Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pas_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 5.A N ARG 1.A O no hydrogen 2.783 N/A SER 6.A N GLN 2.A O no hydrogen 2.979 N/A LYS 7.A N ARG 3.A O no hydrogen 3.086 N/A ARG 8.A N ASP 4.A O no hydrogen 2.836 N/A ARG 8.A NH1 ASP 5.A OD1 no hydrogen 2.990 N/A ILE 9.A N ASP 5.A O no hydrogen 2.837 N/A ALA 10.A N SER 6.A O no hydrogen 2.962 N/A PHE 11.A N LYS 7.A O no hydrogen 2.991 N/A LEU 12.A N ARG 8.A O no hydrogen 2.754 N/A GLU 13.A N ILE 9.A O no hydrogen 2.747 N/A ALA 14.A N ALA 10.A O no hydrogen 2.941 N/A THR 15.A N PHE 11.A O no hydrogen 3.002 N/A THR 15.A OG1 PHE 11.A O no hydrogen 2.794 N/A VAL 16.A N LEU 12.A O no hydrogen 3.029 N/A ARG 17.A N GLU 13.A O no hydrogen 2.997 N/A GLU 18.A N ALA 14.A O no hydrogen 2.831 N/A VAL 19.A N THR 15.A O no hydrogen 2.906 N/A ALA 20.A N VAL 16.A O no hydrogen 2.913 N/A ASP 21.A N ARG 17.A O no hydrogen 2.958 N/A HIS 22.A N GLU 18.A O no hydrogen 2.786 N/A GLY 23.A N VAL 19.A O no hydrogen 2.659 N/A THR 27.A N PHE 24.A O no hydrogen 3.127 N/A THR 27.A OG1 GLU 18.A O no hydrogen 3.380 N/A THR 27.A OG1 GLY 23.A O no hydrogen 2.812 N/A LYS 31.A N SER 28.A OG no hydrogen 2.990 N/A LYS 31.A NZ ALA 26.A O no hydrogen 2.854 N/A ILE 32.A N SER 28.A O no hydrogen 2.958 N/A ALA 33.A N VAL 29.A O no hydrogen 2.930 N/A LYS 34.A N GLY 30.A O no hydrogen 3.043 N/A ALA 35.A N LYS 31.A O no hydrogen 3.010 N/A ALA 36.A N ILE 32.A O no hydrogen 2.966 N/A GLY 37.A N LYS 34.A O no hydrogen 3.079 N/A LEU 38.A N ALA 33.A O no hydrogen 2.987 N/A SER 39.A OG THR 42.A OG1 no hydrogen 3.104 N/A THR 42.A N SER 39.A OG no hydrogen 3.140 N/A THR 42.A OG1 SER 39.A OG no hydrogen 3.104 N/A LEU 43.A N SER 39.A O no hydrogen 2.986 N/A TYR 44.A N PRO 40.A O no hydrogen 2.921 N/A ILE 45.A N ALA 41.A O no hydrogen 3.258 N/A ILE 45.A N THR 42.A O no hydrogen 3.118 N/A TYR 46.A N LEU 43.A O no hydrogen 2.919 N/A TYR 46.A OH ASP 4.A OD1 no hydrogen 2.626 N/A TYR 47.A N LEU 43.A O no hydrogen 2.977 N/A LYS 50.A NZ PHE 24.A O no hydrogen 2.704 N/A LYS 50.A NZ THR 27.A O no hydrogen 2.720 N/A GLN 52.A N ASP 49.A OD1 no hydrogen 2.838 N/A LEU 53.A N ASP 49.A O no hydrogen 3.116 N/A LEU 54.A N LYS 50.A O no hydrogen 2.788 N/A LEU 55.A N GLU 51.A O no hydrogen 3.131 N/A ALA 56.A N GLN 52.A O no hydrogen 2.980 N/A THR 57.A N LEU 53.A O no hydrogen 2.871 N/A THR 57.A OG1 LEU 53.A O no hydrogen 2.863 N/A PHE 58.A N LEU 54.A O no hydrogen 2.914 N/A TYR 59.A N LEU 55.A O no hydrogen 2.904 N/A TYR 60.A N ALA 56.A O no hydrogen 2.779 N/A TYR 60.A OH GLU 13.A OE2 no hydrogen 2.549 N/A VAL 61.A N THR 57.A O no hydrogen 2.824 N/A SER 62.A