Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4aup_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A OG SER 1.A O no hydrogen 3.438 N/A ASP 5.A N SER 1.A O no hydrogen 3.244 N/A THR 6.A N PRO 2.A O no hydrogen 3.151 N/A THR 6.A OG1 PRO 2.A O no hydrogen 2.707 N/A ASP 7.A N VAL 3.A O no hydrogen 3.093 N/A ARG 8.A N SER 4.A O no hydrogen 3.039 N/A LEU 9.A N ASP 5.A O no hydrogen 3.074 N/A LEU 10.A N THR 6.A O no hydrogen 2.868 N/A TYR 11.A N ASP 7.A O no hydrogen 2.910 N/A TYR 11.A OH TYR 63.A OH no hydrogen 3.121 N/A SER 12.A N ARG 8.A O no hydrogen 3.102 N/A THR 13.A OG1 ARG 8.A O no hydrogen 2.667 N/A PHE 18.A N ALA 14.A O no hydrogen 3.096 N/A LEU 19.A N MET 15.A O no hydrogen 2.902 N/A THR 20.A N PRO 16.A O no hydrogen 2.985 N/A THR 20.A OG1 PRO 16.A O no hydrogen 2.945 N/A ALA 21.A N ALA 17.A O no hydrogen 3.003 N/A LYS 22.A N PHE 18.A O no hydrogen 2.906 N/A LYS 22.A NZ TRP 32.A O no hydrogen 2.893 N/A LYS 22.A NZ ASP 34.A OD1 no hydrogen 2.673 N/A ARG 23.A N LEU 19.A O no hydrogen 2.869 N/A ASN 24.A N THR 20.A O no hydrogen 2.973 N/A ASN 24.A ND2 THR 20.A O no hydrogen 2.919 N/A LYS 25.A N LYS 22.A O no hydrogen 2.893 N/A ASN 26.A N ALA 21.A O no hydrogen 2.802 N/A LEU 30.A N PRO 27.A O no hydrogen 3.306 N/A ASP 31.A N ASN 62.A OD1 no hydrogen 2.854 N/A TRP 32.A NE1 PRO 27.A O no hydrogen 3.298 N/A SER 33.A N ASP 31.A OD1 no hydrogen 3.148 N/A SER 33.A OG ASP 31.A OD1 no hydrogen 2.526 N/A GLY 36.A N ASP 34.A OD2 no hydrogen 2.892 N/A CYS 37.A N ASP 42.A OD1 no hydrogen 2.959 N/A CYS 37.A SG PRO 41.A O no hydrogen 3.879 N/A CYS 37.A SG PHE 49.A O no hydrogen 3.655 N/A GLY 46.A N ARG 43.A O no hydrogen 2.975 N/A PHE 47.A N PRO 44.A O no hydrogen 2.986 N/A PHE 49.A N ASP 42.A O no hydrogen 3.167 N/A CYS 53.A N PHE 49.A O no hydrogen 2.970 N/A CYS 53.A SG PHE 49.A O no hydrogen 3.359 N/A LYS 54.A N LEU 50.A O no hydrogen 2.748 N/A ARG 55.A N ASP 51.A O no hydrogen 3.100 N/A ARG 55.A NE ASP 84.A OD2 no hydrogen 2.769 N/A ARG 55.A NH1 LEU 9.A O no hydrogen 2.821 N/A ARG 55.A NH1 THR 13.A O no hydrogen 2.719 N/A ARG 55.A NH2 THR 13.A O no hydrogen 3.155 N/A ARG 55.A NH2 ASP 84.A OD1 no hydrogen 2.806 N/A HIS 56.A N SER 52.A O no hydrogen 2.755 N/A HIS 56.A NE2 ASP 78.A OD1 no hydrogen 2.643 N/A ASP 57.A N CYS 53.A O no hydrogen 2.689 N/A PHE 58.A N LYS 54.A O no hydrogen 2.908 N/A GLY 59.A N ARG 55.A O no hydrogen 2.985 N/A TYR 60.A N HIS 56.A O no hydrogen 3.031 N/A TYR 60.A OH ASP 78.A OD1 no hydrogen 2.647 N/A TYR 60.A OH ASP 78.A OD2 no hydrogen 3.359 N/A ARG 61.A N ASP 57.A O no hydrogen 2.761 N/A ARG 61.A NH1 SER 33.A OG no hydrogen 3.231 N/A ASN 62.A N PHE 58.A O no hydrogen 3.078 N/A ASN 62.A ND2 ASP 31.A O no hydrogen 2.707 N/A ASN 62.A ND2 PHE 58.A O no hydrogen 2.897 N/A TYR 63.A N GLY 59.A O no hydrogen 3.011 N/A TYR 63.A OH ASP 7.A OD1 no hydrogen 2.677 N/A LYS 64.A N TYR 60.A O no hydrogen 2.975 