Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1nq1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 6.A N ALA 2.A O no hydrogen 2.582 N/A GLN 7.A N MET 3.A O no hydrogen 3.298 N/A LYS 8.A N GLU 4.A O no hydrogen 2.754 N/A LYS 8.A NZ GLU 196.A OE1 no hydrogen 3.542 N/A LYS 8.A NZ GLU 196.A OE2 no hydrogen 3.263 N/A SER 9.A N GLU 5.A O no hydrogen 3.369 N/A SER 9.A OG LEU 6.A O no hydrogen 2.562 N/A ILE 10.A N LEU 6.A O no hydrogen 3.023 N/A HIS 12.A N GLN 7.A O no hydrogen 3.134 N/A THR 17.A N GLU 20.A OE1 no hydrogen 2.764 N/A GLU 20.A N THR 17.A OG1 no hydrogen 3.242 N/A TRP 21.A N THR 17.A O no hydrogen 2.996 N/A LEU 23.A N GLU 19.A O no hydrogen 3.090 N/A ILE 24.A N GLU 20.A O no hydrogen 2.718 N/A LYS 25.A N TRP 21.A O no hydrogen 2.784 N/A LYS 25.A NZ GLU 22.A O no hydrogen 2.470 N/A LYS 25.A NZ THR 26.A OG1 no hydrogen 2.951 N/A THR 26.A N GLU 22.A O no hydrogen 3.048 N/A THR 26.A OG1 GLU 22.A O no hydrogen 2.857 N/A VAL 27.A N LEU 23.A O no hydrogen 3.167 N/A THR 28.A N ILE 24.A O no hydrogen 2.895 N/A THR 28.A OG1 ILE 24.A O no hydrogen 2.492 N/A THR 28.A OG1 THR 160.A OG1 no hydrogen 2.558 N/A GLU 29.A N LYS 25.A O no hydrogen 2.992 N/A ALA 30.A N THR 26.A O no hydrogen 2.936 N/A HIS 31.A N VAL 27.A O no hydrogen 2.988 N/A VAL 32.A N THR 28.A O no hydrogen 3.244 N/A ALA 33.A N GLU 29.A O no hydrogen 2.851 N/A THR 34.A N ALA 30.A O no hydrogen 3.334 N/A THR 34.A N HIS 31.A O no hydrogen 2.743 N/A THR 34.A OG1 ALA 30.A O no hydrogen 3.017 N/A THR 34.A OG1 HIS 31.A O no hydrogen 2.988 N/A LYS 44.A N GLN 45.A OE1 no hydrogen 2.636 N/A LYS 46.A N GLU 125.A O no hydrogen 3.062 N/A LEU 48.A N ALA 127.A O no hydrogen 3.315 N/A ILE 52.A N PRO 49.A O no hydrogen 3.044 N/A GLY 53.A N ASP 57.A OD2 no hydrogen 2.821 N/A ASP 57.A N ASN 135.A O no hydrogen 2.866 N/A ALA 60.A N ASP 57.A O no hydrogen 2.880 N/A ALA 60.A N ASP 57.A OD2 no hydrogen 2.677 N/A PHE 61.A N ASP 57.A O no hydrogen 3.185 N/A SER 62.A N LEU 58.A O no hydrogen 3.227 N/A HIS 63.A ND1 GLU 59.A O no hydrogen 2.886 N/A PHE 64.A N ALA 60.A O no hydrogen 3.127 N/A THR 65.A N PHE 61.A O no hydrogen 3.117 N/A THR 65.A OG1 PHE 61.A O no hydrogen 2.494 N/A THR 65.A OG1 SER 62.A O no hydrogen 2.990 N/A LYS 66.A N SER 62.A O no hydrogen 2.790 N/A ILE 67.A N HIS 63.A O no hydrogen 3.381 N/A ILE 72.A N ILE 68.A O no hydrogen 3.092 N/A THR 73.A N THR 69.A O no hydrogen 3.105 N/A THR 73.A N PRO 70.A O no hydrogen 2.857 N/A THR 73.A OG1 THR 69.A O no hydrogen 2.794 N/A THR 73.A OG1 PRO 70.A O no hydrogen 2.233 N/A ARG 74.A N PRO 70.A O no hydrogen 3.009 N/A ARG 74.A NE ASN 35.A O no hydrogen 3.299 N/A ARG 74.A NH1 PRO 70.A O no hydrogen 3.376 N/A VAL 75.A N ALA 