N PHE 58.A O no hydrogen 2.850 N/A SER 62.A OG PHE 58.A O no hydrogen 2.667 N/A ASP 63.A N TYR 59.A O no hydrogen 2.877 N/A GLN 64.A N TYR 60.A O no hydrogen 3.232 N/A GLN 64.A NE2 TYR 60.A O no hydrogen 3.526 N/A VAL 65.A N VAL 61.A O no hydrogen 3.163 N/A ILE 66.A N SER 62.A O no hydrogen 2.769 N/A ASP 67.A N ASP 63.A O no hydrogen 2.862 N/A ALA 68.A N GLN 64.A O no hydrogen 3.184 N/A ALA 69.A N VAL 65.A O no hydrogen 2.924 N/A LEU 70.A N ILE 66.A O no hydrogen 2.831 N/A ASP 71.A N ASP 67.A O no hydrogen 2.952 N/A SER 72.A N ALA 68.A O no hydrogen 3.037 N/A SER 72.A OG.A ALA 68.A O no hydrogen 3.443 N/A SER 72.A OG.A THR 89.A OG1 no hydrogen 2.546 N/A SER 72.A OG.B THR 89.A OG1 no hydrogen 2.991 N/A PHE 73.A N ALA 69.A O no hydrogen 2.865 N/A SER 74.A N LEU 70.A O no hydrogen 2.952 N/A SER 74.A OG ASP 71.A O no hydrogen 2.614 N/A ARG 75.A N SER 72.A O no hydrogen 3.156 N/A ARG 75.A NE ASP 71.A OD2 no hydrogen 3.508 N/A ARG 75.A NH2 ASP 71.A OD1 no hydrogen 3.023 N/A ARG 75.A NH2 ASP 71.A OD2 no hydrogen 3.391 N/A GLY 76.A N PHE 73.A O no hydrogen 3.180 N/A ARG 80.A NH2 ASN 179.A OD1 no hydrogen 3.071 N/A GLU 81.A N ASP 78.A OD1 no hydrogen 2.914 N/A GLY 82.A N ASP 78.A O no hydrogen 2.949 N/A LEU 83.A N LEU 79.A O no hydrogen 2.984 N/A ARG 84.A N ARG 80.A O no hydrogen 2.809 N/A ARG 84.A NE GLU 81.A OE1 no hydrogen 2.895 N/A ARG 84.A NH1 GLU 175.A OE1 no hydrogen 2.938 N/A ARG 84.A NH2 GLU 81.A OE1 no hydrogen 3.506 N/A ARG 84.A NH2 GLU 81.A OE2 no hydrogen 2.851 N/A ARG 85.A N GLU 81.A O no hydrogen 2.853 N/A ARG 85.A NE GLU 81.A OE2 no hydrogen 3.104 N/A GLN 86.A N GLY 82.A O no hydrogen 2.970 N/A TRP 87.A N LEU 83.A O no hydrogen 2.861 N/A TRP 87.A NE1 ILE 174.A O no hydrogen 3.103 N/A HIS 88.A N ARG 84.A O no hydrogen 3.170 N/A HIS 88.A NE2 GLU 175.A OE1 no hydrogen 2.695 N/A THR 89.A N ARG 85.A O no hydrogen 3.071 N/A THR 89.A OG1 SER 72.A OG.A no hydrogen 2.546 N/A THR 89.A OG1 SER 72.A OG.B no hydrogen 2.991 N/A THR 89.A OG1 ARG 85.A O no hydrogen 3.102 N/A LEU 90.A N GLN 86.A O no hydrogen 2.912 N/A PHE 91.A N TRP 87.A O no hydrogen 2.850 N/A ARG 92.A N.A HIS 88.A O no hydrogen 2.975 N/A ARG 92.A N.B HIS 88.A O no hydrogen 2.994 N/A ARG 92.A NE.A GLU 96.A OE2 no hydrogen 2.836 N/A ARG 92.A NE.B GLU 96.A OE1 no hydrogen 3.389 N/A ARG 92.A NH2.A GLU 96.A OE2 no hydrogen 3.436 N/A ILE 93.A N THR 89.A O no hydrogen 2.945 N/A GLY 94.A N LEU 90.A O no hydrogen 2.914 N/A LEU 95.A N PHE 91.A O no hydrogen 2.975 N/A GLU 96.A N ARG 92.A O.A no hydrogen 2.897 N/A GLU 96.A N ARG 92.A O.B no hydrogen 2.922 N/A ARG 97.A N ILE 93.A O no hydrogen 2.659 N/A ARG 97.A NE GLU 99.A OE2 no hydrogen 3.183 