Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nke_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE GLY 101.A O no hydrogen 3.037 N/A ARG 2.A NH2 TYR 102.A O no hydrogen 3.076 N/A ASP 4.A N ALA 1.A O no hydrogen 3.115 N/A LYS 5.A N ALA 1.A O no hydrogen 3.351 N/A LYS 5.A NZ ALA 100.A O no hydrogen 2.624 N/A LYS 5.A NZ GLU 171.A OE1 no hydrogen 2.739 N/A LEU 6.A N ARG 2.A O no hydrogen 3.129 N/A LEU 7.A N SER 3.A O no hydrogen 2.872 N/A TYR 8.A N ASP 4.A O no hydrogen 3.047 N/A GLN 9.A N LYS 5.A O no hydrogen 2.987 N/A GLN 9.A NE2 ALA 103.A O no hydrogen 2.993 N/A GLN 9.A NE2 ILE 106.A O no hydrogen 2.925 N/A ALA 10.A N LEU 6.A O no hydrogen 2.952 N/A LYS 11.A N LEU 7.A O no hydrogen 2.873 N/A LEU 12.A N TYR 8.A O no hydrogen 3.099 N/A ALA 13.A N GLN 9.A O no hydrogen 3.004 N/A LEU 14.A N ALA 10.A O no hydrogen 3.019 N/A LEU 14.A N LYS 11.A O no hydrogen 3.356 N/A LEU 18.A N ASP 15.A OD1 no hydrogen 3.133 N/A ARG 19.A N ASP 15.A O no hydrogen 2.803 N/A ARG 19.A NH1 GLU 16.A OE1 no hydrogen 3.237 N/A ARG 19.A NH2 PHE 108.A O no hydrogen 3.386 N/A LEU 20.A N GLU 16.A O no hydrogen 3.145 N/A LYS 21.A N ASP 17.A O.A no hydrogen 3.151 N/A LYS 21.A N ASP 17.A O.B no hydrogen 3.057 N/A LYS 21.A NZ GLU 178.A OE1 no hydrogen 2.631 N/A VAL 22.A N LEU 18.A O no hydrogen 3.008 N/A VAL 23.A N ARG 19.A O no hydrogen 2.907 N/A ARG 24.A N LEU 20.A O no hydrogen 2.838 N/A ARG 24.A NH1 ALA 34.A O no hydrogen 3.156 N/A ARG 24.A NH1 PRO 35.A O no hydrogen 2.688 N/A ARG 24.A NH2 ALA 34.A O no hydrogen 2.697 N/A LYS 25.A N LYS 21.A O no hydrogen 3.086 N/A LYS 25.A NZ GLU 27.A OE1 no hydrogen 3.545 N/A GLU 27.A N ARG 24.A O no hydrogen 2.943 N/A LEU 28.A N LYS 25.A O no hydrogen 2.918 N/A ARG 29.A NH2 ARG 29.A O no hydrogen 2.903 N/A PHE 30.A N PHE 26.A O no hydrogen 2.960 N/A GLY 31.A N GLU 27.A O no hydrogen 2.763 N/A ARG 38.A NH2 ARG 37.A O no hydrogen 3.014 N/A SER 39.A N GLN 42.A OE1 no hydrogen 2.915 N/A SER 39.A OG GLN 42.A OE1 no hydrogen 3.345 N/A GLN 42.A N SER 39.A OG no hydrogen 3.079 N/A LEU 43.A N SER 39.A O no hydrogen 2.894 N/A ARG 44.A N VAL 40.A O no hydrogen 2.958 N/A ARG 44.A NE VAL 109.A O no hydrogen 3.368 N/A ARG 44.A NH2 VAL 109.A O no hydrogen 2.934 N/A GLY 45.A N GLU 41.A O no hydrogen 3.085 N/A ILE 46.A N GLN 42.A O no hydrogen 3.029 N/A GLU 47.A N LEU 43.A O no hydrogen 2.868 N/A GLY 48.A N ARG 44.A O no hydrogen 2.893 N/A SER 49.A N.A GLY 45.A O no hydrogen 3.047 N/A SER 49.A N.B GLY 45.A O no hydrogen 2.991 N/A SER 49.A OG.A GLY 45.A O no hydrogen 3.500 N/A SER 49.A OG.A ILE 46.A O no hydrogen 3.150 N/A ARG 50.A N ILE 46.A O no hydrogen 3.058 N/A ARG 50.A NH1 GLU 32.A OE2 no hydrogen 2.898 N/A VAL 51.A N GLU 47.A O no hydrogen 2.863 N/A ARG 52.A N GLY 48.A O no hydrogen 2.961 N/A ALA 53.A N SER 49.A O.A no hydrogen 3.142 N/A ALA 53.A N SER 49.A O.B no hydrogen 3.144 N/A THR 54.A N ARG 50.A O no hydrogen 2.903 N/A THR 54.A OG1 ARG 50.A O no