Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7ncd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N GLU 56.A OE1 no hydrogen 3.279 N/A LEU 7.A N PRO 4.A O no hydrogen 3.132 N/A ARG 11.A NH1 HIS 41.A O no hydrogen 3.456 N/A VAL 13.A N LEU 67.A O no hydrogen 2.707 N/A LEU 14.A N ASP 42.A O no hydrogen 2.920 N/A PHE 15.A N ALA 65.A O no hydrogen 2.743 N/A VAL 16.A N TYR 44.A O no hydrogen 2.878 N/A LYS 18.A NZ GLU 233.A OE2 no hydrogen 2.694 N/A LYS 18.A NZ TYR 234.A OH no hydrogen 2.827 N/A GLY 19.A N PHE 227.A O no hydrogen 2.894 N/A THR 20.A N SER 23.A OG no hydrogen 2.708 N/A THR 20.A OG1 SER 23.A OG no hydrogen 3.021 N/A SER 23.A OG LYS 18.A O no hydrogen 2.798 N/A SER 23.A OG THR 20.A OG1 no hydrogen 3.021 N/A THR 24.A OG1 THR 20.A O no hydrogen 3.345 N/A HIS 25.A ND1 PRO 184.A O no hydrogen 3.029 N/A THR 27.A OG1 THR 24.A O no hydrogen 3.351 N/A VAL 28.A N THR 24.A O no hydrogen 2.965 N/A LYS 29.A N ASP 26.A O no hydrogen 3.184 N/A LYS 29.A NZ ASP 26.A OD1 no hydrogen 3.172 N/A LYS 29.A NZ HIS 117.A NE2 no hydrogen 2.979 N/A LYS 29.A NZ ALA 181.A O no hydrogen 3.197 N/A ILE 32.A N VAL 28.A O no hydrogen 2.814 N/A LEU 33.A N LYS 29.A O no hydrogen 3.398 N/A LEU 34.A N PRO 30.A O no hydrogen 2.884 N/A GLU 35.A N LEU 31.A O no hydrogen 2.969 N/A GLU 36.A N ILE 32.A O no hydrogen 2.793 N/A LEU 37.A N LEU 33.A O no hydrogen 3.012 N/A VAL 39.A N LEU 34.A O no hydrogen 2.930 N/A HIS 41.A ND1 VAL 39.A O no hydrogen 2.823 N/A ASP 42.A N LEU 12.A O no hydrogen 2.812 N/A TYR 44.A N LEU 14.A O no hydrogen 2.918 N/A TYR 44.A OH ASP 6.A OD2 no hydrogen 2.786 N/A VAL 45.A N GLY 235.A O no hydrogen 3.005 N/A VAL 46.A N VAL 16.A O no hydrogen 2.797 N/A ALA 51.A N LYS 48.A O no hydrogen 3.095 N/A PHE 54.A N ALA 51.A O no hydrogen 2.906 N/A SER 55.A N ALA 51.A O no hydrogen 3.411 N/A SER 55.A OG PRO 52.A O no hydrogen 2.939 N/A ILE 57.A N PHE 54.A O no hydrogen 2.870 N/A ASN 58.A N PHE 54.A O no hydrogen 2.866 N/A ASN 58.A ND2 MET 62.A O no hydrogen 2.731 N/A HIS 60.A N ASN 58.A OD1 no hydrogen 2.963 N/A HIS 60.A ND1 GLU 81.A OE2 no hydrogen 2.861 N/A LYS 61.A N ASN 58.A O no hydrogen 2.935 N/A ILE 66.A N ALA 79.A O no hydrogen 2.652 N/A LEU 67.A N VAL 13.A O no hydrogen 3.107 N/A ASP 68.A N LEU 77.A O no hydrogen 3.037 N/A ARG 69.A N ASP 68.A OD2 no hydrogen 2.854 N/A SER 70.A N ASP 75.A O no hydrogen 2.763 N/A SER 70.A OG ASP 72.A OD2 no hydrogen 2.857 N/A SER 70.A OG ASP 75.A O no hydrogen 3.017 N/A GLY 73.A N SER 70.A O no hydrogen 2.817 N/A ARG 74.A N ASP 72.A OD2 no hydrogen 2.701 N/A ARG 74.A NH1 ASP 72.A OD1 no hydrogen 2.873 N/A ASP 75.A N SER 70.A OG no hydrogen 3.020 N/A THR 76.A N ASP 75.A OD2 no hydrogen 2.833 N/A LEU 