Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pua_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 2.A N LEU 52.A O no hydrogen 2.985 N/A ASP 4.A N VAL 50.A O no hydrogen 3.251 N/A LEU 6.A N SER 48.A O no hydrogen 2.605 N/A THR 11.A N ASP 9.A OD1 no hydrogen 3.316 N/A THR 11.A OG1 ASP 9.A OD1 no hydrogen 2.780 N/A THR 11.A OG1 ASP 9.A OD2 no hydrogen 3.551 N/A MET 15.A N THR 11.A O no hydrogen 3.126 N/A LYS 16.A N HIS 12.A O no hydrogen 3.026 N/A LYS 16.A NZ ASP 20.A OD2 no hydrogen 2.730 N/A LEU 17.A N ARG 13.A O no hydrogen 3.271 N/A LEU 18.A N ASN 14.A O no hydrogen 2.888 N/A ILE 19.A N MET 15.A O no hydrogen 2.889 N/A ASP 20.A N LYS 16.A O no hydrogen 2.906 N/A LEU 21.A N LEU 17.A O no hydrogen 3.010 N/A LYS 22.A N LEU 18.A O no hydrogen 2.964 N/A ASN 23.A N ILE 19.A O no hydrogen 2.799 N/A ILE 24.A N ASP 20.A O no hydrogen 3.056 N/A ILE 24.A N LEU 21.A O no hydrogen 3.120 N/A PHE 25.A N LEU 21.A O no hydrogen 2.938 N/A SER 26.A N LYS 22.A O no hydrogen 2.997 N/A SER 26.A OG LYS 22.A O no hydrogen 3.322 N/A SER 26.A OG ASN 23.A O no hydrogen 3.195 N/A ARG 27.A N ASN 23.A O no hydrogen 3.221 N/A GLN 28.A N ILE 24.A O no hydrogen 2.903 N/A LYS 31.A NZ ASP 114.A OD2 no hydrogen 3.547 N/A MET 32.A N LEU 29.A O no hydrogen 3.160 N/A TYR 36.A N PRO 33.A O no hydrogen 3.071 N/A ILE 37.A N PRO 33.A O no hydrogen 3.332 N/A VAL 38.A N LYS 34.A O no hydrogen 3.117 N/A LYS 39.A N GLU 35.A O no hydrogen 3.166 N/A LEU 40.A N TYR 36.A O no hydrogen 3.166 N/A LEU 40.A N ILE 37.A O no hydrogen 3.208 N/A VAL 41.A N ILE 37.A O no hydrogen 2.899 N/A PHE 42.A N VAL 38.A O no hydrogen 2.983 N/A ASP 43.A N LEU 40.A O no hydrogen 3.054 N/A HIS 46.A N ASP 43.A O no hydrogen 3.072 N/A HIS 46.A ND1 ASP 43.A OD2 no hydrogen 2.922 N/A GLU 47.A N PHE 64.A O no hydrogen 2.996 N/A SER 48.A N LEU 6.A O no hydrogen 3.018 N/A MET 49.A N ILE 62.A O no hydrogen 2.977 N/A VAL 50.A N ASP 4.A O no hydrogen 2.884 N/A ILE 51.A N GLY 60.A O no hydrogen 2.923 N/A LEU 52.A N ASP 2.A O no hydrogen 2.766 N/A LYS 53.A N LYS 57.A O no hydrogen 2.732 N/A LYS 53.A NZ GLU 84.A OE2 no hydrogen 2.803 N/A GLN 56.A N LYS 53.A O no hydrogen 3.206 N/A GLN 56.A NE2 ASN 54.A O no hydrogen 3.331 N/A LYS 57.A N LYS 53.A O no hydrogen 2.867 N/A ILE 59.A N ILE 51.A O no hydrogen 3.171 N/A GLY 61.A N ALA 79.A O no hydrogen 2.930 N/A ILE 62.A N MET 49.A O no hydrogen 2.946 N/A CYS 63.A N PHE 77.A O no hydrogen 2.858 N/A CYS 63.A SG GLU 47.A O no hydrogen 3.990 N/A PHE 64.A N GLU 47.A O no hydrogen 2.976 N/A ARG 65.A N GLU 74.A O no hydrogen 3.145 N/A GLN 66.A NE2 GLU 47.A OE2 no hydrogen 2.635 N/A GLN 66.A NE2 GLN 104.A OE1 no hydrogen 3.091 N/A TYR 67.A N PHE 72.A O no hydrogen 2.878 N/A ARG 71.A N TYR 67.A O no hydrogen 2.758 N/A ARG 71.A N LYS 68.A O no hydrogen 3.276 N/A ARG 71.A NH1 ASN 105.A OD1 no hydrogen 2.793 N/A PHE 72.A N TYR 67.A O no hydrogen 3.336 N/A ALA 73.A N TYR 108.A O no hydrogen 2.974 N/A GLU 74.A N ARG 65.A O no hydrogen 3.040 N/A VAL 75.A N LEU 110.A O no hydrogen 