Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4oic_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A NE2 THR 35.A O no hydrogen 2.955 N/A ARG 5.A N HIS 2.A O no hydrogen 3.123 N/A ALA 6.A N HIS 2.A O no hydrogen 2.535 N/A LEU 7.A N VAL 3.A O no hydrogen 2.971 N/A ARG 8.A N ARG 5.A O no hydrogen 2.779 N/A THR 12.A N GLU 15.A OE1 no hydrogen 3.176 N/A THR 12.A OG1 GLU 15.A OE1 no hydrogen 2.664 N/A ARG 16.A N THR 12.A O no hydrogen 2.571 N/A ARG 16.A NE LEU 11.A O no hydrogen 2.770 N/A ALA 17.A N GLU 14.A O no hydrogen 3.251 N/A GLU 20.A N ALA 17.A O no hydrogen 2.868 N/A VAL 23.A N LEU 19.A O no hydrogen 2.953 N/A MET 24.A N GLU 20.A O no hydrogen 2.944 N/A ALA 25.A N ALA 22.A O no hydrogen 2.978 N/A HIS 26.A N ALA 22.A O no hydrogen 2.942 N/A HIS 27.A N VAL 23.A O no hydrogen 3.126 N/A HIS 27.A ND1 SER 145.A OG no hydrogen 3.016 N/A HIS 27.A NE2 SER 129.A OG no hydrogen 2.736 N/A CYS 34.A N VAL 148.A O no hydrogen 2.904 N/A CYS 34.A SG ALA 156.A O no hydrogen 3.911 N/A SER 36.A N TYR 146.A O no hydrogen 3.012 N/A SER 36.A OG ASP 164.A OD1 no hydrogen 3.013 N/A SER 36.A OG ASP 164.A OD2 no hydrogen 3.109 N/A VAL 38.A N GLU 144.A O no hydrogen 2.855 N/A GLN 40.A N VAL 142.A O no hydrogen 2.978 N/A GLN 40.A NE2 ARG 41.A O no hydrogen 2.810 N/A ARG 41.A NE GLU 15.A OE1 no hydrogen 3.378 N/A ARG 41.A NE GLU 15.A OE2 no hydrogen 3.028 N/A ARG 41.A NH2 GLU 15.A OE1 no hydrogen 3.039 N/A VAL 42.A N CYS 140.A O no hydrogen 2.893 N/A ALA 43.A N GLU 179.A OE2 no hydrogen 2.891 N/A ALA 44.A N VAL 42.A O no hydrogen 2.789 N/A VAL 46.A N GLU 132.A OE1 no hydrogen 2.843 N/A ALA 48.A N PRO 45.A O no hydrogen 2.951 N/A VAL 49.A N PRO 45.A O no hydrogen 3.099 N/A TRP 50.A N VAL 46.A O no hydrogen 2.810 N/A TRP 50.A NE1 ASP 105.A OD1 no hydrogen 2.969 N/A ILE 52.A N VAL 49.A O no hydrogen 3.131 N/A VAL 53.A N VAL 49.A O no hydrogen 3.283 N/A ARG 54.A N TRP 50.A O no hydrogen 2.880 N/A ARG 54.A NE ASP 105.A OD1 no hydrogen 2.484 N/A ARG 54.A NH2 ASP 105.A OD1 no hydrogen 3.166 N/A ARG 54.A NH2 ASP 105.A OD2 no hydrogen 2.588 N/A SER 55.A OG PRO 51.A O no hydrogen 2.887 N/A PHE 56.A N ARG 54.A O no hydrogen 2.836 N/A ASN 58.A N SER 55.A O no hydrogen 2.975 N/A GLN 60.A N GLN 60.A OE1 no hydrogen 2.670 N/A ARG 61.A N ASN 58.A O no hydrogen 3.312 N/A TYR 62.A N PRO 59.A O no hydrogen 3.080 N/A LYS 63.A N PRO 59.A O no hydrogen 2.778 N/A VAL 66.A N LYS 63.A O no hydrogen 3.030 N/A ARG 67.A N THR 86.A O no hydrogen 2.647 N/A THR 68.A N THR 86.A O no hydrogen 3.074 N/A CYS 69.A SG GLY 57.A O no hydrogen 3.827 N/A ALA 70.A N GLU 84.A O no hydrogen 2.922 N/A ALA 73.A N VAL 82.A O no hydrogen 3.174 N/A GLY 76.A N SER 81.A OG no hydrogen 