N/A LYS 65.A N ARG 61.A O no hydrogen 3.066 N/A LYS 65.A NZ ASP 31.A OD2 no hydrogen 2.775 N/A GLN 66.A N ASN 62.A O no hydrogen 2.825 N/A GLN 66.A NE2 THR 6.A OG1 no hydrogen 2.938 N/A ARG 68.A N TYR 63.A O no hydrogen 3.375 N/A ARG 68.A NE GLN 66.A OE1 no hydrogen 3.001 N/A ARG 68.A NH1 ASP 7.A OD1 no hydrogen 3.276 N/A ARG 68.A NH1 ASP 7.A OD2 no hydrogen 3.182 N/A ARG 68.A NH2 ASP 7.A OD1 no hydrogen 3.018 N/A ARG 68.A NH2 GLN 66.A OE1 no hydrogen 2.801 N/A THR 70.A N ARG 68.A O no hydrogen 2.812 N/A ASN 73.A N THR 70.A OG1 no hydrogen 3.121 N/A ASN 73.A ND2 ARG 68.A O no hydrogen 2.730 N/A ARG 74.A N THR 70.A O no hydrogen 2.898 N/A ARG 74.A NH2 ARG 115.A O no hydrogen 2.673 N/A LYS 75.A N GLU 71.A O no hydrogen 3.138 N/A LYS 75.A NZ ASP 79.A OD1 no hydrogen 3.420 N/A LYS 75.A NZ ASP 79.A OD2 no hydrogen 2.828 N/A ARG 76.A N ALA 72.A O no hydrogen 3.348 N/A ILE 77.A N ASN 73.A O no hydrogen 3.059 N/A ASP 78.A N ARG 74.A O no hydrogen 2.842 N/A ASP 79.A N LYS 75.A O no hydrogen 2.780 N/A ASN 80.A N ARG 76.A O no hydrogen 3.038 N/A PHE 81.A N ILE 77.A O no hydrogen 3.068 N/A LYS 82.A N ASP 78.A O no hydrogen 3.090 N/A LYS 83.A N ASP 79.A O no hydrogen 2.990 N/A ASP 84.A N ASN 80.A O no hydrogen 2.917 N/A LEU 85.A N PHE 81.A O no hydrogen 2.829 N/A TYR 86.A N LYS 82.A O no hydrogen 2.802 N/A TYR 86.A OH ASN 108.A OD1 no hydrogen 2.584 N/A ASN 87.A N LYS 83.A O no hydrogen 2.931 N/A GLU 88.A N ASP 84.A O no hydrogen 3.133 N/A CYS 89.A N LEU 85.A O no hydrogen 3.023 N/A CYS 89.A SG LEU 85.A O no hydrogen 3.277 N/A ALA 90.A N TYR 86.A O no hydrogen 2.989 N/A LYS 91.A N GLU 88.A O no hydrogen 3.075 N/A LYS 91.A NZ GLU 88.A OE1 no hydrogen 2.757 N/A TYR 92.A N CYS 89.A O no hydrogen 3.238 N/A GLY 100.A N GLU 96.A O no hydrogen 2.824 N/A ALA 102.A N TRP 98.A O no hydrogen 2.880 N/A CYS 103.A N LYS 99.A O no hydrogen 2.716 N/A ARG 104.A N GLY 100.A O no hydrogen 2.960 N/A LYS 105.A N VAL 101.A O no hydrogen 3.174 N/A ILE 106.A N ALA 102.A O no hydrogen 3.148 N/A ALA 107.A N CYS 103.A O no hydrogen 2.785 N/A ASN 108.A N ARG 104.A O no hydrogen 2.875 N/A THR 109.A N LYS 105.A O no hydrogen 3.333 N/A THR 109.A OG1 ILE 106.A O no hydrogen 2.931 N/A TYR 110.A N ILE 106.A O no hydrogen 2.919 N/A TYR 110.A OH PRO 41.A O no hydrogen 2.535 N/A TYR 111.A N ALA 107.A O no hydrogen 2.893 N/A TYR 111.A OH ASP 79.A OD1 no hydrogen 2.748 N/A ASP 112.A N ASN 108.A O no hydrogen 2.775 N/A ALA 113.A N THR 109.A O no hydrogen 2.988 N/A VAL 114.A N TYR 110.A O no hydrogen 3.153 N/A ARG 115.A N TYR 111.A O no hydrogen 2.977 N/A ARG 115.A NH1 ASP 78.A OD2 no hydrogen 2.853 N/A THR 116.A N ASP 112.A O no hydrogen 3.075 N/A THR 116.A OG1 ASP 112.A O no hydrogen 3.046 N/A PHE 117.A N ALA 113.A O no hydrogen 2.862 N/A GLY 118.A N VAL 114.A O no hydrogen 2.900 N/A TRP 119.A NE1 THR 116.A O no hydrogen 2.800 N/A LEU 120.A N PHE 117.A O no hydrogen 3.094 N/A