Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pk1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH ASP 115.A OD1 no hydrogen 2.531 N/A GLN 5.A N SER 1.A O no hydrogen 3.163 N/A SER 6.A N LEU 2.A O no hydrogen 3.098 N/A SER 6.A OG LEU 2.A O no hydrogen 2.789 N/A LEU 7.A N TYR 3.A O no hydrogen 2.881 N/A GLU 8.A N ARG 4.A O no hydrogen 3.156 N/A ILE 9.A N GLN 5.A O no hydrogen 3.224 N/A ILE 10.A N SER 6.A O no hydrogen 2.882 N/A SER 11.A N LEU 7.A O no hydrogen 2.918 N/A SER 11.A OG LEU 7.A O no hydrogen 2.362 N/A ARG 12.A N GLU 8.A O no hydrogen 2.889 N/A TYR 13.A N ILE 9.A O no hydrogen 2.872 N/A TYR 13.A OH ASP 37.A OD1 no hydrogen 2.559 N/A LEU 14.A N ILE 10.A O no hydrogen 2.869 N/A ARG 15.A N SER 11.A O no hydrogen 2.721 N/A ARG 15.A NH2 GLU 107.A OE2 no hydrogen 3.432 N/A GLU 16.A N ARG 12.A O no hydrogen 2.916 N/A GLN 17.A N TYR 13.A O no hydrogen 2.923 N/A ALA 18.A N LEU 14.A O no hydrogen 3.136 N/A THR 19.A N ARG 15.A O no hydrogen 3.058 N/A THR 19.A OG1 ARG 15.A O no hydrogen 2.464 N/A THR 19.A OG1 GLU 16.A O no hydrogen 3.548 N/A GLY 20.A N GLU 16.A O no hydrogen 2.518 N/A THR 24.A OG1 ASP 132.A OD1 no hydrogen 3.052 N/A ARG 26.A N ALA 23.A O no hydrogen 3.043 N/A LYS 27.A N THR 24.A O no hydrogen 3.254 N/A ALA 28.A N THR 24.A O no hydrogen 3.124 N/A LEU 29.A N SER 25.A O no hydrogen 3.235 N/A GLU 30.A N ARG 26.A O no hydrogen 3.383 N/A THR 31.A N LYS 27.A O no hydrogen 2.977 N/A THR 31.A OG1 LYS 27.A O no hydrogen 2.816 N/A LEU 32.A N ALA 28.A O no hydrogen 3.008 N/A ARG 33.A N LEU 29.A O no hydrogen 2.812 N/A ARG 33.A NE GLU 16.A OE1 no hydrogen 2.980 N/A ARG 33.A NH2 GLU 16.A OE2 no hydrogen 3.022 N/A ARG 34.A N GLU 30.A O no hydrogen 2.991 N/A VAL 35.A N THR 31.A O no hydrogen 2.814 N/A GLY 36.A N LEU 32.A O no hydrogen 2.658 N/A ASP 37.A N ARG 33.A O no hydrogen 3.166 N/A VAL 39.A N VAL 35.A O no hydrogen 3.034 N/A GLN 40.A N GLY 36.A O no hydrogen 2.994 N/A ARG 41.A N ASP 37.A O no hydrogen 2.839 N/A ASN 42.A N GLY 38.A O no hydrogen 2.753 N/A HIS 43.A N VAL 39.A O no hydrogen 2.789 N/A PHE 47.A N HIS 43.A O no hydrogen 2.802 N/A GLN 48.A N GLU 44.A O no hydrogen 2.966 N/A GLY 49.A N THR 45.A O no hydrogen 3.065 N/A MET 50.A N ALA 46.A O no hydrogen 2.878 N/A LEU 51.A N PHE 47.A O no hydrogen 2.650 N/A ARG 52.A N GLN 48.A O no hydrogen 2.988 N/A LYS 53.A N GLY 49.A O no hydrogen 3.106 N/A LEU 54.A N LEU 51.A O no hydrogen 3.177 N/A LYS 57.A N ASP 61.A OD2 no hydrogen 2.855 N/A LYS 57.A NZ ASP 55.A OD2 no hydrogen 2.849 N/A ASP 60.A N ASN 58.A OD1 no hydrogen 2.708 N/A ASP 61.A N ASN 58.A O no hydrogen 2.797 N/A SER 64.A OG ASP 61.A O no hydrogen 3.481 N/A SER 66.A N VAL 62.A O no hydrogen 2.962 N/A SER 66.A OG VAL 62.A O no hydrogen 3.061 N/A SER 66.A OG SER 112.A OG no hydrogen 2.871 N/A ARG 67.A N LYS 63.A O no hydrogen 3.138 N/A VAL 68.A N SER 64.A O no hydrogen 3.020 N/A MET 69.A N LEU 65.A O no hydrogen 2.717 N/A ILE 70.A N SER 66.A O no hydrogen 3.035 N/A ILE 70.A N ARG 67.A O no hydrogen 3.119 N/A HIS 71.A N ARG 67.A O no hydrogen 3.128 N/A VAL 72.A N VAL 68.A O no hydrogen 3.290 N/A PHE 73.A N ILE 70.A O no hydrogen 3.110 N/A SER 74.A N HIS 71.A