N/A ARG 97.A NH1 GLU 13.A OE2 no hydrogen 3.000 N/A ARG 97.A NH2 GLU 13.A OE1 no hydrogen 2.748 N/A ARG 97.A NH2 GLU 13.A OE2 no hydrogen 3.554 N/A ARG 97.A NH2 GLU 99.A OE2 no hydrogen 3.033 N/A GLU 99.A N GLU 99.A OE1 no hydrogen 2.719 N/A LEU 100.A N ARG 97.A O no hydrogen 2.973 N/A ARG 102.A N PRO 98.A O no hydrogen 2.808 N/A ARG 102.A NE ALA 20.A O no hydrogen 2.902 N/A TYR 103.A N GLU 99.A O no hydrogen 2.827 N/A TYR 103.A OH LEU 54.A O no hydrogen 2.775 N/A HIS 104.A N LEU 100.A O no hydrogen 3.098 N/A GLU 105.A N PHE 101.A O no hydrogen 3.000 N/A THR 106.A N ARG 102.A O no hydrogen 2.935 N/A THR 106.A OG1 ARG 102.A O no hydrogen 2.722 N/A PHE 107.A N TYR 103.A O no hydrogen 2.909 N/A THR 108.A N HIS 104.A O no hydrogen 2.860 N/A THR 108.A OG1 HIS 104.A O no hydrogen 3.196 N/A THR 108.A OG1 GLU 105.A O no hydrogen 3.309 N/A THR 108.A OG1 HIS 109.A ND1 no hydrogen 3.197 N/A HIS 109.A N GLU 105.A O no hydrogen 3.208 N/A HIS 109.A ND1 GLU 105.A O no hydrogen 2.857 N/A SER 110.A N PHE 107.A O no hydrogen 2.964 N/A SER 110.A OG PHE 107.A O no hydrogen 2.484 N/A TRP 112.A N SER 110.A OG no hydrogen 3.213 N/A ILE 116.A N THR 113.A OG1 no hydrogen 3.193 N/A GLN 117.A N THR 113.A O no hydrogen 3.005 N/A GLN 117.A NE2.B GLU 121.A OE2 no hydrogen 2.712 N/A ALA 118.A N PRO 114.A O no hydrogen 2.883 N/A ARG 119.A N GLU 115.A O no hydrogen 3.015 N/A ARG 119.A NH1 ASP 63.A OD1 no hydrogen 2.567 N/A ARG 119.A NH1 ASN 120.A OD1 no hydrogen 3.032 N/A ARG 119.A NH2 ASP 63.A OD1 no hydrogen 3.021 N/A ARG 119.A NH2 ASP 63.A OD2 no hydrogen 2.846 N/A ASN 120.A N ILE 116.A O no hydrogen 3.123 N/A ASN 120.A ND2 SER 62.A OG no hydrogen 3.012 N/A GLU 121.A N GLN 117.A O no hydrogen 2.897 N/A SER 122.A N ALA 118.A O no hydrogen 2.795 N/A ARG 123.A N ARG 119.A O no hydrogen 3.031 N/A ARG 123.A NE ASP 67.A OD1 no hydrogen 2.865 N/A ARG 123.A NH2 ASP 67.A OD1 no hydrogen 3.509 N/A ARG 123.A NH2 ASP 67.A OD2 no hydrogen 2.846 N/A ALA 124.A N ASN 120.A O no hydrogen 2.956 N/A ALA 125.A N SER 122.A O no hydrogen 3.069 N/A LEU 128.A N ALA 124.A O no hydrogen 2.982 N/A ASN 129.A N ALA 125.A O no hydrogen 2.674 N/A ALA 130.A N ASN 126.A O no hydrogen 3.182 N/A VAL 131.A N LEU 127.A O no hydrogen 2.994 N/A ASP 132.A N LEU 128.A O no hydrogen 2.917 N/A GLN 133.A N ASN 129.A O no hydrogen 2.971 N/A GLN 133.A NE2 SER 137.A OG.B no hydrogen 2.645 N/A GLY 134.A N ALA 130.A O no hydrogen 3.054 N/A GLY 134.A N VAL 131.A O no hydrogen 2.949 N/A LYS 135.A N VAL 131.A O no hydrogen 3.064 N/A LYS 135.A NZ VAL 143.A O no hydrogen 2.934 N/A GLN 136.A N ASP 132.A O no hydrogen 3.051 N/A GLN 136.A NE2.A ASP 132.A OD2 no hydrogen 2.972 