71.A O no hydrogen 3.177 N/A ASP 77.A N THR 73.A O no hydrogen 2.822 N/A ASP 77.A N ARG 74.A O no hydrogen 3.139 N/A PHE 78.A N ARG 74.A O no hydrogen 2.907 N/A ALA 79.A N VAL 75.A O no hydrogen 3.094 N/A LYS 80.A N VAL 76.A O no hydrogen 3.179 N/A LYS 80.A NZ ASP 77.A OD1 no hydrogen 3.425 N/A LYS 81.A N ASP 77.A O no hydrogen 3.110 N/A LYS 81.A N PHE 78.A O no hydrogen 2.783 N/A LEU 82.A N ALA 79.A O no hydrogen 3.410 N/A PHE 85.A N LEU 82.A O no hydrogen 2.719 N/A CYS 86.A N LEU 82.A O no hydrogen 3.412 N/A CYS 86.A SG LYS 80.A O no hydrogen 3.287 N/A CYS 86.A SG LEU 82.A O no hydrogen 3.951 N/A GLU 87.A N PRO 83.A O no hydrogen 3.073 N/A LEU 88.A N PHE 85.A O no hydrogen 2.704 N/A CYS 90.A SG GLU 91.A OE2 no hydrogen 3.501 N/A GLN 93.A N PRO 89.A O no hydrogen 2.983 N/A GLN 93.A NE2 PHE 85.A O no hydrogen 2.885 N/A ILE 94.A N CYS 90.A O no hydrogen 3.223 N/A ILE 94.A N GLU 91.A O no hydrogen 3.080 N/A ILE 95.A N GLU 91.A O no hydrogen 3.233 N/A LEU 96.A N ASP 92.A O no hydrogen 2.846 N/A LEU 97.A N GLN 93.A O no hydrogen 3.386 N/A LYS 98.A N ILE 94.A O no hydrogen 3.093 N/A LYS 98.A NZ GLU 249.A O no hydrogen 2.851 N/A LYS 98.A NZ GLU 252.A OE2 no hydrogen 2.249 N/A GLY 99.A N ILE 95.A O no hydrogen 3.211 N/A GLY 99.A N LEU 96.A O no hydrogen 3.145 N/A CYS 100.A N LEU 96.A O no hydrogen 2.951 N/A CYS 100.A SG LEU 96.A O no hydrogen 3.479 N/A ILE 104.A N CYS 100.A O no hydrogen 2.933 N/A MET 105.A N CYS 101.A O no hydrogen 3.048 N/A SER 106.A N MET 102.A O no hydrogen 2.758 N/A SER 106.A OG MET 102.A O no hydrogen 2.557 N/A LEU 107.A N GLU 103.A O no hydrogen 3.076 N/A ARG 108.A N ILE 104.A O no hydrogen 3.088 N/A ARG 108.A NE GLN 166.A OE1 no hydrogen 2.781 N/A ARG 108.A NH1 THR 34.A O no hydrogen 2.881 N/A ARG 108.A NH2 THR 34.A OG1 no hydrogen 2.924 N/A ALA 109.A N MET 105.A O no hydrogen 3.089 N/A ALA 110.A N SER 106.A O no hydrogen 2.743 N/A VAL 111.A N LEU 107.A O no hydrogen 2.829 N/A ARG 112.A N ALA 109.A O no hydrogen 3.381 N/A ARG 112.A NH1 THR 121.A O no hydrogen 2.744 N/A ASP 114.A N THR 119.A O no hydrogen 2.848 N/A GLU 116.A N ASP 114.A OD1 no hydrogen 3.271 N/A SER 117.A N ASP 114.A OD2 no hydrogen 2.931 N/A SER 117.A OG ASP 114.A OD2 no hydrogen 2.402 N/A SER 117.A OG THR 119.A OG1 no hydrogen 2.970 N/A THR 119.A N ASP 114.A O no hydrogen 3.179 N/A THR 119.A OG1 SER 117.A OG no hydrogen 2.970 N/A LEU 120.A N VAL 128.A O no hydrogen 3.377 N/A LEU 122.A N MET 126.A O no hydrogen 2.687 N/A ASN 123.A ND2 GLU 125.A OE2 no hydrogen 2.867 N/A GLU 125.A N LEU 122.A O no hydrogen 2.858 N/A VAL 128.A N LEU 120.A O no hydrogen 3.136 N/A ARG 130.A NH1 ASP 147.A OD1 no hydrogen 3.345 N/A ARG 130.A NH2 ASP 147.A