2.970 N/A ALA 77.A N ASP 75.A OD1 no hydrogen 3.002 N/A SER 78.A N ASP 75.A OD1 no hydrogen 2.767 N/A SER 78.A OG ASP 75.A OD1 no hydrogen 3.243 N/A SER 78.A OG ASP 75.A OD2 no hydrogen 3.067 N/A GLY 80.A N LEU 100.A O no hydrogen 2.895 N/A SER 81.A N SER 78.A O no hydrogen 3.003 N/A SER 81.A OG SER 78.A O no hydrogen 2.761 N/A VAL 82.A N ALA 73.A O no hydrogen 2.782 N/A ARG 83.A N GLU 98.A O no hydrogen 2.906 N/A ARG 83.A NE GLU 98.A OE1 no hydrogen 2.697 N/A ARG 83.A NH1 PHE 56.A O no hydrogen 2.854 N/A ARG 83.A NH2 GLU 98.A OE1 no hydrogen 2.962 N/A GLU 84.A N ALA 70.A O no hydrogen 2.810 N/A VAL 85.A N SER 96.A O no hydrogen 2.831 N/A THR 86.A N THR 68.A O no hydrogen 2.872 N/A THR 86.A OG1 THR 68.A OG1 no hydrogen 3.403 N/A VAL 87.A N SER 94.A O no hydrogen 3.005 N/A VAL 88.A N PHE 65.A O no hydrogen 2.879 N/A SER 94.A N GLN 118.A O no hydrogen 2.867 N/A SER 94.A OG GLN 118.A OE1 no hydrogen 3.350 N/A THR 95.A N GLN 118.A O no hydrogen 3.513 N/A SER 96.A N VAL 85.A O no hydrogen 2.869 N/A SER 96.A OG GLU 98.A OE2 no hydrogen 2.732 N/A SER 96.A OG GLY 116.A O no hydrogen 3.493 N/A THR 97.A N GLY 116.A O no hydrogen 2.571 N/A GLU 98.A N ARG 83.A O no hydrogen 2.914 N/A ARG 99.A N ARG 113.A O no hydrogen 2.741 N/A LEU 100.A N SER 81.A O no hydrogen 2.650 N/A GLU 101.A N SER 111.A O no hydrogen 2.772 N/A MET 102.A N SER 111.A O no hydrogen 2.973 N/A ASP 104.A N ILE 109.A O no hydrogen 2.851 N/A ASP 106.A N ASP 104.A OD1 no hydrogen 2.958 N/A ARG 107.A N ASP 104.A OD1 no hydrogen 2.896 N/A ARG 107.A NH1 ASP 104.A OD2 no hydrogen 2.710 N/A ILE 109.A N ASP 104.A O no hydrogen 3.004 N/A ILE 110.A N THR 128.A O no hydrogen 2.936 N/A SER 111.A N MET 102.A O no hydrogen 2.851 N/A SER 111.A OG SER 126.A O no hydrogen 2.505 N/A PHE 112.A N SER 126.A O no hydrogen 3.059 N/A ARG 113.A N ARG 99.A O no hydrogen 3.021 N/A VAL 114.A N TYR 124.A O no hydrogen 2.783 N/A VAL 115.A N THR 97.A O no hydrogen 2.670 N/A GLN 118.A N THR 95.A O no hydrogen 3.070 N/A GLN 118.A N THR 95.A OG1 no hydrogen 3.012 N/A HIS 119.A NE2 GLY 116.A O no hydrogen 3.112 N/A ARG 120.A NH1 ASN 154.A OD1 no hydrogen 2.986 N/A ARG 120.A NH2 ASN 154.A OD1 no hydrogen 2.969 N/A LEU 121.A N HIS 119.A ND1 no hydrogen 2.938 N/A ARG 122.A NH1 GLY 117.A O no hydrogen 2.678 N/A ARG 122.A NH1 HIS 119.A O no hydrogen 2.868 N/A ARG 122.A NH2 GLY 117.A O no hydrogen 3.086 N/A ASN 123.A ND2 ASP 149.A OD2 no hydrogen 2.886 N/A TYR 124.A N LEU 121.A O no hydrogen 3.374 N/A ARG 125.A N VAL 147.A O no hydrogen 2.912 N/A SER 126.A N PHE 112.A O no hydrogen 2.951 N/A VAL 127.A N SER 145.A O no hydrogen 2.891 N/A THR 128.A N ILE 110.A O no hydrogen 2.839 N/A THR 128.A OG1 GLU 144.A