Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1nbi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A NE2 HIS 125.A O no hydrogen 3.396 N/A GLN 3.A NE2 SER 224.A O no hydrogen 2.901 N/A TYR 4.A N ASP 2.A OD2 no hydrogen 2.897 N/A ALA 5.A N ASP 2.A O no hydrogen 2.778 N/A GLY 7.A N TYR 4.A O no hydrogen 3.050 N/A GLU 8.A N ASP 6.A OD1 no hydrogen 3.098 N/A ARG 11.A N GLY 7.A O no hydrogen 2.983 N/A ARG 11.A NE GLU 8.A OE1 no hydrogen 3.028 N/A VAL 12.A N GLU 8.A O no hydrogen 3.369 N/A VAL 12.A N ALA 9.A O no hydrogen 3.087 N/A TRP 13.A N ALA 9.A O no hydrogen 2.818 N/A GLN 14.A NE2 ALA 10.A O no hydrogen 2.821 N/A LEU 15.A N VAL 12.A O no hydrogen 2.538 N/A TYR 16.A N VAL 12.A O no hydrogen 2.599 N/A TYR 16.A OH TYR 203.A OH no hydrogen 3.367 N/A ILE 17.A N TRP 13.A O no hydrogen 2.632 N/A ARG 21.A NE ASP 19.A OD1 no hydrogen 2.747 N/A ARG 21.A NH2 ASP 19.A OD1 no hydrogen 2.905 N/A ARG 23.A N ASP 19.A O no hydrogen 2.838 N/A ARG 23.A NE TYR 27.A OH no hydrogen 2.904 N/A ARG 23.A NH1 TYR 176.A O no hydrogen 3.335 N/A ARG 23.A NH2 TYR 27.A OH no hydrogen 2.753 N/A ARG 23.A NH2 ASP 53.A OD2 no hydrogen 3.489 N/A THR 24.A N THR 20.A O no hydrogen 2.665 N/A GLU 26.A N SER 22.A O no hydrogen 3.387 N/A TYR 27.A OH ASP 53.A OD2 no hydrogen 2.647 N/A LYS 28.A NZ GLU 60.A OE2 no hydrogen 2.853 N/A LEU 31.A N TYR 27.A O no hydrogen 2.970 N/A LEU 32.A N LYS 28.A O no hydrogen 3.008 N/A GLY 33.A N ALA 29.A O no hydrogen 3.069 N/A LEU 34.A N TRP 30.A O no hydrogen 2.798 N/A LEU 35.A N LEU 31.A O no hydrogen 2.766 N/A ARG 36.A N LEU 32.A O no hydrogen 3.228 N/A ARG 36.A NH2 GLU 60.A O no hydrogen 3.319 N/A ARG 36.A NH2 GLU 60.A OE1 no hydrogen 2.831 N/A GLN 37.A N GLY 33.A O no hydrogen 2.475 N/A HIS 38.A ND1 LEU 34.A O no hydrogen 2.957 N/A GLY 39.A N ARG 36.A O no hydrogen 2.545 N/A CYS 40.A N LEU 35.A O no hydrogen 2.888 N/A CYS 40.A SG LEU 35.A O no hydrogen 3.240 N/A CYS 40.A SG HIS 38.A O no hydrogen 3.866 N/A CYS 40.A SG ASP 114.A O no hydrogen 3.677 N/A HIS 41.A N ASP 114.A OD1 no hydrogen 2.765 N/A ARG 42.A N ASP 114.A OD1 no hydrogen 2.605 N/A ARG 42.A NH1 GLY 112.A O no hydrogen 3.293 N/A VAL 43.A N SER 63.A O no hydrogen 2.765 N/A LEU 44.A N ALA 115.A O no hydrogen 3.101 N/A ASP 45.A N THR 65.A O no hydrogen 3.096 N/A VAL 46.A N ILE 117.A O no hydrogen 3.035 N/A ALA 47.A N ASP 45.A OD1 no hydrogen 3.003 N/A CYS 48.A N VAL 67.A O no hydrogen 3.082 N/A CYS 48.A SG GLY 49.A O no hydrogen 3.431 N/A GLY 49.A N ASP 68.A OD1 no hydrogen 3.107 N/A GLY 51.A N CYS 48.A O no hydrogen 2.488 N/A SER 54.A OG ASP 45.A OD2 no hydrogen 2.663 N/A SER 54.A OG SER 66.A OG no hydrogen 2.662 N/A ILE 55.A N GLY 51.A O no hydrogen 2.963 N/A LEU 57.A N ASP 53.A O no hydrogen 2.983 N/A VAL 58.A N SER 54.A O no hydrogen 2.758 N/A GLU 59.A N ILE 55.A O no hydrogen 2.734 N/A GLU 60.A N MET 56.A O no hydrogen 