Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ndi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 5.A N SER 2.A OG no hydrogen 2.895 N/A HIS 6.A N HIS 3.A O no hydrogen 3.108 N/A HIS 6.A ND1 SER 8.A OG no hydrogen 2.672 N/A SER 8.A N HIS 6.A ND1 no hydrogen 3.244 N/A SER 8.A OG HIS 6.A ND1 no hydrogen 2.672 N/A GLN 9.A N HIS 6.A O no hydrogen 2.931 N/A GLN 9.A NE2 SER 8.A OG no hydrogen 3.054 N/A GLN 9.A NE2 SER 97.A OG no hydrogen 2.873 N/A GLY 10.A N TRP 7.A O no hydrogen 3.178 N/A LYS 12.A N GLN 9.A O no hydrogen 3.086 N/A LYS 12.A NZ SER 49.A OG no hydrogen 3.186 N/A LYS 12.A NZ HIS 98.A ND1 no hydrogen 2.901 N/A ILE 13.A N GLY 10.A O no hydrogen 3.225 N/A SER 14.A N GLY 10.A O no hydrogen 3.094 N/A MET 15.A N LEU 11.A O no hydrogen 2.889 N/A GLN 16.A N ILE 13.A O no hydrogen 3.022 N/A ASP 17.A N SER 14.A O no hydrogen 3.013 N/A LYS 19.A N ASP 17.A OD1 no hydrogen 2.973 N/A MET 20.A N ASP 17.A O no hydrogen 2.830 N/A GLN 21.A N ASP 17.A O no hydrogen 3.197 N/A GLN 21.A N PRO 18.A O no hydrogen 3.326 N/A GLN 21.A NE2 MET 15.A O no hydrogen 2.762 N/A VAL 22.A N VAL 30.A O no hydrogen 2.746 N/A TYR 23.A OH ASP 25.A OD2 no hydrogen 2.567 N/A ASP 25.A N VAL 28.A O no hydrogen 3.008 N/A GLN 27.A N ASP 25.A OD1 no hydrogen 2.851 N/A VAL 28.A N ASP 25.A OD1 no hydrogen 2.846 N/A VAL 29.A N LEU 45.A O no hydrogen 2.802 N/A VAL 30.A N TYR 23.A O no hydrogen 2.896 N/A ILE 31.A N LEU 43.A O no hydrogen 2.916 N/A LYS 32.A N MET 20.A O no hydrogen 3.144 N/A ASP 33.A N HIS 41.A O no hydrogen 2.931 N/A TYR 35.A N ASP 33.A OD1 no hydrogen 2.933 N/A GLN 37.A N HIS 41.A ND1 no hydrogen 2.885 N/A GLN 37.A NE2 CYS 112.A O no hydrogen 2.968 N/A ARG 39.A N ASP 107.A OD2 no hydrogen 2.925 N/A ARG 39.A NE ASP 109.A OD2 no hydrogen 2.772 N/A ARG 39.A NH2 ASP 109.A OD2 no hydrogen 2.896 N/A TYR 40.A N SER 105.A OG no hydrogen 2.947 N/A HIS 41.A NE2 HIS 102.A ND1 no hydrogen 2.897 N/A TRP 42.A N VAL 103.A O no hydrogen 2.839 N/A LEU 43.A N ILE 31.A O no hydrogen 2.908 N/A VAL 44.A N LEU 101.A O no hydrogen 2.901 N/A LEU 45.A N VAL 29.A O no hydrogen 2.821 N/A TRP 47.A N GLN 27.A O no hydrogen 2.920 N/A TRP 47.A NE1 ASP 25.A O no hydrogen 2.806 N/A LYS 54.A N SER 52.A OG no hydrogen 3.087 N/A ALA 55.A N SER 52.A O no hydrogen 2.958 N/A VAL 56.A N LEU 53.A O no hydrogen 3.199 N/A ALA 57.A N HIS 60.A ND1 no hydrogen 3.031 N/A ARG 58.A NE GLN 138.A O no hydrogen 2.893 N/A ARG 58.A NH2 GLN 138.A O no hydrogen 2.973 N/A HIS 60.A N ALA 57.A O no hydrogen 2.871 N/A LEU 61.A N ARG 58.A O no hydrogen 2.989 N/A LEU 64.A N HIS 60.A O no hydrogen 2.936 N/A LYS 65.A N LEU 61.A O no