Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nk9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 7.A NE ASP 5.A OD1 no hydrogen 2.979 N/A ARG 7.A NE ASP 5.A OD2 no hydrogen 3.237 N/A ARG 7.A NH1 ASP 5.A OD2 no hydrogen 2.974 N/A TRP 8.A N ASP 5.A O no hydrogen 3.243 N/A GLU 9.A N ASP 5.A O no hydrogen 2.981 N/A LEU 10.A N ALA 86.A O no hydrogen 2.808 N/A ARG 12.A NE GLN 89.A O no hydrogen 2.798 N/A ARG 12.A NH1 PRO 92.A O no hydrogen 2.797 N/A ARG 12.A NH2 GLN 89.A O no hydrogen 2.812 N/A ARG 12.A NH2 PRO 92.A O no hydrogen 2.851 N/A ARG 14.A N PRO 11.A O no hydrogen 3.039 N/A LEU 15.A N ARG 12.A O no hydrogen 3.138 N/A VAL 16.A N GLU 33.A O no hydrogen 2.830 N/A GLY 18.A N LEU 31.A O no hydrogen 2.716 N/A LEU 21.A N VAL 29.A O no hydrogen 2.803 N/A GLY 22.A N VAL 29.A O no hydrogen 3.265 N/A GLY 24.A N GLY 27.A O no hydrogen 2.936 N/A GLN 28.A N MET 51.A O no hydrogen 2.931 N/A VAL 29.A N GLY 22.A O no hydrogen 2.932 N/A VAL 30.A N VAL 49.A O no hydrogen 2.874 N/A LEU 31.A N LYS 19.A O no hydrogen 2.809 N/A ALA 32.A N VAL 47.A O no hydrogen 2.840 N/A GLU 33.A N VAL 16.A O no hydrogen 2.952 N/A ALA 34.A N THR 45.A O no hydrogen 2.915 N/A ILE 35.A N ARG 14.A O no hydrogen 2.773 N/A GLY 36.A N ARG 43.A O no hydrogen 2.758 N/A THR 45.A N ALA 34.A O no hydrogen 2.945 N/A VAL 47.A N ALA 32.A O no hydrogen 2.846 N/A ALA 48.A N VAL 97.A O no hydrogen 3.055 N/A VAL 49.A N VAL 30.A O no hydrogen 2.896 N/A LYS 50.A N VAL 95.A O no hydrogen 3.128 N/A LYS 50.A NZ ALA 25.A O no hydrogen 2.746 N/A LYS 50.A NZ GLU 67.A OE1 no hydrogen 3.363 N/A MET 51.A N GLN 28.A O no hydrogen 3.143 N/A ALA 56.A N LYS 53.A O no hydrogen 3.199 N/A THR 57.A N ASP 60.A OD2 no hydrogen 3.182 N/A THR 57.A OG1 ASP 60.A OD2 no hydrogen 3.078 N/A ASP 60.A N THR 57.A OG1 no hydrogen 3.270 N/A LEU 61.A N THR 57.A O no hydrogen 3.067 N/A SER 62.A N GLU 58.A O no hydrogen 3.124 N/A SER 62.A OG GLU 58.A O no hydrogen 3.423 N/A SER 62.A OG LYS 59.A O no hydrogen 2.681 N/A ASP 63.A N LYS 59.A O no hydrogen 3.160 N/A LEU 64.A N ASP 60.A O no hydrogen 3.240 N/A ILE 65.A N LEU 61.A O no hydrogen 2.982 N/A SER 66.A N SER 62.A O no hydrogen 2.892 N/A GLU 67.A N ASP 63.A O no hydrogen 3.011 N/A MET 68.A N LEU 64.A O no hydrogen 3.196 N/A GLU 69.A N ILE 65.A O no hydrogen 2.790 N/A MET 70.A N SER 66.A O no hydrogen 