77.A N ASP 68.A O no hydrogen 2.799 N/A ARG 78.A NH2 ILE 57.A O no hydrogen 3.169 N/A ALA 79.A N ILE 66.A O no hydrogen 2.953 N/A SER 82.A OG ASP 26.A OD1 no hydrogen 3.303 N/A THR 83.A OG1 THR 118.A OG1 no hydrogen 2.761 N/A THR 85.A N GLU 81.A O no hydrogen 3.061 N/A THR 85.A OG1 SER 82.A O no hydrogen 2.474 N/A LEU 86.A N SER 82.A O no hydrogen 3.129 N/A MET 87.A N THR 83.A O no hydrogen 3.012 N/A TYR 88.A N SER 84.A O no hydrogen 2.811 N/A TYR 88.A OH ASP 68.A OD1 no hydrogen 2.507 N/A ILE 89.A N THR 85.A O no hydrogen 3.106 N/A ALA 90.A N LEU 86.A O no hydrogen 3.072 N/A ASP 91.A N MET 87.A O no hydrogen 2.922 N/A ALA 92.A N TYR 88.A O no hydrogen 2.796 N/A TYR 93.A N ILE 89.A O no hydrogen 2.845 N/A TYR 93.A OH ASP 68.A OD1 no hydrogen 2.589 N/A ASP 94.A N ALA 90.A O no hydrogen 2.945 N/A LYS 95.A NZ ASP 91.A O no hydrogen 3.464 N/A GLY 97.A N ASP 94.A O no hydrogen 3.104 N/A THR 98.A N ASP 94.A OD1 no hydrogen 2.951 N/A PHE 99.A N ASP 94.A OD2 no hydrogen 2.668 N/A GLY 100.A N ASP 94.A OD2 no hydrogen 2.864 N/A GLY 101.A N GLY 97.A O no hydrogen 2.920 N/A ARG 102.A N GLU 106.A OE2 no hydrogen 2.721 N/A ARG 102.A NE ASP 96.A O no hydrogen 3.019 N/A ARG 102.A NH2 THR 98.A OG1 no hydrogen 3.256 N/A GLU 106.A N ASN 103.A OD1 no hydrogen 2.869 N/A ARG 107.A N ASN 103.A O no hydrogen 3.042 N/A ARG 107.A NH2 GLY 101.A O no hydrogen 3.303 N/A SER 108.A N VAL 104.A O no hydrogen 2.951 N/A SER 108.A N GLN 105.A O no hydrogen 3.192 N/A SER 108.A OG GLN 105.A O no hydrogen 2.466 N/A ILE 110.A N GLU 106.A O no hydrogen 2.955 N/A ASN 111.A N ARG 107.A O no hydrogen 2.891 N/A ASN 112.A N SER 108.A O no hydrogen 3.153 N/A ASN 112.A ND2 GLU 109.A OE2 no hydrogen 3.364 N/A TRP 113.A N GLU 109.A O no hydrogen 3.093 N/A TRP 113.A NE1 GLU 109.A OE1 no hydrogen 3.093 N/A LEU 114.A N ILE 110.A O no hydrogen 2.860 N/A THR 115.A N ASN 111.A O no hydrogen 2.884 N/A THR 115.A OG1 ASN 111.A O no hydrogen 2.620 N/A LEU 116.A N ASN 112.A O no hydrogen 2.941 N/A HIS 117.A N TRP 113.A O no hydrogen 3.236 N/A THR 118.A N LEU 114.A O no hydrogen 2.960 N/A THR 118.A OG1 THR 83.A OG1 no hydrogen 2.761 N/A THR 118.A OG1 LEU 114.A O no hydrogen 2.683 N/A ALA 119.A N THR 115.A O no hydrogen 2.781 N/A ALA 120.A N LEU 116.A O no hydrogen 2.880 N/A GLY 122.A N HIS 117.A O no hydrogen 2.853 N/A THR 124.A N ALA 120.A O no hydrogen 3.085 N/A THR 124.A OG1 ALA 120.A O no hydrogen 2.871 N/A ALA 125.A N LEU 121.A O no hydrogen 2.804 N/A LYS 126.A N GLY 122.A O no hydrogen 2.976 N/A LYS 126.A NZ ASP 26.A OD1 no hydrogen 2.966 N/A TYR 127.A N PRO 123.A O no hydrogen 2.950 N/A TRP 128.A N THR 124.A O no hydrogen 2.956 N/A LEU 129.A N ALA 125.A O no hydrogen 2.922 N/A TYR 