OD1 no hydrogen 2.868 N/A GLN 132.A N THR 129.A OG1 no hydrogen 3.346 N/A LEU 133.A N THR 129.A O no hydrogen 3.020 N/A LYS 134.A N ARG 130.A O no hydrogen 2.731 N/A LYS 134.A NZ ASP 143.A OD1 no hydrogen 3.412 N/A ASN 135.A N GLY 131.A O no hydrogen 2.811 N/A GLY 136.A N GLN 132.A O no hydrogen 2.845 N/A LEU 138.A N LEU 133.A O no hydrogen 3.384 N/A GLY 139.A N LYS 134.A O no hydrogen 2.851 N/A VAL 141.A N LEU 138.A O no hydrogen 2.892 N/A SER 142.A N GLY 139.A O no hydrogen 2.856 N/A SER 142.A OG ARG 130.A O no hydrogen 2.801 N/A ALA 144.A N VAL 140.A O no hydrogen 3.288 N/A ILE 145.A N VAL 141.A O no hydrogen 3.175 N/A PHE 146.A N SER 142.A O no hydrogen 2.789 N/A ASP 147.A N ASP 143.A O no hydrogen 2.753 N/A LEU 148.A N ALA 144.A O no hydrogen 2.905 N/A GLY 149.A N ILE 145.A O no hydrogen 2.804 N/A MET 150.A N PHE 146.A O no hydrogen 3.072 N/A SER 151.A N ASP 147.A O no hydrogen 3.190 N/A LEU 152.A N LEU 148.A O no hydrogen 2.801 N/A SER 153.A N MET 150.A O no hydrogen 3.167 N/A SER 153.A OG GLY 149.A O no hydrogen 3.380 N/A SER 153.A OG MET 150.A O no hydrogen 2.843 N/A ASN 156.A N SER 153.A O no hydrogen 3.392 N/A THR 160.A OG1 THR 28.A OG1 no hydrogen 2.558 N/A GLU 161.A N ASP 158.A OD2 no hydrogen 2.646 N/A VAL 162.A N ASP 158.A O no hydrogen 2.956 N/A ALA 163.A N ASP 159.A O no hydrogen 2.493 N/A LEU 164.A N THR 160.A O no hydrogen 2.643 N/A LEU 165.A N GLU 161.A O no hydrogen 2.927 N/A GLN 166.A N VAL 162.A O no hydrogen 3.315 N/A ALA 167.A N ALA 163.A O no hydrogen 3.310 N/A VAL 168.A N LEU 164.A O no hydrogen 2.866 N/A LEU 169.A N LEU 165.A O no hydrogen 2.898 N/A LEU 170.A N GLN 166.A O no hydrogen 2.896 N/A MET 171.A N ALA 167.A O no hydrogen 3.108 N/A SER 172.A OG LEU 169.A O no hydrogen 2.484 N/A SER 173.A OG GLU 185.A OE2 no hydrogen 3.178 N/A ARG 175.A N SER 172.A O no hydrogen 3.297 N/A ARG 175.A NH1 GLU 103.A OE2 no hydrogen 3.237 N/A ARG 175.A NH2 GLU 103.A OE1 no hydrogen 2.684 N/A ARG 175.A NH2 GLU 103.A OE2 no hydrogen 3.219 N/A ARG 175.A NH2 LEU 169.A O no hydrogen 3.299 N/A LEU 178.A N ARG 175.A O no hydrogen 3.348 N/A ALA 179.A N ASP 92.A OD1 no hydrogen 2.984 N/A ALA 179.A N ASP 92.A OD2 no hydrogen 3.303 N/A CYS 180.A N ASP 92.A OD2 no hydrogen 2.809 N/A VAL 181.A N ALA 179.A O no hydrogen 2.923 N/A GLU 185.A N VAL 181.A O no hydrogen 3.368 N/A LYS 186.A N GLU 182.A O no hydrogen 3.073 N/A GLN 188.A N ILE 184.A O no hydrogen 2.857 N/A GLN 188.A NE2 VAL 168.A O no hydrogen 2.637 N/A ASP 189.A N GLU 185.A O no hydrogen 2.897 N/A SER 190.A N LYS 186.A O no hydrogen 3.050 N/A PHE 191.A N TYR 187.A O no hydrogen 3.033 N/A LEU 192.A N GLN 188.A O no hydrogen 2.719 N/A LEU 193.A N ASP 189.A O no