Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1aqw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PRO 1.A N ASP 57.A OD1 no hydrogen 2.742 N/A THR 4.A N GLN 56.A O no hydrogen 3.051 N/A VAL 5.A N LYS 29.A O no hydrogen 2.864 N/A VAL 6.A N LYS 54.A O no hydrogen 2.901 N/A TYR 7.A N GLU 31.A O no hydrogen 3.167 N/A VAL 10.A N PHE 8.A O no hydrogen 2.756 N/A ARG 11.A N PRO 202.A O no hydrogen 2.896 N/A ARG 11.A NE TYR 198.A O no hydrogen 3.112 N/A ARG 11.A NE LEU 201.A O no hydrogen 3.081 N/A ARG 11.A NH2 TYR 198.A O ARG 11.A HH21 3.331 2.642 ARG 11.A NH2 VAL 199.A O ARG 11.A HH21 3.263 2.486 GLY 12.A N ILE 203.A O no hydrogen 2.787 N/A ARG 13.A N TYR 7.A OH no hydrogen 3.076 N/A ARG 13.A NH1 SER 65.A OG ARG 13.A HH11 3.341 2.486 ARG 13.A NH1 GLU 97.A OE1 ARG 13.A HH12 2.966 1.982 ARG 13.A NH1 GLU 97.A OE2 ARG 13.A HH12 3.372 2.634 ARG 13.A NH2 GLU 97.A OE2 ARG 13.A HH22 2.903 2.021 CYS 14.A N ARG 11.A O no hydrogen 2.950 N/A ARG 18.A N CYS 14.A O no hydrogen 3.077 N/A ARG 18.A NE GLU 30.A OE2 no hydrogen 2.821 N/A ARG 18.A NH1 VAL 10.A O ARG 18.A HH12 3.064 2.092 ARG 18.A NH2 GLU 30.A OE1 ARG 18.A HH21 2.958 2.059 MET 19.A N ALA 15.A O no hydrogen 2.981 N/A LEU 20.A N ALA 16.A O no hydrogen 2.989 N/A LEU 21.A N LEU 17.A O no hydrogen 3.021 N/A ALA 22.A N ARG 18.A O no hydrogen 2.953 N/A ASP 23.A N MET 19.A O no hydrogen 2.971 N/A GLN 24.A N LEU 20.A O no hydrogen 2.979 N/A GLY 25.A N ALA 22.A O no hydrogen 3.364 N/A GLN 26.A N LEU 21.A O no hydrogen 2.857 N/A GLN 26.A NE2 GLN 24.A O GLN 26.A HE22 2.828 1.857 TRP 28.A NE1 GLU 30.A OE2 no hydrogen 2.733 N/A LYS 29.A N TYR 3.A O no hydrogen 2.813 N/A LYS 29.A NZ TYR 3.A O no hydrogen 3.273 N/A GLU 31.A N VAL 5.A O no hydrogen 2.744 N/A VAL 33.A N TYR 7.A O no hydrogen 2.795 N/A THR 37.A N THR 34.A OG1 no hydrogen 3.361 N/A THR 37.A OG1 THR 34.A OG1 no hydrogen 2.616 N/A TRP 38.A N THR 34.A O no hydrogen 2.824 N/A GLN 39.A N VAL 35.A O no hydrogen 2.853 N/A GLU 40.A N THR 37.A O no hydrogen 3.263 N/A GLY 41.A N TRP 38.A O no hydrogen 3.044 N/A SER 42.A OG GLU 40.A OE2 no hydrogen 2.931 N/A LYS 44.A NZ GLY 50.A O no hydrogen 2.745 N/A ALA 45.A N GLY 41.A O no hydrogen 3.061 N/A SER 46.A N LEU 43.A O no hydrogen 2.769 N/A SER 46.A OG SER 42.A O no hydrogen 3.044 N/A CYS 47.A N LEU 43.A O no hydrogen 3.095 N/A CYS 47.A N LYS 44.A O no hydrogen 2.880 N/A CYS 47.A SG LEU 43.A O no hydrogen 3.496 N/A CYS 47.A SG GLN 51.A O no hydrogen 3.791 N/A GLY 50.A N CYS 47.A O no hydrogen 