2.819 N/A GLY 61.A N VAL 58.A O no hydrogen 2.778 N/A PHE 62.A N LEU 57.A O no hydrogen 2.902 N/A SER 63.A N HIS 41.A O no hydrogen 2.549 N/A THR 65.A N VAL 43.A O no hydrogen 3.092 N/A SER 66.A N VAL 94.A O no hydrogen 2.723 N/A SER 66.A OG SER 54.A OG no hydrogen 2.662 N/A SER 66.A OG VAL 94.A O no hydrogen 3.376 N/A VAL 67.A N ASP 45.A O no hydrogen 2.691 N/A SER 70.A N ASP 68.A OD2 no hydrogen 2.572 N/A SER 70.A OG ASP 2.A OD1 no hydrogen 3.158 N/A MET 73.A N SER 70.A OG no hydrogen 3.400 N/A LEU 74.A N SER 70.A O no hydrogen 3.062 N/A LYS 75.A N ASP 71.A O no hydrogen 2.702 N/A TYR 76.A N MET 73.A O no hydrogen 2.770 N/A LEU 78.A N LEU 74.A O no hydrogen 2.920 N/A LYS 79.A N LYS 75.A O no hydrogen 3.197 N/A GLU 80.A N TYR 76.A O no hydrogen 3.219 N/A ARG 81.A N ALA 77.A O no hydrogen 3.167 N/A ARG 81.A NH1 TRP 93.A O no hydrogen 3.343 N/A TRP 82.A N LEU 78.A O no hydrogen 3.120 N/A ASN 83.A N LYS 79.A O no hydrogen 3.041 N/A ARG 84.A N GLU 80.A O no hydrogen 2.871 N/A ARG 84.A NE GLU 87.A OE2 no hydrogen 3.098 N/A ARG 84.A NH1 GLU 59.A OE1 no hydrogen 2.858 N/A ARG 84.A NH2 GLU 59.A OE1 no hydrogen 2.984 N/A ARG 84.A NH2 GLU 87.A OE1 no hydrogen 3.035 N/A ARG 84.A NH2 GLU 87.A OE2 no hydrogen 3.054 N/A ARG 85.A N TRP 82.A O no hydrogen 2.870 N/A ARG 85.A NE TRP 82.A O no hydrogen 2.859 N/A GLU 87.A N ARG 84.A O no hydrogen 2.895 N/A ASP 91.A N GLU 87.A O no hydrogen 2.869 N/A LYS 92.A N ALA 89.A O no hydrogen 3.037 N/A LYS 92.A NZ PRO 88.A O no hydrogen 2.728 N/A TRP 93.A N PHE 90.A O no hydrogen 2.881 N/A TRP 93.A NE1 SER 66.A OG no hydrogen 2.711 N/A VAL 94.A N VAL 64.A O no hydrogen 3.369 N/A GLU 96.A N SER 66.A O no hydrogen 3.209 N/A ALA 98.A N ASP 68.A O no hydrogen 2.815 N/A ASN 99.A N ASP 106.A OD2 no hydrogen 2.865 N/A TRP 100.A NE1 VAL 46.A O no hydrogen 2.469 N/A LEU 101.A N ASN 99.A OD1 no hydrogen 2.779 N/A THR 102.A N ASN 99.A O no hydrogen 2.737 N/A THR 102.A OG1 ASN 99.A O no hydrogen 3.566 N/A THR 102.A OG1 ASP 106.A OD1 no hydrogen 3.318 N/A THR 102.A OG1 ASP 106.A OD2 no hydrogen 2.504 N/A LEU 103.A N TRP 100.A O no hydrogen 3.191 N/A LYS 105.A N THR 102.A O no hydrogen 3.084 N/A LYS 105.A N ASP 104.A OD1 no hydrogen 2.877 N/A ASP 106.A N THR 102.A O no hydrogen 3.198 N/A VAL 107.A N LEU 103.A O no hydrogen 2.929 N/A GLY 112.A N ALA 109.A O no hydrogen 2.674 N/A PHE 113.A N MET 146.A O no hydrogen 2.855 N/A ALA 115.A N ARG 42.A O no hydrogen 3.131 N/A VAL 116.A N LEU 152.A O no hydrogen 2.862 N/A ILE 117.A N LEU 44.A O no hydrogen 2.991 N/A CYS 118.A N VAL 154.A O no hydrogen 2.848 N/A GLY 120.A N ASP 156.A OD1 no hydrogen 3.186 N/A ASN 121.A N ASP 156.A OD2 no hydrogen 2.775 N/A ASN 121.A ND2 TYR 160.A OH no hydrogen 3.036 N/A SER 122.A OG LEU 119.A O no hydrogen 2.929 N/A HIS 125.A N SER 122.A O no hydrogen 2.596 N/A LEU 126.A N PHE 123.A O no hydrogen 