hydrogen 2.895 N/A ALA 194.A N SER 190.A O no hydrogen 3.109 N/A PHE 195.A N PHE 191.A O no hydrogen 2.616 N/A GLU 196.A N LEU 192.A O no hydrogen 2.860 N/A HIS 197.A N LEU 193.A O no hydrogen 2.927 N/A HIS 197.A ND1 GLU 20.A OE1 no hydrogen 2.539 N/A HIS 197.A NE2 GLU 4.A OE1 no hydrogen 3.044 N/A TYR 198.A N ALA 194.A O no hydrogen 3.012 N/A TYR 198.A OH ASP 158.A OD1 no hydrogen 2.685 N/A ILE 199.A N PHE 195.A O no hydrogen 3.069 N/A ILE 199.A N GLU 196.A O no hydrogen 3.101 N/A ASN 200.A N GLU 196.A O no hydrogen 3.152 N/A ASN 200.A N HIS 197.A O no hydrogen 2.990 N/A ASN 200.A ND2 PRO 14.A O no hydrogen 2.995 N/A TYR 201.A N HIS 197.A O no hydrogen 2.970 N/A ARG 202.A N TYR 198.A O no hydrogen 3.042 N/A ARG 202.A NE GLU 161.A OE2 no hydrogen 2.992 N/A ARG 202.A NH2 ASN 156.A O no hydrogen 3.259 N/A ARG 202.A NH2 GLU 161.A OE2 no hydrogen 3.325 N/A LYS 203.A N ILE 199.A O no hydrogen 2.786 N/A HIS 204.A NE2 GLU 161.A OE2 no hydrogen 2.625 N/A LYS 212.A N HIS 208.A O no hydrogen 3.000 N/A LEU 213.A N PHE 209.A O no hydrogen 2.744 N/A LEU 214.A N TRP 210.A O no hydrogen 2.967 N/A MET 215.A N PRO 211.A O no hydrogen 3.289 N/A MET 215.A N LYS 212.A O no hydrogen 3.141 N/A LYS 216.A N LEU 213.A O no hydrogen 3.369 N/A LYS 216.A NZ SER 151.A OG no hydrogen 2.840 N/A THR 218.A N LEU 214.A O no hydrogen 3.398 N/A ASP 219.A N MET 215.A O no hydrogen 3.301 N/A LEU 220.A N LYS 216.A O no hydrogen 2.810 N/A ARG 221.A N VAL 217.A O no hydrogen 2.924 N/A ARG 221.A NH1 GLU 103.A OE2 no hydrogen 3.353 N/A MET 222.A N THR 218.A O no hydrogen 2.960 N/A ILE 223.A N ASP 219.A O no hydrogen 2.959 N/A ILE 223.A N LEU 220.A O no hydrogen 3.145 N/A GLY 224.A N LEU 220.A O no hydrogen 2.961 N/A ALA 225.A N ARG 221.A O no hydrogen 3.099 N/A CYS 226.A N MET 222.A O no hydrogen 3.085 N/A HIS 227.A N ILE 223.A O no hydrogen 2.943 N/A HIS 227.A N GLY 224.A O no hydrogen 2.885 N/A ALA 228.A N GLY 224.A O no hydrogen 3.166 N/A ARG 230.A N CYS 226.A O no hydrogen 3.067 N/A PHE 231.A N HIS 227.A O no hydrogen 2.720 N/A PHE 231.A N ALA 228.A O no hydrogen 3.013 N/A LEU 232.A N ALA 228.A O no hydrogen 3.338 N/A LEU 232.A N SER 229.A O no hydrogen 3.109 N/A HIS 233.A N SER 229.A O no hydrogen 3.272 N/A HIS 233.A ND1 SER 229.A O no hydrogen 3.205 N/A MET 234.A N ARG 230.A O no hydrogen 2.983 N/A LYS 235.A N PHE 231.A O no hydrogen 2.931 N/A VAL 236.A N LEU 232.A O no hydrogen 3.247 N/A GLU 237.A N HIS 233.A O no hydrogen 3.174 N/A CYS 238.A N MET 234.A O no hydrogen 2.945 N/A LEU 248.A N PRO 244.A O no hydrogen 3.054 N/A GLU 249.A N PRO 245.A O no hydrogen 2.991 N/A VAL 250.A N LEU 246.A O no hydrogen 3.037 N/A PHE 251.A N PHE 247.A O no hydrogen 3.318 N/A