2.886 N/A MET 71.A N GLU 67.A O no hydrogen 3.024 N/A LYS 72.A N MET 68.A O no hydrogen 3.086 N/A LYS 72.A NZ ASP 5.A OD2 no hydrogen 2.756 N/A LYS 72.A NZ GLU 69.A OE2 no hydrogen 3.028 N/A ILE 74.A N MET 70.A O no hydrogen 2.921 N/A GLY 75.A N MET 71.A O no hydrogen 3.400 N/A HIS 77.A N ASN 82.A OD1 no hydrogen 3.180 N/A ASN 79.A N HIS 77.A ND1 no hydrogen 2.991 N/A ASN 79.A ND2 MET 160.A O no hydrogen 3.040 N/A ILE 81.A N ILE 162.A O no hydrogen 3.019 N/A ASN 82.A N GLU 98.A OE1 no hydrogen 2.865 N/A ASN 82.A ND2 HIS 77.A O no hydrogen 2.713 N/A ASN 82.A ND2 GLU 98.A OE1 no hydrogen 2.804 N/A ASN 82.A ND2 GLU 98.A OE2 no hydrogen 3.460 N/A LEU 84.A N ILE 96.A O no hydrogen 2.810 N/A GLY 85.A N ILE 96.A O no hydrogen 3.204 N/A ALA 86.A N TRP 8.A O no hydrogen 3.255 N/A CYS 87.A N TYR 94.A O no hydrogen 3.020 N/A CYS 87.A SG LEU 10.A O no hydrogen 3.503 N/A THR 88.A N GLU 9.A OE2 no hydrogen 2.954 N/A THR 88.A OG1 GLU 9.A OE1 no hydrogen 2.683 N/A THR 88.A OG1 GLU 9.A OE2 no hydrogen 3.418 N/A GLN 89.A N GLU 9.A OE2 no hydrogen 3.451 N/A GLN 89.A NE2 LEU 2.A O no hydrogen 2.746 N/A GLN 89.A NE2 THR 88.A OG1 no hydrogen 3.014 N/A TYR 94.A N CYS 87.A O no hydrogen 2.945 N/A VAL 95.A N LYS 50.A O no hydrogen 2.891 N/A ILE 96.A N GLY 85.A O no hydrogen 2.834 N/A VAL 97.A N ALA 48.A O no hydrogen 2.890 N/A GLU 98.A N ASN 82.A O no hydrogen 3.088 N/A LYS 102.A N VAL 154.A O no hydrogen 2.940 N/A LYS 102.A NZ GLU 156.A O no hydrogen 3.493 N/A LYS 102.A NZ ASN 158.A OD1 no hydrogen 2.874 N/A LEU 105.A N VAL 152.A O no hydrogen 2.801 N/A ARG 106.A NH2 GLU 107.A OE2 no hydrogen 3.551 N/A GLU 107.A N ASN 104.A OD1 no hydrogen 2.962 N/A TYR 108.A N ASN 104.A O no hydrogen 3.012 N/A LEU 109.A N LEU 105.A O no hydrogen 2.940 N/A GLN 110.A N ARG 106.A O no hydrogen 2.937 N/A GLN 110.A NE2 GLY 213.A O no hydrogen 3.037 N/A ALA 111.A N GLU 107.A O no hydrogen 2.826 N/A ARG 112.A N TYR 108.A O no hydrogen 3.213 N/A ARG 112.A NH1 TYR 108.A O no hydrogen 3.395 N/A ARG 113.A N GLN 110.A O no hydrogen 3.225 N/A ARG 113.A NE LEU 212.A O no hydrogen 2.771 N/A ARG 113.A NH2 THR 211.A O no hydrogen 3.380 N/A SER 119.A N ASP 122.A OD2 no hydrogen 2.786 N/A SER 119.A OG ASP 122.A OD2 no hydrogen 2.833 N/A SER 120.A N GLU 281.A O no hydrogen 3.253 N/A SER 120.A N GLU 281.A OXT no hydrogen 3.421 N/A LYS 121.A