O no hydrogen 3.165 N/A SER 74.A OG HIS 71.A O no hydrogen 2.467 N/A GLY 76.A N PHE 73.A O no hydrogen 3.149 N/A VAL 77.A N ASP 75.A OD1 no hydrogen 2.720 N/A ARG 82.A N ASN 79.A OD1 no hydrogen 2.695 N/A ARG 82.A NH1 ASP 75.A OD1 no hydrogen 2.986 N/A ARG 82.A NH1 ASP 75.A OD2 no hydrogen 3.120 N/A ARG 82.A NH2 ASP 75.A OD2 no hydrogen 2.910 N/A ILE 83.A N ASN 79.A O no hydrogen 3.130 N/A VAL 84.A N TRP 80.A O no hydrogen 2.679 N/A THR 85.A N GLY 81.A O no hydrogen 2.910 N/A THR 85.A OG1 GLY 81.A O no hydrogen 2.432 N/A LEU 86.A N ARG 82.A O no hydrogen 2.867 N/A ILE 87.A N ILE 83.A O no hydrogen 3.156 N/A SER 88.A N VAL 84.A O no hydrogen 3.041 N/A SER 88.A OG GLY 36.A O no hydrogen 3.245 N/A SER 88.A OG VAL 84.A O no hydrogen 2.867 N/A PHE 89.A N THR 85.A O no hydrogen 3.069 N/A GLY 90.A N LEU 86.A O no hydrogen 2.989 N/A ALA 91.A N ILE 87.A O no hydrogen 2.854 N/A PHE 92.A N SER 88.A O no hydrogen 2.798 N/A VAL 93.A N PHE 89.A O no hydrogen 2.710 N/A ALA 94.A N GLY 90.A O no hydrogen 2.785 N/A LYS 95.A N ALA 91.A O no hydrogen 2.965 N/A HIS 96.A N PHE 92.A O no hydrogen 3.323 N/A LEU 97.A N VAL 93.A O no hydrogen 3.129 N/A LYS 98.A NZ GLN 102.A O no hydrogen 3.035 N/A LYS 98.A NZ SER 104.A O no hydrogen 2.858 N/A THR 99.A N LYS 95.A O no hydrogen 3.411 N/A ILE 100.A N HIS 96.A O no hydrogen 3.143 N/A ILE 100.A N LEU 97.A O no hydrogen 2.931 N/A ASN 101.A N LEU 97.A O no hydrogen 2.717 N/A SER 104.A OG LEU 97.A O no hydrogen 3.544 N/A SER 104.A OG ASN 101.A O no hydrogen 2.814 N/A CYS 105.A N GLU 59.A OE1 no hydrogen 2.817 N/A CYS 105.A SG GLU 107.A OE1 no hydrogen 2.660 N/A ALA 110.A N ILE 106.A O no hydrogen 2.720 N/A GLU 111.A N GLU 107.A O no hydrogen 2.830 N/A SER 112.A N PRO 108.A O no hydrogen 2.795 N/A SER 112.A OG SER 66.A OG no hydrogen 2.871 N/A ILE 113.A N LEU 109.A O no hydrogen 3.062 N/A THR 114.A N ALA 110.A O no hydrogen 2.958 N/A THR 114.A OG1 ALA 110.A O no hydrogen 2.777 N/A ASP 115.A N GLU 111.A O no hydrogen 2.861 N/A VAL 116.A N SER 112.A O no hydrogen 3.301 N/A LEU 117.A N ILE 113.A O no hydrogen 3.052 N/A VAL 118.A N THR 114.A O no hydrogen 2.729 N/A ARG 119.A N ASP 115.A O no hydrogen 2.950 N/A ARG 119.A NH1 ASP 115.A OD1 no hydrogen 3.379 N/A THR 120.A N VAL 116.A O no hydrogen 3.170 N/A THR 120.A OG1 VAL 116.A O no hydrogen 2.663 N/A LYS 121.A N LEU 117.A O no hydrogen 2.777 N/A LYS 121.A NZ THR 78.A OG1 no hydrogen 3.067 N/A LEU 125.A N LYS 121.A O no hydrogen 2.729 N/A VAL 126.A N ARG 122.A O no hydrogen 2.809 N/A LYS 127.A N ASP 123.A O no hydrogen 2.779 N/A GLN 128.A N TRP 124.A O no hydrogen 3.138 N/A GLN 128.A N LEU 125.A O no hydrogen 3.157 N/A ARG 129.A N VAL 126.A O no hydrogen 2.764 N/A ARG 129.A NH2 GLU 136.A OE1 no hydrogen 3.433 N/A GLY 130.A N LEU 125.A O no hydrogen 3.073 N/A TRP 131.A NE1 SER 6.A OG no hydrogen 2.924 N/A PHE 134.A N GLY 130.A O no hydrogen 3.409 N/A VAL 135.A N TRP 131.A O no hydrogen 3.018 N/A GLU 136.A N ASP 132.A O no hydrogen 2.923 N/A PHE 137.A N GLY 133.A O no hydrogen 2.758 N/A PHE 138.A N PHE 134.A O no hydrogen 3.327 N/A PHE 138.A N VAL 135.A O no hydrogen 3.288 N/A HIS 139.A N GLU 136.A O no hydrogen 3.328 N/A