130.A N LYS 126.A O no hydrogen 2.955 N/A TYR 130.A OH HIS 135.A ND1 no hydrogen 2.785 N/A PHE 131.A N TYR 127.A O no hydrogen 2.983 N/A TYR 132.A N TRP 128.A O no hydrogen 2.910 N/A LYS 133.A N LEU 129.A O no hydrogen 2.961 N/A LEU 134.A N TYR 130.A O no hydrogen 2.747 N/A HIS 135.A N TYR 130.A O no hydrogen 2.775 N/A HIS 135.A ND1 TYR 130.A OH no hydrogen 2.785 N/A LYS 138.A NZ TYR 132.A O no hydrogen 2.656 N/A ILE 143.A N LEU 139.A O no hydrogen 3.119 N/A GLU 144.A N PRO 140.A O no hydrogen 2.945 N/A LYS 145.A N LYS 141.A O no hydrogen 3.165 N/A LEU 146.A N THR 142.A O no hydrogen 3.081 N/A ARG 147.A N.A ILE 143.A O no hydrogen 2.953 N/A ARG 147.A N.B ILE 143.A O no hydrogen 2.955 N/A ARG 147.A NE.A GLU 144.A OE1 no hydrogen 2.974 N/A ARG 147.A NH2.A GLU 144.A OE1 no hydrogen 2.725 N/A SER 148.A N GLU 144.A O no hydrogen 2.885 N/A ASN 149.A N LYS 145.A O no hydrogen 2.890 N/A ILE 150.A N LEU 146.A O no hydrogen 2.965 N/A THR 151.A N ARG 147.A O.A no hydrogen 3.260 N/A THR 151.A N ARG 147.A O.B no hydrogen 3.270 N/A THR 151.A OG1 SER 148.A O no hydrogen 2.462 N/A VAL 152.A N SER 148.A O no hydrogen 3.249 N/A GLN 153.A N ASN 149.A O no hydrogen 3.165 N/A TYR 154.A N ILE 150.A O no hydrogen 2.943 N/A TYR 154.A OH PHE 185.A O no hydrogen 2.631 N/A ASP 155.A N THR 151.A O no hydrogen 2.915 N/A ILE 156.A N VAL 152.A O no hydrogen 3.069 N/A LEU 157.A N GLN 153.A O no hydrogen 3.067 N/A GLU 158.A N TYR 154.A O no hydrogen 2.863 N/A ARG 159.A N ASP 155.A O no hydrogen 2.963 N/A ARG 160.A N ILE 156.A O no hydrogen 3.092 N/A ARG 160.A NE LEU 169.A O no hydrogen 2.644 N/A ARG 160.A NH1 GLU 163.A OE1 no hydrogen 2.860 N/A ARG 160.A NH2 LEU 169.A O no hydrogen 3.373 N/A ARG 160.A NH2 ALA 170.A O no hydrogen 2.860 N/A LEU 161.A N LEU 157.A O no hydrogen 3.035 N/A ASN 162.A N ARG 159.A O no hydrogen 3.189 N/A ASN 162.A ND2 GLU 158.A O no hydrogen 2.784 N/A ASN 162.A ND2 GLU 158.A OE1 no hydrogen 2.998 N/A GLU 163.A N ARG 160.A O no hydrogen 3.233 N/A GLN 166.A N GLU 163.A O no hydrogen 3.142 N/A GLN 166.A NE2 TYR 168.A O no hydrogen 2.931 N/A GLN 166.A NE2 ALA 170.A O no hydrogen 3.251 N/A GLN 167.A N GLY 165.A O no hydrogen 3.060 N/A LEU 169.A N ASP 179.A OD2 no hydrogen 2.835 N/A ARG 174.A NE THR 98.A O no hydrogen 2.686 N/A ARG 174.A NH1 GLY 97.A O no hydrogen 3.073 N/A ARG 174.A NH1 THR 98.A O no hydrogen 3.454 N/A ARG 174.A NH1 GLU 106.A OE2 no hydrogen 2.865 N/A ARG 174.A NH2 GLU 106.A OE1 no hydrogen 3.098 N/A ARG 174.A NH2 ASP 173.A OD1 no hydrogen 3.092 N/A THR 176.A N ASP 179.A OD1 no hydrogen 2.862 N/A THR 176.A OG1 ASP 179.A OD1 no hydrogen 3.200 N/A ILE 177.A N PHE 99.A O no hydrogen 3.053 N/A ILE 180.A N THR 176.A O no hydrogen 