hydrogen 3.069 N/A LYS 65.A NZ GLN 138.A OE1 no hydrogen 2.898 N/A HIS 66.A N GLU 62.A O no hydrogen 2.850 N/A HIS 66.A NE2 ASP 25.A OD2 no hydrogen 2.719 N/A MET 67.A N LEU 63.A O no hydrogen 2.851 N/A HIS 68.A N LEU 64.A O no hydrogen 3.134 N/A HIS 68.A ND1 SER 130.A OG no hydrogen 2.768 N/A HIS 68.A NE2 GLU 72.A OE2 no hydrogen 3.230 N/A THR 69.A N LYS 65.A O no hydrogen 2.996 N/A THR 69.A OG1.A LYS 65.A O no hydrogen 3.547 N/A THR 69.A OG1.A HIS 66.A O no hydrogen 2.817 N/A THR 69.A OG1.B LYS 65.A O no hydrogen 2.981 N/A VAL 70.A N HIS 66.A O no hydrogen 2.836 N/A GLY 71.A N MET 67.A O no hydrogen 2.908 N/A GLU 72.A N HIS 68.A O no hydrogen 2.956 N/A LYS 73.A N THR 69.A O no hydrogen 2.996 N/A LYS 73.A NZ ASP 77.A OD2 no hydrogen 3.085 N/A VAL 74.A N VAL 70.A O no hydrogen 2.939 N/A ILE 75.A N GLY 71.A O no hydrogen 3.145 N/A VAL 76.A N GLU 72.A O no hydrogen 3.138 N/A ASP 77.A N LYS 73.A O no hydrogen 2.877 N/A PHE 78.A N VAL 74.A O no hydrogen 2.846 N/A ALA 79.A N ILE 75.A O no hydrogen 2.735 N/A GLY 80.A N VAL 76.A O no hydrogen 3.073 N/A SER 82.A N ALA 79.A O no hydrogen 3.038 N/A LEU 84.A N SER 82.A OG no hydrogen 3.020 N/A ARG 85.A NH2.A GLU 161.A OE2 no hydrogen 3.351 N/A ARG 87.A N ILE 104.A O no hydrogen 3.015 N/A ARG 87.A NE GLU 129.A OE2 no hydrogen 2.881 N/A ARG 87.A NH2 GLU 129.A OE2 no hydrogen 2.870 N/A GLY 89.A N HIS 102.A O no hydrogen 2.972 N/A TYR 90.A N LEU 128.A O no hydrogen 2.818 N/A ALA 92.A N TYR 126.A O no hydrogen 2.775 N/A SER 97.A N SER 8.A O no hydrogen 2.899 N/A SER 97.A OG SER 8.A O no hydrogen 3.566 N/A HIS 98.A N SER 51.A O no hydrogen 2.942 N/A HIS 98.A NE2 PRO 46.A O no hydrogen 2.714 N/A VAL 99.A N ILE 50.A O no hydrogen 2.767 N/A HIS 100.A ND1 HIS 98.A O no hydrogen 2.687 N/A LEU 101.A N VAL 44.A O no hydrogen 2.861 N/A HIS 102.A N GLY 89.A O no hydrogen 2.819 N/A HIS 102.A ND1 HIS 41.A NE2 no hydrogen 2.897 N/A VAL 103.A N TRP 42.A O no hydrogen 2.848 N/A ILE 104.A N ARG 87.A O no hydrogen 3.018 N/A SER 105.A N TYR 40.A O no hydrogen 2.894 N/A SER 105.A OG TYR 40.A O no hydrogen 3.313 N/A SER 105.A OG ASP 107.A OD1 no hydrogen 2.599 N/A GLN 106.A N ARG 85.A O no hydrogen 2.894 N/A GLN 106.A NE2 ILE 104.A O no hydrogen 3.183 N/A ASP 109.A N ASP 107.A OD2 no hydrogen 2.729 N/A SER 110.A OG PRO 36.A O no hydrogen 2.595 N/A CYS 112.A N SER 110.A OG no hydrogen 3.109 N/A LEU 113.A N SER 110.A O no hydrogen 3.204 N/A LYS 114.A N HIS 118.A ND1 no hydrogen 3.088 N/A ASN 115.A N HIS 118.A ND1 no hydrogen 3.279 N/A HIS 118.A N ASN 115.A OD1 no hydrogen 2.932 N/A TRP 119.A N ASN 115.A O no hydrogen 3.195 N/A TRP 119.A NE1 ARG 158.A