2.938 N/A ALA 76.A N CYS 63.A O no hydrogen 2.647 N/A PHE 77.A N CYS 63.A O no hydrogen 3.263 N/A ALA 79.A N GLY 61.A O no hydrogen 3.155 N/A THR 81.A N ILE 59.A O no hydrogen 2.681 N/A THR 81.A OG1 ASN 83.A OD1 no hydrogen 3.247 N/A GLU 84.A N THR 81.A O no hydrogen 2.915 N/A GLN 85.A N ALA 82.A O no hydrogen 3.238 N/A ARG 92.A N GLY 88.A O no hydrogen 3.263 N/A LEU 93.A N TYR 89.A O no hydrogen 2.847 N/A MET 94.A N GLY 90.A O no hydrogen 3.196 N/A ASN 95.A N THR 91.A O no hydrogen 2.941 N/A LYS 96.A N ARG 92.A O no hydrogen 2.970 N/A PHE 97.A N LEU 93.A O no hydrogen 2.818 N/A LYS 98.A N MET 94.A O no hydrogen 2.840 N/A LYS 98.A NZ GLN 124.A O no hydrogen 2.549 N/A ASP 99.A N ASN 95.A O no hydrogen 2.971 N/A HIS 100.A N LYS 96.A O no hydrogen 3.007 N/A MET 101.A N PHE 97.A O no hydrogen 2.908 N/A GLN 102.A N LYS 98.A O no hydrogen 2.959 N/A GLN 102.A NE2 HIS 155.A O no hydrogen 2.794 N/A GLN 102.A NE2 VAL 158.A O no hydrogen 2.674 N/A LYS 103.A N ASP 99.A O no hydrogen 3.191 N/A GLN 104.A N HIS 100.A O no hydrogen 2.908 N/A GLN 104.A N MET 101.A O no hydrogen 3.142 N/A ASN 105.A N GLN 102.A O no hydrogen 3.153 N/A ILE 106.A N MET 101.A O no hydrogen 2.838 N/A GLU 107.A N ARG 71.A O no hydrogen 2.816 N/A TYR 108.A N ARG 71.A O no hydrogen 3.251 N/A LEU 109.A N CYS 152.A O no hydrogen 2.903 N/A LEU 110.A N ALA 73.A O no hydrogen 2.854 N/A THR 111.A N MET 150.A O no hydrogen 2.935 N/A THR 111.A OG1 VAL 75.A O no hydrogen 3.391 N/A TYR 112.A OH LYS 142.A O no hydrogen 2.514 N/A ALA 113.A N THR 148.A O no hydrogen 2.810 N/A ILE 118.A N ASN 115.A O no hydrogen 3.373 N/A GLY 119.A N PHE 116.A O no hydrogen 2.765 N/A TYR 120.A N PHE 116.A O no hydrogen 3.315 N/A PHE 121.A N ALA 117.A O no hydrogen 2.941 N/A LYS 122.A N ILE 118.A O no hydrogen 2.971 N/A LYS 123.A N GLY 119.A O no hydrogen 3.178 N/A GLN 124.A N TYR 120.A O no hydrogen 3.209 N/A GLN 124.A N PHE 121.A O no hydrogen 3.062 N/A GLN 124.A NE2 THR 91.A OG1 no hydrogen 3.087 N/A GLY 125.A N LYS 122.A O no hydrogen 3.104 N/A PHE 126.A N PHE 121.A O no hydrogen 2.830 N/A THR 127.A N GLU 151.A O no hydrogen 2.860 N/A THR 127.A OG1 GLU 129.A O no hydrogen 2.819 N/A HIS 130.A NE2 LEU 149.A O no hydrogen 2.932 N/A ARG 131.A N GLU 151.A OE1 no hydrogen 2.904 N/A GLU 135.A N GLU 135.A OE2 no hydrogen 3.003 N/A LYS 136.A N PRO 133.A O no hydrogen 3.066 N/A TRP 137.A N GLN 134.A O no hydrogen 3.242 N/A LYS 138.A N GLN 134.A O no hydrogen 3.095 N/A TYR 140.A N TRP 137.A O no hydrogen 2.991 N/A ILE 141.A N TRP 137.A O no hydrogen 2.834 N/A TYR 144.A N TYR 112.A OH no hydrogen 3.332 N/A THR 148.A N ALA 113.A O no hydrogen 3.033 N/A MET 150.A N THR 111.A O no hydrogen 2.771 N/A GLU 151.A N THR 127.A O no hydrogen 3.023 N/A CYS 152.A N LEU 109.A O no hydrogen 2.896 N/A CYS 152.A SG GLY 125.A O no hydrogen 3.321 N/A CYS 152.A SG TYR 153.A O no hydrogen 3.715 N/A ILE 154.A N GLU 107.A O no hydrogen 2.829 N/A VAL 158.A N HIS 155.A O no hydrogen 3.476 N/A ARG 162.A NH1 ARG 162.A O no hydrogen 2.614 N/A