2.796 N/A SER 129.A OG PRO 127.A O no hydrogen 3.418 N/A SER 129.A OG GLU 135.A OE1 no hydrogen 2.726 N/A SER 129.A OG GLU 135.A OE2 no hydrogen 2.688 N/A LYS 130.A NZ ASP 132.A OD1 no hydrogen 3.431 N/A GLY 131.A N ASP 128.A O no hydrogen 2.748 N/A SER 134.A N ASP 132.A OD2 no hydrogen 3.315 N/A ARG 137.A N GLN 133.A O no hydrogen 2.797 N/A ARG 137.A NH2 GLU 239.A OE1 no hydrogen 3.141 N/A LEU 138.A N SER 134.A O no hydrogen 2.810 N/A ALA 139.A N GLU 135.A O no hydrogen 2.673 N/A LEU 140.A N HIS 136.A O no hydrogen 2.905 N/A LYS 141.A N ARG 137.A O no hydrogen 2.791 N/A ASN 142.A N LEU 138.A O no hydrogen 2.855 N/A ASN 142.A ND2 TRP 100.A O no hydrogen 3.179 N/A ASN 142.A ND2 ASP 104.A OD2 no hydrogen 2.914 N/A ILE 143.A N ALA 139.A O no hydrogen 3.061 N/A ALA 144.A N LEU 140.A O no hydrogen 2.872 N/A SER 145.A N LYS 141.A O no hydrogen 2.974 N/A SER 145.A OG ASN 142.A O no hydrogen 2.750 N/A MET 146.A N ILE 143.A O no hydrogen 2.831 N/A VAL 147.A N ALA 144.A O no hydrogen 3.251 N/A ARG 148.A N PHE 113.A O no hydrogen 2.501 N/A ARG 148.A NE PRO 149.A O no hydrogen 2.276 N/A GLY 150.A N LYS 273.A O no hydrogen 2.548 N/A GLY 151.A N ARG 148.A O no hydrogen 2.364 N/A LEU 152.A N ASP 114.A O no hydrogen 2.906 N/A LEU 153.A N LEU 271.A O no hydrogen 2.769 N/A VAL 154.A N VAL 116.A O no hydrogen 2.850 N/A ILE 155.A N HIS 269.A O no hydrogen 3.089 N/A HIS 157.A ND1 LYS 158.A O no hydrogen 3.156 N/A LYS 158.A N ASN 121.A OD1 no hydrogen 2.912 N/A ASN 159.A N CYS 265.A O no hydrogen 2.436 N/A ASN 159.A ND2 PRO 264.A O no hydrogen 2.867 N/A ASP 161.A N ASN 159.A OD1 no hydrogen 3.107 N/A TYR 162.A N ASN 159.A OD1 no hydrogen 3.118 N/A ILE 163.A N ASN 159.A O no hydrogen 3.347 N/A LEU 164.A N TYR 160.A O no hydrogen 2.759 N/A SER 165.A N ASP 161.A O no hydrogen 2.961 N/A THR 166.A N TYR 162.A O no hydrogen 2.950 N/A THR 166.A OG1 CYS 168.A O no hydrogen 2.833 N/A GLY 167.A N LEU 164.A O no hydrogen 3.164 N/A CYS 168.A N THR 166.A OG1 no hydrogen 3.072 N/A CYS 168.A SG THR 166.A O no hydrogen 3.040 N/A TYR 176.A OH ASP 156.A OD1 no hydrogen 2.647 N/A TYR 177.A N ASN 174.A OD1 no hydrogen 3.040 N/A TYR 177.A OH GLY 120.A O no hydrogen 2.601 N/A LYS 178.A N ILE 17.A O no hydrogen 3.059 N/A SER 179.A OG LEU 15.A O no hydrogen 2.566 N/A THR 182.A N SER 179.A O no hydrogen 3.345 N/A LYS 183.A NZ ASP 180.A O no hydrogen 2.630 N/A THR 186.A N ASP 202.A O no hydrogen 3.220 N/A THR 186.A OG1 ASP 184.A OD1 no hydrogen 3.357 N/A SER 188.A N THR 200.A O no hydrogen 2.911 N/A LEU 190.A N MET 198.A O no hydrogen 2.859 N/A VAL 192.A N LYS 195.A O no hydrogen 2.980 N/A LYS 195.A N VAL 192.A O no hydrogen 2.986 N/A HIS 197.A N LEU 190.A O no hydrogen 2.972 N/A MET 198.A N LEU 190.A O no hydrogen 3.154 N/A VAL 199.A N TYR 225.A O no hydrogen 2.831 N/A THR 200.A N SER 188.A O no hydrogen 2.784 N/A THR 200.A OG1 SER 