2.829 N/A LYS 54.A N VAL 6.A O no hydrogen 3.133 N/A PHE 55.A N LEU 62.A O no hydrogen 2.838 N/A GLN 56.A N THR 4.A O no hydrogen 2.883 N/A ASP 57.A N LEU 60.A O no hydrogen 2.890 N/A LEU 60.A N ASP 57.A O no hydrogen 3.276 N/A LEU 62.A N PHE 55.A O no hydrogen 2.765 N/A ILE 68.A N GLN 64.A O no hydrogen 3.054 N/A LEU 69.A N SER 65.A O no hydrogen 3.065 N/A ARG 70.A N ASN 66.A O no hydrogen 2.973 N/A ARG 70.A NE TYR 79.A OH no hydrogen 3.166 N/A ARG 70.A NE ASP 90.A OD1 no hydrogen 2.900 N/A ARG 70.A NH2 ASP 90.A OD1 ARG 70.A HH21 3.091 2.246 ARG 70.A NH2 ASP 94.A OD1 ARG 70.A HH22 3.248 2.318 HIS 71.A N THR 67.A O no hydrogen 2.830 N/A HIS 71.A NE2 ASP 57.A OD2 no hydrogen 2.895 N/A LEU 72.A N ILE 68.A O no hydrogen 2.950 N/A GLY 73.A N LEU 69.A O no hydrogen 2.757 N/A ARG 74.A N ARG 70.A O no hydrogen 2.885 N/A THR 75.A N HIS 71.A O no hydrogen 3.071 N/A THR 75.A N LEU 72.A O no hydrogen 3.248 N/A THR 75.A OG1 HIS 71.A O no hydrogen 2.948 N/A THR 75.A OG1 LEU 72.A O no hydrogen 3.535 N/A LEU 76.A N LEU 72.A O no hydrogen 2.835 N/A LEU 78.A N GLY 73.A O no hydrogen 2.792 N/A TYR 79.A OH ASP 90.A OD1 no hydrogen 2.628 N/A TYR 79.A OH ASP 90.A OD2 no hydrogen 3.414 N/A LYS 81.A N GLU 85.A OE1 no hydrogen 2.748 N/A LYS 81.A NZ ASP 82.A OD2 no hydrogen 3.452 N/A LYS 81.A NZ GLU 85.A OE2 no hydrogen 3.085 N/A GLU 85.A N ASP 82.A OD1 no hydrogen 2.863 N/A ALA 86.A N ASP 82.A O no hydrogen 2.904 N/A ALA 87.A N GLN 83.A O no hydrogen 3.150 N/A LEU 88.A N GLN 84.A O no hydrogen 3.164 N/A VAL 89.A N GLU 85.A O no hydrogen 2.847 N/A ASP 90.A N ALA 86.A O no hydrogen 2.978 N/A MET 91.A N ALA 87.A O no hydrogen 2.962 N/A VAL 92.A N LEU 88.A O no hydrogen 3.091 N/A ASN 93.A N VAL 89.A O no hydrogen 2.952 N/A ASN 93.A ND2 ASN 154.A OD1 ASN 93.A HD21 2.896 2.248 ASP 94.A N ASP 90.A O no hydrogen 2.887 N/A GLY 95.A N MET 91.A O no hydrogen 3.234 N/A VAL 96.A N VAL 92.A O no hydrogen 2.945 N/A GLU 97.A N ASN 93.A O no hydrogen 2.902 N/A ASP 98.A N ASP 94.A O no hydrogen 2.999 N/A LEU 99.A N GLY 95.A O no hydrogen 3.236 N/A ARG 100.A N VAL 96.A O no hydrogen 2.861 N/A ARG 100.A NH1 ASP 157.A OD2 ARG 100.A HH12 2.878 2.082 ARG 100.A NH2 ASP 157.A OD2 ARG 100.A HH22 2.743 1.915 CYS 101.A N GLU 97.A O no hydrogen 2.887 N/A CYS 101.A SG GLU 97.A O no hydrogen 3.527 N/A CYS 101.A SG GLU 97.A OE2 no hydrogen 3.252 N/A LYS 102.A N ASP 98.A O no hydrogen 3.266 N/A TYR 103.A N LEU 99.A O no hydrogen 2.902 N/A TYR 103.A OH ASN 204.A OD1 no hydrogen 3.088 