OE1 no hydrogen 2.232 N/A SER 129.A N VAL 143.A O no hydrogen 2.876 N/A SER 129.A OG HIS 27.A NE2 no hydrogen 2.736 N/A VAL 130.A N HIS 108.A O no hydrogen 3.100 N/A THR 131.A N VAL 141.A O no hydrogen 2.957 N/A PHE 133.A N TYR 139.A O no hydrogen 2.812 N/A TYR 139.A N PHE 133.A O no hydrogen 2.960 N/A TYR 139.A OH GLU 15.A OE2 no hydrogen 2.612 N/A CYS 140.A N VAL 42.A O no hydrogen 2.855 N/A CYS 140.A SG ALA 44.A O no hydrogen 3.302 N/A VAL 141.A N THR 131.A O no hydrogen 2.862 N/A VAL 142.A N GLN 40.A O no hydrogen 2.909 N/A VAL 143.A N SER 129.A O no hydrogen 2.884 N/A GLU 144.A N VAL 38.A O no hydrogen 2.930 N/A SER 145.A N VAL 127.A O no hydrogen 2.895 N/A SER 145.A OG HIS 27.A ND1 no hydrogen 3.016 N/A SER 145.A OG HIS 27.A O no hydrogen 2.774 N/A TYR 146.A N SER 36.A O no hydrogen 3.000 N/A TYR 146.A OH ASP 164.A OD1 no hydrogen 2.599 N/A VAL 147.A N ARG 125.A O no hydrogen 2.966 N/A VAL 148.A N CYS 34.A O no hydrogen 2.949 N/A ASP 149.A N ARG 122.A O no hydrogen 3.167 N/A VAL 150.A N ALA 32.A O no hydrogen 3.042 N/A ASN 154.A N PRO 151.A O no hydrogen 3.218 N/A ASN 154.A ND2 ASP 158.A OD2 no hydrogen 3.177 N/A THR 155.A N ASP 158.A OD2 no hydrogen 2.928 N/A ASP 158.A N THR 155.A OG1 no hydrogen 2.967 N/A THR 159.A N THR 155.A O no hydrogen 3.119 N/A THR 159.A OG1 THR 155.A O no hydrogen 2.858 N/A ARG 160.A N ALA 156.A O no hydrogen 2.843 N/A ARG 160.A NE THR 35.A O no hydrogen 3.238 N/A MET 161.A N GLU 157.A O no hydrogen 2.888 N/A PHE 162.A N ASP 158.A O no hydrogen 2.922 N/A THR 163.A N THR 159.A O no hydrogen 2.908 N/A THR 163.A OG1 THR 159.A O no hydrogen 2.759 N/A ASP 164.A N ARG 160.A O no hydrogen 2.837 N/A THR 165.A N MET 161.A O no hydrogen 3.049 N/A THR 165.A OG1 MET 161.A O no hydrogen 2.664 N/A VAL 166.A N PHE 162.A O no hydrogen 3.097 N/A VAL 167.A N THR 163.A O no hydrogen 2.892 N/A LYS 168.A N ASP 164.A O no hydrogen 2.854 N/A LYS 168.A NZ THR 39.A O no hydrogen 3.105 N/A LYS 168.A NZ GLN 40.A OE1 no hydrogen 2.826 N/A LEU 169.A N THR 165.A O no hydrogen 3.068 N/A ASN 170.A N VAL 166.A O no hydrogen 2.938 N/A LEU 171.A N VAL 167.A O no hydrogen 2.895 N/A GLN 172.A N LYS 168.A O no hydrogen 2.947 N/A MET 173.A N LEU 169.A O no hydrogen 2.932 N/A LEU 174.A N ASN 170.A O no hydrogen 2.909 N/A ALA 175.A N LEU 171.A O no hydrogen 2.919 N/A ALA 176.A N GLN 172.A O no hydrogen 2.971 N/A VAL 177.A N MET 173.A O no hydrogen 2.848 N/A ALA 178.A N LEU 174.A O no hydrogen 2.926 N/A GLU 179.A N ALA 175.A O no hydrogen 2.915 N/A ASP 180.A N ALA 176.A O no hydrogen 2.945 N/A ASP 180.A N VAL 177.A O no hydrogen 3.116 N/A SER 181.A OG VAL 177.A O no hydrogen 3.273 N/A SER 181.A OG ALA 178.A O no hydrogen 3.124 N/A