224.A OG no hydrogen 2.904 N/A LEU 201.A N LEU 223.A O no hydrogen 2.662 N/A ASP 202.A N THR 186.A O no hydrogen 3.184 N/A TYR 203.A N PHE 221.A O no hydrogen 2.652 N/A TYR 203.A OH TYR 16.A OH no hydrogen 3.367 N/A TYR 203.A OH TYR 225.A OH no hydrogen 3.117 N/A THR 204.A N ASP 184.A O no hydrogen 2.962 N/A THR 204.A OG1 ASP 184.A OD2 no hydrogen 2.789 N/A VAL 205.A N SER 219.A O no hydrogen 2.503 N/A GLN 206.A N LEU 181.A O no hydrogen 2.843 N/A SER 219.A N VAL 205.A O no hydrogen 2.662 N/A SER 219.A OG GLU 8.A OE2 no hydrogen 2.758 N/A LYS 220.A NZ TYR 203.A O no hydrogen 3.421 N/A LYS 220.A NZ THR 204.A OG1 no hydrogen 2.432 N/A LYS 220.A NZ SER 219.A O no hydrogen 3.537 N/A PHE 221.A N TYR 203.A O no hydrogen 3.247 N/A LEU 223.A N LEU 201.A O no hydrogen 2.906 N/A SER 224.A N GLN 3.A OE1 no hydrogen 2.720 N/A SER 224.A OG THR 200.A OG1 no hydrogen 2.904 N/A TYR 225.A N VAL 199.A O no hydrogen 2.734 N/A TYR 225.A OH TYR 203.A OH no hydrogen 3.117 N/A TYR 226.A N ALA 124.A O no hydrogen 2.808 N/A TYR 226.A OH ASP 128.A OD1 no hydrogen 3.224 N/A HIS 228.A N TYR 226.A O no hydrogen 2.996 N/A HIS 228.A NE2 HIS 136.A ND1 no hydrogen 3.157 N/A CYS 229.A SG PRO 227.A O no hydrogen 3.865 N/A LEU 230.A N ASP 161.A OD2 no hydrogen 2.743 N/A PHE 233.A N CYS 229.A O no hydrogen 3.123 N/A THR 234.A N LEU 230.A O no hydrogen 2.866 N/A THR 234.A OG1 LEU 230.A O no hydrogen 3.058 N/A GLU 235.A N ALA 231.A O no hydrogen 3.114 N/A LEU 236.A N SER 232.A O no hydrogen 2.791 N/A VAL 237.A N PHE 233.A O no hydrogen 2.554 N/A GLN 238.A N THR 234.A O no hydrogen 3.010 N/A GLU 239.A N GLU 235.A O no hydrogen 2.755 N/A ALA 240.A N LEU 236.A O no hydrogen 3.185 N/A ALA 240.A N VAL 237.A O no hydrogen 2.890 N/A PHE 241.A N GLN 238.A O no hydrogen 2.687 N/A GLY 242.A N GLU 239.A O no hydrogen 3.021 N/A ARG 244.A N PHE 241.A O no hydrogen 3.306 N/A CYS 245.A N GLY 243.A O no hydrogen 2.868 N/A CYS 245.A SG GLN 238.A O no hydrogen 3.651 N/A GLN 246.A N LYS 272.A O no hydrogen 2.785 N/A LEU 250.A N ILE 268.A O no hydrogen 2.956 N/A GLY 251.A N LYS 254.A O no hydrogen 2.762 N/A TYR 262.A OH ASP 252.A OD2 no hydrogen 2.793 N/A CYS 265.A N ASP 252.A OD1 no hydrogen 2.950 N/A CYS 265.A N ASP 252.A OD2 no hydrogen 3.368 N/A CYS 265.A SG PRO 170.A O no hydrogen 3.988 N/A TYR 266.A N ASP 252.A OD1 no hydrogen 2.849 N/A TYR 266.A OH ASN 174.A OD1 no hydrogen 2.914 N/A PHE 267.A N HIS 157.A O no hydrogen 3.056 N/A HIS 269.A N ILE 155.A O no hydrogen 2.780 N/A VAL 270.A N SER 248.A O no hydrogen 2.683 N/A LEU 271.A N LEU 153.A O no hydrogen 2.769 N/A LYS 272.A N GLN 246.A O no hydrogen 2.980 N/A LYS 272.A NZ GLY 150.A O no hydrogen 3.262 N/A LYS 273.A N GLY 151.A O no hydrogen 3.200 N/A LYS 273.A NZ ALA 144.A O no hydrogen 3.112 N/A LYS 273.A NZ VAL 147.A O no hydrogen 3.257 N/A THR 274.A N ARG 244.A O no hydrogen 3.363 N/A