 2.703 N/A GLY 200.A N LYS 185.A O no hydrogen 2.995 N/A ARG 201.A NH1 LEU 182.A O no hydrogen 2.716 N/A ARG 203.A NE GLU 238.A OE2 no hydrogen 2.813 N/A ARG 203.A NH1 TYR 272.A O no hydrogen 2.820 N/A ARG 203.A NH2 GLU 238.A OE1 no hydrogen 2.941 N/A ARG 203.A NH2 GLU 238.A OE2 no hydrogen 3.488 N/A ARG 203.A NH2 TYR 272.A O no hydrogen 2.989 N/A LYS 205.A N ASN 202.A OD1 no hydrogen 2.941 N/A LEU 206.A N ASN 202.A O no hydrogen 2.827 N/A LYS 207.A N ARG 203.A O no hydrogen 2.985 N/A LYS 207.A NZ ASN 204.A OD1 no hydrogen 3.290 N/A LYS 207.A NZ GLU 238.A OE2 no hydrogen 2.922 N/A ASN 208.A N ASN 204.A O no hydrogen 3.053 N/A SER 209.A N LYS 205.A O no hydrogen 2.928 N/A SER 209.A OG LYS 205.A O no hydrogen 3.153 N/A VAL 210.A N LEU 206.A O no hydrogen 2.908 N/A LEU 211.A N LYS 207.A O no hydrogen 3.164 N/A GLN 212.A N ASN 208.A O no hydrogen 3.028 N/A VAL 213.A N SER 209.A O no hydrogen 2.943 N/A ALA 214.A N VAL 210.A O no hydrogen 3.026 N/A LYS 215.A N LEU 211.A O no hydrogen 2.869 N/A LYS 215.A NZ ASP 219.A OD2 no hydrogen 2.915 N/A LYS 216.A N GLN 212.A O no hydrogen 3.139 N/A LYS 216.A NZ GLU 220.A OE2 no hydrogen 3.375 N/A TYR 217.A N VAL 213.A O no hydrogen 3.320 N/A TYR 217.A OH SER 153.A O no hydrogen 2.671 N/A LEU 218.A N ALA 214.A O no hydrogen 2.874 N/A ASP 219.A N LYS 215.A O no hydrogen 2.808 N/A GLU 220.A N LYS 216.A O no hydrogen 3.047 N/A ASN 221.A N TYR 217.A O no hydrogen 3.138 N/A ASN 221.A N LEU 218.A O no hydrogen 3.183 N/A ASN 222.A N LEU 218.A O no hydrogen 2.894 N/A LYS 223.A NZ ASP 250.A O no hydrogen 2.975 N/A ASN 225.A N ASN 222.A O no hydrogen 2.918 N/A PHE 226.A N LYS 223.A O no hydrogen 3.179 N/A ILE 227.A N ILE 279.A O no hydrogen 2.805 N/A SER 229.A N GLY 277.A O no hydrogen 3.000 N/A SER 229.A OG ASP 254.A O no hydrogen 2.809 N/A SER 229.A OG THR 257.A OG1 no hydrogen 2.671 N/A VAL 230.A N ASN 258.A OD1 no hydrogen 2.906 N/A GLY 231.A N GLY 275.A O no hydrogen 2.997 N/A TYR 232.A N VAL 259.A O no hydrogen 3.197 N/A TYR 234.A N PRO 271.A O no hydrogen 3.005 N/A LYS 236.A NZ ASP 45.A OD2 no hydrogen 3.247 N/A GLU 238.A N ASP 235.A OD1 no hydrogen 3.008 N/A GLY 239.A N ASP 235.A O no hydrogen 3.182 N/A PHE 240.A N LYS 236.A O no hydrogen 2.927 N/A GLU 241.A N GLU 237.A O no hydrogen 2.992 N/A PHE 242.A N GLU 238.A O no hydrogen 2.693 N/A GLU 244.A N GLU 241.A O no hydrogen 3.193 N/A VAL 245.A N PHE 242.A O no hydrogen 2.859 N/A SER 247.A N LYS 243.A O no hydrogen 2.999 N/A THR 248.A N GLU 244.A O no hydrogen 2.794 N/A THR 248.A OG1 GLU 244.A O no hydrogen 2.839 N/A LEU 249.A N VAL 245.A O no hydrogen 2.882 N/A VAL 251.A N GLU 246.A O no hydrogen 3.210 N/A LYS 252.A NZ GLU 246.A OE1 no hydrogen 3.435 N/A LEU 253.A N GLU 246.A OE2 no hydrogen 3.133 N/A ASP 254.A N VAL 228.A O no hydrogen 2.848 N/A THR 257.A N ASP 254.A O no hydrogen 3.239 N/A THR 257.A OG1 SER 229.A OG no hydrogen 2.671 N/A THR 257.A OG1 ASP 254.A O no hydrogen 3.330 N/A ASN 258.A N SER 255.A O no hydrogen 3.222 N/A VAL 259.A N VAL 230.A O no hydrogen 2.865 N/A ILE 261.A N TYR 232.A O no hydrogen 2.838 N/A GLY 262.A N ASP 10.A OD2 no hydrogen 2.773 N/A ALA 266.A N GLY 262.A O no hydrogen 2.916 N/A VAL 267.A N ILE 263.A O no hydrogen 2.984 N/A HIS 268.A N SER 265.A O no hydrogen 2.874 N/A HIS 268.A NE2 THR 60.A OG1 no hydrogen 2.884 N/A THR 269.A N SER 265.A O no hydrogen 2.785 N/A THR 269.A OG1 SER 265.A O no hydrogen 3.314 N/A THR 269.A OG1 GLY 270.A O no hydrogen 2.728 N/A GLY 270.A N ALA 266.A O no hydrogen 2.853 N/A ILE 274.A N THR 159.A O no hydrogen 3.086 N/A GLY 275.A N GLY 231.A O no hydrogen 3.121 N/A LEU 276.A N PHE 157.A O no hydrogen 2.903 N/A GLY 277.A N SER 229.A O no hydrogen 2.817 N/A VAL 278.A N ARG 155.A O no hydrogen 2.933 N/A ILE 279.A N ILE 227.A O no hydrogen 3.146 N/A ARG 280.A N SER 153.A OG no hydrogen 2.968 N/A ARG 280.A NE THR 284.A OG1 no hydrogen 2.950 N/A ARG 280.A NH2 THR 284.A OG1 no hydrogen 2.972 N/A LYS 281.A N ASN 225.A O no hydrogen 2.874 N/A LYS 281.A NZ ASP 224.A O no hydrogen 2.867 N/A TYR 282.A N GLN 132.A OE1 no hydrogen 2.792 N/A TYR 282.A OH ASP 138.A OD2 no hydrogen 2.623 N/A GLU 283.A N GLU 283.A OE1 no hydrogen 2.733 N/A THR 284.A N LYS 281.A O no hydrogen 2.932 N/A THR 284.A OG1 LYS 281.A O no hydrogen 2.671 N/A LEU 285.A N TYR 282.A O no hydrogen 3.064 N/A