NZ VAL 274.A O no hydrogen 3.239 N/A LYS 121.A NZ THR 277.A O no hydrogen 2.718 N/A ASP 122.A N SER 119.A OG no hydrogen 3.427 N/A LEU 123.A N SER 119.A O no hydrogen 3.151 N/A VAL 124.A N SER 120.A O no hydrogen 3.095 N/A SER 125.A N LYS 121.A O no hydrogen 2.976 N/A CYS 126.A N ASP 122.A O no hydrogen 3.069 N/A CYS 126.A SG ASP 122.A O no hydrogen 3.375 N/A ALA 127.A N LEU 123.A O no hydrogen 3.338 N/A TYR 128.A N VAL 124.A O no hydrogen 2.932 N/A TYR 128.A OH ASP 271.A OD2 no hydrogen 3.192 N/A GLN 129.A N SER 125.A O no hydrogen 3.123 N/A GLN 129.A NE2 SER 125.A O no hydrogen 3.489 N/A VAL 130.A N CYS 126.A O no hydrogen 3.168 N/A ALA 131.A N ALA 127.A O no hydrogen 3.018 N/A ARG 132.A N TYR 128.A O no hydrogen 2.830 N/A ARG 132.A NH1 ASN 79.A OD1 no hydrogen 3.088 N/A GLY 133.A N GLN 129.A O no hydrogen 2.896 N/A MET 134.A N VAL 130.A O no hydrogen 2.905 N/A GLU 135.A N ALA 131.A O no hydrogen 2.822 N/A TYR 136.A N ARG 132.A O no hydrogen 3.056 N/A TYR 136.A OH ILE 74.A O no hydrogen 2.778 N/A LEU 137.A N GLY 133.A O no hydrogen 3.143 N/A ALA 138.A N MET 134.A O no hydrogen 2.854 N/A SER 139.A N GLU 135.A O no hydrogen 3.095 N/A SER 139.A OG TYR 136.A O no hydrogen 2.714 N/A LYS 140.A N TYR 136.A O no hydrogen 3.194 N/A LYS 140.A N LEU 137.A O no hydrogen 3.127 N/A LYS 141.A N ALA 138.A O no hydrogen 2.874 N/A CYS 142.A N LEU 137.A O no hydrogen 2.943 N/A HIS 144.A N ASP 198.A OD2 no hydrogen 2.983 N/A HIS 144.A NE2 ALA 163.A O no hydrogen 2.756 N/A ARG 145.A N ASP 198.A OD1 no hydrogen 3.114 N/A ASP 146.A N HIS 144.A ND1 no hydrogen 3.039 N/A ALA 149.A N GLU 208.A OE2 no hydrogen 2.835 N/A ARG 150.A NH2 ASP 146.A OD1 no hydrogen 2.830 N/A ASN 151.A N ALA 148.A O no hydrogen 3.067 N/A ASN 151.A ND2 ASP 146.A O no hydrogen 2.796 N/A VAL 152.A N ALA 149.A O no hydrogen 3.193 N/A LEU 153.A N LYS 161.A O no hydrogen 2.746 N/A VAL 154.A N GLY 103.A O no hydrogen 2.794 N/A THR 155.A N VAL 159.A O no hydrogen 3.052 N/A ASN 158.A N THR 155.A O no hydrogen 3.187 N/A MET 160.A N GLN 129.A OE1 no hydrogen 2.807 N/A LYS 161.A N LEU 153.A O no hydrogen 2.824 N/A LYS 161.A NZ LYS 78.A O no hydrogen 2.814 N/A LYS 161.A NZ ILE 80.A O no hydrogen 3.229 N/A LYS 161.A NZ GLU 98.A OE1 no hydrogen 2.788 N/A LYS 161.A NZ GLU 98.A OE2 no hydrogen 3.304 N/A ILE 162.A N ASN 79.A O no hydrogen 