hydrogen 3.012 N/A TYR 55.A N VAL 51.A O no hydrogen 2.956 N/A ALA 56.A N ARG 52.A O no hydrogen 3.125 N/A LEU 57.A N ALA 53.A O no hydrogen 3.058 N/A LEU 58.A N THR 54.A O no hydrogen 2.958 N/A ALA 59.A N TYR 55.A O no hydrogen 2.911 N/A LYS 60.A N ALA 56.A O no hydrogen 3.235 N/A GLN 61.A N LEU 57.A O no hydrogen 2.929 N/A TYR 62.A N LEU 58.A O no hydrogen 3.003 N/A GLY 63.A N LYS 60.A O no hydrogen 3.144 N/A VAL 64.A N ALA 59.A O no hydrogen 2.881 N/A ASN 67.A ND2 ASN 67.A O no hydrogen 3.462 N/A ARG 69.A NH1 SER 83.A OG no hydrogen 2.829 N/A ARG 69.A NH2 ASN 79.A O no hydrogen 3.039 N/A ARG 69.A NH2 ASN 79.A OD1 no hydrogen 2.872 N/A ARG 70.A N ASN 79.A OD1 no hydrogen 2.938 N/A ASP 72.A N LYS 74.A O no hydrogen 3.359 N/A ASN 79.A N ASP 76.A OD1 no hydrogen 2.938 N/A ASN 79.A ND2 ASP 76.A OD1 no hydrogen 2.950 N/A GLN 80.A N ASP 76.A O no hydrogen 2.936 N/A GLN 80.A NE2 GLY 75.A O no hydrogen 2.735 N/A GLN 80.A NE2 ASP 76.A O no hydrogen 3.594 N/A CYS 81.A N THR 77.A O no hydrogen 2.871 N/A CYS 81.A SG THR 77.A O no hydrogen 3.359 N/A ILE 82.A N ILE 78.A O no hydrogen 2.928 N/A SER 83.A N ASN 79.A O no hydrogen 2.997 N/A SER 83.A OG ASN 79.A O no hydrogen 3.218 N/A ALA 84.A N GLN 80.A O no hydrogen 2.898 N/A ALA 85.A N CYS 81.A O no hydrogen 2.968 N/A THR 86.A N ILE 82.A O no hydrogen 2.877 N/A THR 86.A OG1.A ILE 82.A O no hydrogen 3.170 N/A THR 86.A OG1.A SER 83.A O no hydrogen 3.501 N/A THR 86.A OG1.B ILE 82.A O no hydrogen 2.885 N/A SER 87.A N.A SER 83.A O no hydrogen 2.890 N/A SER 87.A N.B SER 83.A O no hydrogen 2.897 N/A SER 87.A OG.B SER 83.A O no hydrogen 3.010 N/A CYS 88.A N ALA 84.A O no hydrogen 3.150 N/A CYS 88.A SG.A ALA 84.A O no hydrogen 3.165 N/A LEU 89.A N ALA 85.A O no hydrogen 3.055 N/A TYR 90.A N THR 86.A O no hydrogen 2.766 N/A GLY 91.A N SER 87.A O.A no hydrogen 3.250 N/A GLY 91.A N SER 87.A O.B no hydrogen 3.140 N/A VAL 92.A N.A CYS 88.A O no hydrogen 3.441 N/A VAL 92.A N.B CYS 88.A O no hydrogen 3.424 N/A THR 93.A N LEU 89.A O no hydrogen 2.873 N/A THR 93.A OG1 LEU 89.A O no hydrogen 2.835 N/A GLU 94.A N TYR 90.A O no hydrogen 2.875 N/A ALA 95.A N GLY 91.A O no hydrogen 3.070 N/A ALA 96.A N VAL 92.A O.A no hydrogen 2.868 N/A ALA 96.A N VAL 92.A O.B no hydrogen 3.109 N/A ILE 97.A N THR 93.A O no hydrogen 2.960 N/A LEU 98.A N GLU 94.A O no hydrogen 2.905 N/A ALA 99.A N ALA 95.A O no hydrogen 2.827 N/A ALA 100.A N ALA 96.A O no hydrogen 3.068 N/A ALA 100.A N ILE 97.A O no hydrogen 3.180 N/A GLY 101.A N LEU 98.A O no hydrogen 2.879 N/A TYR 102.A N ILE 97.A O no hydrogen 3.038 N/A TYR 102.A OH GLU 171.A OE2 no hydrogen 2.654 N/A ALA 103.A N GLN 9.A OE1 no hydrogen 2.846 N/A ILE 106.A N ALA 103.A O no hydrogen 3.240 N/A PHE 108.A N ASP 120.A OD2 no hydrogen 2.738 N/A VAL 109.A N ASP 120.A OD2 no hydrogen 3.100 N/A HIS 110.A N ASP 120.A OD1 no hydrogen 2.799 N/A HIS 110.A ND1 ASP 120.A OD1 no hydrogen 2.648 N/A LYS 113.A N SER 116.A OG