3.117 N/A ALA 181.A N ILE 177.A O no hydrogen 2.933 N/A THR 182.A N ALA 178.A O no hydrogen 3.216 N/A THR 182.A OG1 ALA 178.A O no hydrogen 2.763 N/A LEU 183.A N ASP 179.A O no hydrogen 3.015 N/A PHE 185.A N THR 182.A O no hydrogen 3.011 N/A ALA 186.A N LEU 183.A O no hydrogen 2.959 N/A LYS 188.A NZ GLU 199.A OE1 no hydrogen 2.694 N/A LYS 188.A NZ GLU 199.A OE2 no hydrogen 3.565 N/A THR 190.A OG1 PRO 184.A O no hydrogen 2.719 N/A ALA 191.A N MET 187.A O no hydrogen 2.939 N/A GLU 192.A N LYS 188.A O no hydrogen 2.889 N/A LEU 193.A N SER 189.A O no hydrogen 2.988 N/A PHE 194.A N THR 190.A O no hydrogen 3.037 N/A GLY 195.A N GLU 192.A O no hydrogen 2.844 N/A LEU 196.A N ALA 191.A O no hydrogen 2.783 N/A LYS 200.A N GLU 197.A O no hydrogen 3.189 N/A TRP 201.A N PHE 198.A O no hydrogen 3.110 N/A TRP 201.A NE1 ASP 155.A OD2 no hydrogen 3.036 N/A LYS 203.A N GLU 158.A OE1 no hydrogen 2.961 N/A LEU 204.A N GLU 158.A OE2 no hydrogen 2.730 N/A GLN 205.A N TRP 201.A O no hydrogen 2.876 N/A GLU 206.A N PRO 202.A O no hydrogen 2.946 N/A TRP 207.A N LYS 203.A O no hydrogen 2.930 N/A TRP 207.A NE1 ASP 179.A OD2 no hydrogen 2.998 N/A SER 208.A N LEU 204.A O no hydrogen 2.975 N/A SER 208.A OG GLN 205.A O no hydrogen 2.537 N/A VAL 209.A N GLN 205.A O no hydrogen 3.042 N/A ARG 210.A N GLU 206.A O no hydrogen 2.928 N/A ARG 210.A NE GLN 167.A O no hydrogen 3.369 N/A ARG 210.A NH2 GLN 167.A O no hydrogen 2.727 N/A MET 211.A N TRP 207.A O no hydrogen 2.942 N/A GLY 212.A N SER 208.A O no hydrogen 2.902 N/A GLU 213.A N VAL 209.A O no hydrogen 2.939 N/A ARG 214.A N MET 211.A O no hydrogen 3.084 N/A ARG 214.A NE GLU 36.A OE1 no hydrogen 2.799 N/A ARG 214.A NH2 GLU 36.A OE1 no hydrogen 3.525 N/A ARG 214.A NH2 GLU 36.A OE2 no hydrogen 3.116 N/A LYS 218.A N ARG 214.A O no hydrogen 3.119 N/A ARG 219.A N GLU 215.A O no hydrogen 2.912 N/A ARG 219.A NE GLU 35.A OE2 no hydrogen 3.035 N/A ARG 219.A NH2 GLU 35.A O no hydrogen 3.436 N/A ALA 220.A N ALA 216.A O no hydrogen 2.964 N/A TRP 221.A N VAL 217.A O no hydrogen 3.016 N/A GLN 222.A N LYS 218.A O no hydrogen 2.966 N/A ARG 223.A N ARG 219.A O no hydrogen 2.928 N/A ARG 223.A NH1 GLU 35.A OE1 no hydrogen 2.765 N/A ARG 223.A NH1 HIS 41.A NE2 no hydrogen 3.072 N/A ARG 223.A NH2 HIS 41.A NE2 no hydrogen 3.553 N/A VAL 224.A N ALA 220.A O no hydrogen 2.835 N/A GLY 226.A N ARG 223.A O no hydrogen 3.085 N/A HIS 229.A N GLY 226.A O no hydrogen 3.059 N/A HIS 229.A NE2 GLY 19.A O no hydrogen 2.621 N/A LYS 232.A NZ ASP 6.A OD1 no hydrogen 3.092 N/A LYS 232.A NZ MET 236.A O no hydrogen 2.645 N/A GLY 235.A N VAL 45.A O no hydrogen 2.805 N/A MET 236.A N ASP 6.A OD1 no hydrogen 2.861 N/A LEU 237.A N ILE 43.A O no hydrogen 2.972 N/A