N/A GLN 136.A NE2.B ASP 132.A O no hydrogen 3.352 N/A GLN 136.A NE2.B ASP 132.A OD2 no hydrogen 3.422 N/A SER 137.A N GLN 133.A O no hydrogen 3.000 N/A SER 137.A OG.A GLN 133.A O no hydrogen 3.200 N/A SER 137.A OG.A GLY 134.A O no hydrogen 3.293 N/A SER 137.A OG.B GLN 133.A O no hydrogen 2.684 N/A GLY 138.A N LYS 135.A O no hydrogen 3.457 N/A LEU 139.A N GLY 134.A O no hydrogen 2.918 N/A ILE 140.A N GLY 134.A O no hydrogen 2.894 N/A LYS 141.A N VAL 184.A O no hydrogen 2.815 N/A LYS 141.A NZ ALA 183.A O no hydrogen 2.710 N/A LYS 141.A NZ ALA 185.A O no hydrogen 3.017 N/A VAL 143.A N LYS 141.A O no hydrogen 2.815 N/A LEU 147.A N PRO 144.A O no hydrogen 3.072 N/A GLU 149.A N PHE 145.A O no hydrogen 2.840 N/A THR 150.A N PRO 146.A O no hydrogen 3.026 N/A THR 150.A OG1 PRO 146.A O no hydrogen 2.703 N/A PHE 151.A N LEU 147.A O no hydrogen 3.204 N/A ARG 153.A N GLU 149.A O no hydrogen 2.797 N/A ARG 153.A NH1 GLU 105.A OE1 no hydrogen 2.961 N/A ARG 153.A NH1 GLU 105.A OE2 no hydrogen 3.288 N/A ARG 153.A NH2 GLU 105.A OE2 no hydrogen 3.022 N/A ILE 155.A N PHE 152.A O no hydrogen 3.178 N/A HIS 157.A N ARG 153.A O no hydrogen 3.369 N/A LEU 158.A N PRO 154.A O no hydrogen 2.930 N/A VAL 159.A N ILE 155.A O no hydrogen 2.897 N/A GLN 160.A N TYR 156.A O no hydrogen 3.095 N/A ARG 161.A N HIS 157.A O no hydrogen 3.043 N/A ARG 161.A NE SER 166.A OG no hydrogen 3.018 N/A ARG 161.A NH2 SER 166.A O no hydrogen 3.412 N/A CYS 162.A N LEU 158.A O no hydrogen 2.870 N/A CYS 162.A SG.A LEU 158.A O no hydrogen 3.211 N/A CYS 162.A SG.A PHE 167.A O no hydrogen 3.694 N/A CYS 162.A SG.B PHE 167.A O no hydrogen 3.725 N/A LEU 163.A N VAL 159.A O no hydrogen 2.987 N/A GLN 164.A N GLN 160.A O no hydrogen 2.908 N/A GLY 165.A N CYS 162.A O no hydrogen 3.239 N/A SER 166.A N ARG 161.A O no hydrogen 2.957 N/A SER 166.A OG ARG 161.A O no hydrogen 3.374 N/A THR 170.A N GLU 168.A O no hydrogen 2.844 N/A GLU 172.A N GLU 172.A OE1 no hydrogen 2.712 N/A HIS 173.A N THR 170.A OG1 no hydrogen 3.005 N/A HIS 173.A ND1 GLU 168.A O no hydrogen 2.760 N/A ILE 174.A N THR 170.A O no hydrogen 2.833 N/A GLU 175.A N ASP 171.A O no hydrogen 2.968 N/A LEU 176.A N GLU 172.A O no hydrogen 3.004 N/A ALA 177.A N HIS 173.A O no hydrogen 3.035 N/A PHE 178.A N ILE 174.A O no hydrogen 3.009 N/A ASN 179.A N GLU 175.A O no hydrogen 2.830 N/A TRP 181.A N PHE 178.A O no hydrogen 2.759 N/A ASP 182.A N ASN 179.A O no hydrogen 3.002 N/A VAL 184.A N ALA 180.A O no hydrogen 3.182 N/A VAL 184.A N TRP 181.A O no hydrogen 3.044 N/A ALA 185.A N TRP 181.A O no hydrogen 2.798 N/A ASP 186.A N LEU 139.A O no hydrogen 2.900 N/A ARG 187.A NH2 ASP 182.A O no hydrogen 2.808 N/A