no hydrogen 2.940 N/A SER 116.A N LYS 113.A O no hydrogen 3.091 N/A SER 116.A OG LYS 113.A O no hydrogen 3.187 N/A PHE 117.A N PRO 104.A O no hydrogen 2.840 N/A TYR 119.A N LEU 115.A O no hydrogen 2.891 N/A ASP 120.A N SER 116.A O no hydrogen 3.127 N/A ILE 121.A N PHE 117.A O no hydrogen 3.009 N/A ALA 122.A N VAL 118.A O no hydrogen 2.854 N/A ASP 123.A N TYR 119.A O no hydrogen 3.051 N/A ILE 124.A N ILE 121.A O no hydrogen 3.021 N/A ILE 125.A N ALA 122.A O no hydrogen 3.165 N/A LYS 126.A N ALA 122.A O no hydrogen 2.940 N/A LYS 126.A NZ ASP 123.A OD1 no hydrogen 2.919 N/A ASP 128.A N ILE 125.A O no hydrogen 3.082 N/A VAL 131.A N LYS 126.A O no hydrogen 2.914 N/A LYS 133.A N THR 129.A O no hydrogen 2.953 N/A LYS 133.A NZ GLU 136.A OE1 no hydrogen 2.930 N/A ALA 134.A N VAL 130.A O no hydrogen 3.215 N/A PHE 135.A N VAL 131.A O no hydrogen 3.204 N/A GLU 136.A N PRO 132.A O no hydrogen 2.852 N/A ILE 137.A N LYS 133.A O no hydrogen 2.921 N/A ALA 138.A N ALA 134.A O no hydrogen 2.973 N/A ARG 139.A N PHE 135.A O no hydrogen 2.970 N/A ARG 139.A NH1 TYR 62.A O no hydrogen 3.075 N/A ARG 140.A N GLU 136.A O no hydrogen 2.990 N/A ARG 140.A NH1 GLU 136.A OE2 no hydrogen 2.837 N/A ASN 141.A N ILE 137.A O no hydrogen 2.967 N/A GLU 148.A N GLU 144.A O no hydrogen 2.966 N/A VAL 149.A N PRO 145.A O no hydrogen 2.862 N/A ARG 150.A N ASP 146.A O no hydrogen 2.896 N/A LEU 151.A N ARG 147.A O no hydrogen 2.884 N/A ALA 152.A N GLU 148.A O no hydrogen 3.004 N/A CYS 153.A N VAL 149.A O no hydrogen 2.806 N/A CYS 153.A SG VAL 149.A O no hydrogen 3.447 N/A ARG 154.A N ARG 150.A O no hydrogen 2.910 N/A ASP 155.A N LEU 151.A O no hydrogen 3.132 N/A ILE 156.A N ALA 152.A O no hydrogen 2.917 N/A PHE 157.A N CYS 153.A O no hydrogen 2.881 N/A ARG 158.A N ARG 154.A O no hydrogen 2.910 N/A ARG 158.A NH2 ASP 155.A OD1 no hydrogen 2.781 N/A SER 159.A N ASP 155.A O no hydrogen 2.884 N/A SER 159.A OG.A ASP 155.A O no hydrogen 2.727 N/A SER 159.A OG.A ASP 155.A OD2 no hydrogen 3.540 N/A SER 159.A OG.B ASP 155.A O no hydrogen 2.876 N/A SER 159.A OG.B ILE 156.A O no hydrogen 3.506 N/A SER 160.A N ILE 156.A O no hydrogen 2.808 N/A SER 160.A OG ILE 156.A O no hydrogen 2.924 N/A THR 162.A N PHE 157.A O no hydrogen 3.269 N/A LYS 165.A N LYS 161.A O no hydrogen 3.016 N/A LYS 165.A NZ.A SER 160.A O no hydrogen 2.895 N/A LYS 165.A NZ.B SER 160.A O no hydrogen 3.288 N/A LEU 166.A N THR 162.A O no hydrogen 2.876 N/A LEU 166.A N LEU 163.A O no hydrogen 3.129 N/A ILE 167.A N LEU 163.A O no hydrogen 3.318 N/A ILE 170.A N LEU 166.A O no hydrogen 2.866 N/A GLU 171.A N ILE 167.A O no hydrogen 3.105 N/A ASP 172.A N PRO 168.A O no hydrogen 2.859 N/A VAL 173.A N LEU 169.A O no hydrogen 2.913 N/A LEU 174.A N ILE 170.A O no hydrogen 3.130 N/A ALA 175.A N GLU 171.A O no hydrogen 2.822 N/A ALA 176.A N VAL 173.A O no hydrogen 3.282 N/A GLY 177.A N LEU 174.A O no hydrogen 3.074 N/A GLU 178.A N ALA 175.A O no hydrogen 2.972 N/A