3.101 N/A ALA 163.A N ASN 151.A O no hydrogen 2.853 N/A LYS 171.A N ASP 168.A O no hydrogen 3.410 N/A THR 173.A N ARG 177.A O no hydrogen 2.917 N/A THR 173.A OG1 ARG 177.A O no hydrogen 3.344 N/A GLY 176.A N THR 173.A O no hydrogen 3.321 N/A ARG 177.A N THR 173.A OG1 no hydrogen 2.987 N/A ARG 177.A NH2 GLY 213.A O no hydrogen 2.935 N/A LYS 181.A N LEU 178.A O no hydrogen 3.098 N/A LYS 181.A NZ TYR 217.A O no hydrogen 2.739 N/A LYS 181.A NZ VAL 220.A O no hydrogen 2.711 N/A TRP 182.A N PRO 179.A O no hydrogen 3.137 N/A TRP 182.A NE1 GLU 208.A OE2 no hydrogen 2.853 N/A MET 183.A N VAL 180.A O no hydrogen 3.231 N/A GLU 186.A N GLU 186.A OE1 no hydrogen 2.896 N/A LEU 188.A N ALA 184.A O no hydrogen 3.163 N/A PHE 189.A N PRO 185.A O no hydrogen 2.740 N/A ASP 190.A N GLU 186.A O no hydrogen 2.896 N/A ILE 192.A N GLU 186.A O no hydrogen 3.161 N/A THR 194.A N SER 197.A OG no hydrogen 2.959 N/A SER 197.A N THR 194.A O no hydrogen 3.344 N/A SER 197.A OG THR 194.A O no hydrogen 2.832 N/A ASP 198.A N HIS 195.A O no hydrogen 3.274 N/A VAL 199.A N HIS 195.A O no hydrogen 3.063 N/A TRP 200.A N GLN 196.A O no hydrogen 3.401 N/A SER 201.A N SER 197.A O no hydrogen 3.435 N/A SER 201.A OG TRP 182.A O no hydrogen 2.886 N/A SER 201.A OG SER 197.A O no hydrogen 2.988 N/A PHE 202.A N ASP 198.A O no hydrogen 2.857 N/A GLY 203.A N VAL 199.A O no hydrogen 3.088 N/A GLY 203.A N TRP 200.A O no hydrogen 3.016 N/A VAL 204.A N TRP 200.A O no hydrogen 3.341 N/A LEU 205.A N SER 201.A O no hydrogen 2.978 N/A LEU 206.A N PHE 202.A O no hydrogen 2.877 N/A TRP 207.A N GLY 203.A O no hydrogen 3.233 N/A TRP 207.A NE1 ASP 236.A O no hydrogen 3.206 N/A GLU 208.A N VAL 204.A O no hydrogen 2.925 N/A ILE 209.A N LEU 205.A O no hydrogen 2.900 N/A PHE 210.A N LEU 206.A O no hydrogen 3.033 N/A THR 211.A N TRP 207.A O no hydrogen 3.044 N/A THR 211.A OG1 TRP 207.A O no hydrogen 2.753 N/A THR 211.A OG1 GLU 208.A O no hydrogen 3.011 N/A LEU 212.A N ILE 209.A O no hydrogen 3.056 N/A GLY 213.A N GLU 208.A O no hydrogen 2.753 N/A GLY 214.A N THR 211.A OG1 no hydrogen 3.034 N/A VAL 220.A N TYR 217.A O no hydrogen 3.391 N/A LEU 225.A N PRO 221.A O no hydrogen 2.898 N/A PHE 226.A N VAL 222.A O no hydrogen 3.134 N/A LYS 227.A N GLU 223.A O no hydrogen 3.464 N/A LEU 228.A N GLU 224.A O no hydrogen 3.083 N/A LEU 229.A N LEU 225.A O no