O no hydrogen 3.021 N/A ASN 120.A N LYS 116.A O no hydrogen 2.863 N/A ASN 120.A ND2 LEU 153.A O no hydrogen 3.106 N/A ASN 120.A ND2 LEU 155.A O no hydrogen 2.883 N/A SER 121.A N LYS 117.A O no hydrogen 2.852 N/A SER 121.A OG HIS 91.A NE2 no hydrogen 3.360 N/A SER 121.A OG LYS 117.A O no hydrogen 3.397 N/A SER 121.A OG HIS 118.A O no hydrogen 2.985 N/A PHE 122.A N TRP 119.A O no hydrogen 3.109 N/A ASN 123.A N ASN 120.A O no hydrogen 3.345 N/A ASN 123.A ND2 TRP 119.A O no hydrogen 3.106 N/A THR 124.A OG1 ASN 120.A O no hydrogen 2.749 N/A TYR 126.A N THR 124.A OG1 no hydrogen 3.068 N/A TYR 126.A OH ILE 93.A O no hydrogen 3.039 N/A PHE 127.A N THR 124.A O no hydrogen 2.964 N/A LEU 128.A N TYR 90.A O no hydrogen 2.644 N/A SER 130.A N LEU 88.A O no hydrogen 2.898 N/A SER 130.A OG HIS 68.A ND1 no hydrogen 2.768 N/A GLN 131.A NE2.B GLU 135.A OE2 no hydrogen 2.800 N/A VAL 133.A N GLU 129.A O no hydrogen 2.994 N/A ILE 134.A N SER 130.A O no hydrogen 2.850 N/A GLU 135.A N GLN 131.A O no hydrogen 2.906 N/A MET 136.A N ALA 132.A O no hydrogen 2.976 N/A VAL 137.A N VAL 133.A O no hydrogen 2.946 N/A GLN 138.A N ILE 134.A O no hydrogen 2.948 N/A GLU 139.A N GLU 135.A O no hydrogen 2.920 N/A ALA 140.A N MET 136.A O no hydrogen 2.780 N/A GLY 141.A N VAL 137.A O no hydrogen 2.815 N/A ARG 146.A NE GLU 125.A OE1 no hydrogen 2.784 N/A LEU 152.A N MET 149.A O no hydrogen 3.040 N/A LEU 153.A N PRO 150.A O no hydrogen 3.129 N/A LYS 154.A N GLU 151.A O no hydrogen 3.065 N/A LEU 155.A N LEU 152.A O no hydrogen 3.241 N/A ARG 158.A NH1 GLN 163.A O no hydrogen 2.908 N/A CYS 159.A N GLN 164.A O no hydrogen 2.813 N/A CYS 159.A SG HIS 175.A NE2 no hydrogen 3.500 N/A CYS 159.A SG HIS 179.A NE2 no hydrogen 3.382 N/A HIS 160.A NE2 GLN 106.A O no hydrogen 2.688 N/A CYS 162.A SG HIS 175.A NE2 no hydrogen 3.335 N/A CYS 162.A SG HIS 179.A NE2 no hydrogen 3.721 N/A GLN 163.A N CYS 159.A O no hydrogen 2.996 N/A GLN 163.A NE2 HIS 160.A O no hydrogen 3.493 N/A LEU 166.A N LEU 157.A O no hydrogen 2.975 N/A GLN 171.A N SER 168.A OG no hydrogen 3.227 N/A LEU 172.A N SER 168.A O no hydrogen 2.876 N/A LYS 173.A N ILE 169.A O no hydrogen 2.849 N/A LYS 173.A NZ LEU 113.A O no hydrogen 2.954 N/A GLU 174.A N PRO 170.A O no hydrogen 3.030 N/A HIS 175.A N GLN 171.A O no hydrogen 2.956 N/A LEU 176.A N LEU 172.A O no hydrogen 2.947 N/A ARG 177.A N GLU 174.A O no hydrogen 3.268 N/A ARG 177.A NH2.B GLU 174.A OE1 no hydrogen 3.482 N/A LYS 178.A N HIS 175.A O no hydrogen 3.068 N/A HIS 179.A N LEU 176.A O no hydrogen 2.878 N/A HIS 179.A NE2 HIS 175.A NE2 no hydrogen 3.256 N/A TRP 180.A N ARG 177.A O no hydrogen 3.204 N/A