N/A ILE 104.A N ARG 100.A O no hydrogen 2.834 N/A SER 105.A N CYS 101.A O no hydrogen 3.088 N/A LEU 106.A N LYS 102.A O no hydrogen 3.045 N/A ILE 107.A N TYR 103.A O no hydrogen 2.891 N/A TYR 108.A N ILE 104.A O no hydrogen 2.888 N/A THR 109.A N SER 105.A O no hydrogen 2.898 N/A THR 109.A OG1 SER 105.A O no hydrogen 2.548 N/A ASN 110.A N LEU 106.A O no hydrogen 3.164 N/A TYR 111.A OH GLN 209.A OXT no hydrogen 2.730 N/A GLY 114.A N ASN 110.A O no hydrogen 2.788 N/A LYS 115.A N TYR 111.A O no hydrogen 3.163 N/A LYS 115.A NZ LEU 165.A O no hydrogen 3.059 N/A TYR 118.A N GLY 114.A O no hydrogen 3.065 N/A TYR 118.A OH HIS 162.A NE2 no hydrogen 2.734 N/A VAL 119.A N LYS 115.A O no hydrogen 2.880 N/A LYS 120.A N ASP 116.A O no hydrogen 3.004 N/A ALA 121.A N ASP 117.A O no hydrogen 3.156 N/A ALA 121.A N TYR 118.A O no hydrogen 3.075 N/A LEU 122.A N VAL 119.A O no hydrogen 3.166 N/A LEU 126.A N LEU 122.A O no hydrogen 2.954 N/A LEU 126.A N PRO 123.A O no hydrogen 3.172 N/A LYS 127.A N PRO 123.A O no hydrogen 2.986 N/A PHE 129.A N LEU 126.A O no hydrogen 3.037 N/A GLU 130.A N LEU 126.A O no hydrogen 3.406 N/A THR 131.A N LYS 127.A O no hydrogen 2.887 N/A THR 131.A OG1 LYS 127.A O no hydrogen 3.090 N/A LEU 132.A N PRO 128.A O no hydrogen 2.844 N/A LEU 133.A N PHE 129.A O no hydrogen 3.049 N/A SER 134.A N GLU 130.A O no hydrogen 3.087 N/A SER 134.A OG THR 131.A O no hydrogen 2.521 N/A GLN 135.A N THR 131.A O no hydrogen 3.098 N/A ASN 136.A N LEU 133.A O no hydrogen 2.935 N/A ASN 136.A ND2 PHE 142.A O ASN 136.A HD22 2.742 2.016 ASN 136.A ND2 GLY 145.A O ASN 136.A HD21 3.021 2.046 GLY 139.A N ASN 136.A O no hydrogen 2.885 N/A LYS 140.A N GLN 137.A O no hydrogen 3.173 N/A LYS 140.A NZ GLY 138.A O no hydrogen 3.220 N/A THR 141.A OG1 GLY 145.A O no hydrogen 3.425 N/A ILE 143.A N ASP 152.A OD1 no hydrogen 2.937 N/A SER 149.A N ASP 152.A OD2 no hydrogen 2.897 N/A SER 149.A OG ASP 152.A OD2 no hydrogen 3.381 N/A PHE 150.A N LEU 78.A O no hydrogen 2.936 N/A ASP 152.A N SER 149.A O no hydrogen 3.131 N/A TYR 153.A OH ASP 23.A OD2 no hydrogen 2.553 N/A TYR 153.A OH GLN 24.A OE1 no hydrogen 3.045 N/A ASN 154.A N PHE 150.A O no hydrogen 3.249 N/A LEU 155.A N ALA 151.A O no hydrogen 2.833 N/A LEU 156.A N ASP 152.A O no hydrogen 2.858 N/A ASP 157.A N TYR 153.A O no hydrogen 3.068 N/A LEU 158.A N ASN 154.A O no hydrogen 3.082 N/A LEU 159.A N LEU 155.A O no hydrogen 2.997 N/A LEU 160.A N LEU 156.A O no hydrogen 2.957 N/A ILE 161.A N ASP 157.A O no hydrogen 