hydrogen 2.963 N/A LYS 230.A N PHE 226.A O no hydrogen 2.818 N/A GLU 231.A N LYS 227.A O no hydrogen 3.063 N/A GLY 232.A N LEU 229.A O no hydrogen 2.952 N/A HIS 233.A N LEU 228.A O no hydrogen 2.796 N/A ARG 234.A NE TRP 253.A O no hydrogen 2.930 N/A ARG 234.A NH1 HIS 233.A O no hydrogen 2.745 N/A LYS 237.A NZ ASN 243.A OD1 no hydrogen 3.216 N/A CYS 241.A SG THR 242.A O no hydrogen 3.550 N/A LEU 245.A N THR 242.A OG1 no hydrogen 3.033 N/A TYR 246.A N THR 242.A O no hydrogen 3.111 N/A TYR 246.A OH MET 235.A O no hydrogen 2.805 N/A MET 247.A N ASN 243.A O no hydrogen 2.969 N/A MET 248.A N GLU 244.A O no hydrogen 3.090 N/A MET 249.A N LEU 245.A O no hydrogen 3.243 N/A ARG 250.A N TYR 246.A O no hydrogen 2.925 N/A ARG 250.A NH1 TYR 246.A OH no hydrogen 3.234 N/A ASP 251.A N MET 247.A O no hydrogen 2.855 N/A CYS 252.A N MET 248.A O no hydrogen 3.126 N/A CYS 252.A SG MET 248.A O no hydrogen 3.271 N/A TRP 253.A N MET 249.A O no hydrogen 3.078 N/A HIS 254.A N ASP 251.A O no hydrogen 3.025 N/A VAL 256.A N HIS 254.A ND1 no hydrogen 3.074 N/A GLN 259.A N VAL 256.A O no hydrogen 3.025 N/A ARG 260.A N PRO 257.A O no hydrogen 3.367 N/A ARG 260.A NE HIS 254.A O no hydrogen 2.763 N/A ARG 260.A NH1 GLU 186.A OE2 no hydrogen 2.686 N/A ARG 260.A NH1 GLN 196.A O no hydrogen 2.726 N/A ARG 260.A NH2 GLU 186.A OE1 no hydrogen 2.817 N/A ARG 260.A NH2 GLU 186.A OE2 no hydrogen 3.420 N/A ARG 260.A NH2 HIS 254.A O no hydrogen 3.304 N/A THR 262.A N GLN 265.A OE1 no hydrogen 3.051 N/A THR 262.A OG1 GLN 265.A OE1 no hydrogen 3.352 N/A LEU 266.A N THR 262.A O no hydrogen 3.060 N/A VAL 267.A N PHE 263.A O no hydrogen 2.825 N/A GLU 268.A N LYS 264.A O no hydrogen 3.170 N/A ASP 269.A N GLN 265.A O no hydrogen 2.963 N/A LEU 270.A N LEU 266.A O no hydrogen 2.866 N/A ASP 271.A N VAL 267.A O no hydrogen 2.960 N/A ARG 272.A N GLU 268.A O no hydrogen 3.396 N/A ARG 272.A NH1 GLU 244.A OE2 no hydrogen 2.887 N/A ARG 272.A NH2 GLU 244.A OE2 no hydrogen 3.042 N/A ILE 273.A N ASP 269.A O no hydrogen 3.045 N/A VAL 274.A N LEU 270.A O no hydrogen 2.927 N/A ALA 275.A N ASP 271.A O no hydrogen 3.527 N/A LEU 276.A N ARG 272.A O no hydrogen 3.295 N/A LEU 276.A N ILE 273.A O no hydrogen 3.030 N/A THR 277.A N VAL 274.A O no hydrogen 2.792 N/A THR 277.A OG1 ILE 273.A O no hydrogen 2.697 N/A GLN 280.A N SER 278.A OG no hydrogen 3.313 N/A