3.000 N/A HIS 162.A N LEU 158.A O no hydrogen 3.106 N/A HIS 162.A ND1 LEU 158.A O no hydrogen 2.722 N/A HIS 162.A NE2 TYR 118.A OH no hydrogen 2.734 N/A GLU 163.A N LEU 159.A O no hydrogen 2.933 N/A LEU 165.A N ILE 161.A O no hydrogen 3.170 N/A ALA 166.A N HIS 162.A O no hydrogen 2.763 N/A CYS 169.A N GLU 163.A OE1 no hydrogen 2.954 N/A CYS 169.A N ALA 166.A O no hydrogen 3.043 N/A CYS 169.A SG HIS 162.A O no hydrogen 3.514 N/A CYS 169.A SG GLU 163.A OE1 no hydrogen 3.187 N/A CYS 169.A SG ALA 166.A O no hydrogen 3.290 N/A LEU 170.A N GLU 163.A OE2 no hydrogen 3.349 N/A ASP 171.A N GLY 168.A O no hydrogen 2.935 N/A PHE 173.A N LEU 170.A O no hydrogen 2.885 N/A LEU 175.A N GLU 130.A OE2 no hydrogen 3.011 N/A LEU 176.A N GLU 130.A OE1 no hydrogen 2.901 N/A SER 177.A N PHE 173.A O no hydrogen 2.922 N/A SER 177.A OG PHE 173.A O no hydrogen 3.025 N/A ALA 178.A N PRO 174.A O no hydrogen 3.078 N/A TYR 179.A N LEU 175.A O no hydrogen 2.944 N/A TYR 179.A OH ASP 152.A OD1 no hydrogen 2.715 N/A VAL 180.A N LEU 176.A O no hydrogen 3.001 N/A GLY 181.A N SER 177.A O no hydrogen 3.132 N/A ARG 182.A N ALA 178.A O no hydrogen 2.908 N/A ARG 182.A NH2 GLY 139.A O ARG 182.A HH22 3.003 2.323 ARG 182.A NH2 THR 141.A O ARG 182.A HH21 2.877 1.937 LEU 183.A N TYR 179.A O no hydrogen 3.018 N/A SER 184.A N VAL 180.A O no hydrogen 2.972 N/A SER 184.A OG VAL 180.A O no hydrogen 2.614 N/A ALA 185.A N ARG 182.A O no hydrogen 3.272 N/A ARG 186.A N LEU 183.A O no hydrogen 3.216 N/A ARG 186.A NE ASP 23.A OD2 no hydrogen 2.712 N/A ARG 186.A NH2 ASP 23.A OD2 ARG 186.A HH21 3.120 2.365 LYS 188.A NZ ASP 23.A OD1 no hydrogen 2.632 N/A LYS 190.A N ARG 186.A O no hydrogen 2.727 N/A LYS 190.A NZ ALA 185.A O no hydrogen 3.466 N/A ALA 191.A N PRO 187.A O no hydrogen 3.002 N/A PHE 192.A N LYS 188.A O no hydrogen 3.034 N/A LEU 193.A N LEU 189.A O no hydrogen 2.848 N/A ALA 194.A N LYS 190.A O no hydrogen 3.129 N/A ALA 194.A N ALA 191.A O no hydrogen 3.185 N/A SER 195.A N PHE 192.A O no hydrogen 3.079 N/A SER 195.A OG PHE 192.A O no hydrogen 2.818 N/A TYR 198.A N SER 195.A O no hydrogen 3.134 N/A VAL 199.A N SER 195.A O no hydrogen 2.866 N/A ASN 200.A N PRO 196.A O no hydrogen 2.808 N/A LEU 201.A N TYR 198.A O no hydrogen 3.175 N/A GLY 205.A N TYR 108.A OH no hydrogen 2.950 N/A ASN 206.A ND2 ILE 107.A O ASN 206.A HD21 2.801 2.006 LYS 208.A N ASN 206.A OD1 no hydrogen 2.914 N/A LYS 208.A NZ GLU 112.A OE1 no hydrogen 3.085 N/A LYS 208.A NZ GLU 112.A OE2 no hydrogen 3.304 N/A