Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3iug_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N ASP 58.A OD1 no hydrogen 2.694 N/A PHE 5.A N ASP 58.A OD1 no hydrogen 2.776 N/A CYS 7.A N VAL 4.A O no hydrogen 3.140 N/A CYS 7.A SG ASP 8.A O no hydrogen 3.632 N/A GLU 11.A N ASP 8.A OD2 no hydrogen 3.005 N/A HIS 12.A N ASP 8.A O no hydrogen 2.788 N/A LEU 13.A N LEU 9.A O no hydrogen 3.014 N/A LEU 14.A N GLY 10.A O no hydrogen 3.039 N/A ASN 15.A N GLU 11.A O no hydrogen 3.027 N/A SER 16.A N HIS 12.A O no hydrogen 2.880 N/A SER 16.A OG HIS 12.A O no hydrogen 3.406 N/A GLY 17.A N LEU 13.A O no hydrogen 2.974 N/A PHE 18.A N SER 16.A OG no hydrogen 3.270 N/A GLN 22.A NE2 GLN 22.A O no hydrogen 3.281 N/A GLN 22.A NE2 SER 26.A OG no hydrogen 3.162 N/A GLN 25.A N PRO 21.A O no hydrogen 3.000 N/A GLN 25.A NE2 VAL 20.A O no hydrogen 2.999 N/A SER 26.A N GLN 22.A O no hydrogen 2.814 N/A SER 26.A OG GLN 22.A O no hydrogen 3.152 N/A CYS 27.A N VAL 23.A O no hydrogen 2.929 N/A CYS 27.A SG VAL 23.A O no hydrogen 3.294 N/A CYS 27.A SG VAL 77.A O no hydrogen 3.755 N/A THR 28.A N LEU 24.A O no hydrogen 2.965 N/A THR 28.A OG1 LEU 24.A O no hydrogen 2.943 N/A THR 28.A OG1 GLN 25.A O no hydrogen 3.149 N/A ALA 29.A N GLN 25.A O no hydrogen 2.964 N/A PHE 30.A N SER 26.A O no hydrogen 3.075 N/A ILE 31.A N CYS 27.A O no hydrogen 2.938 N/A GLU 32.A N THR 28.A O no hydrogen 2.840 N/A ARG 33.A N PHE 30.A O no hydrogen 3.192 N/A TYR 34.A N PHE 30.A O no hydrogen 2.728 N/A GLY 35.A N ILE 31.A O no hydrogen 2.769 N/A VAL 37.A N GLY 35.A O no hydrogen 2.872 N/A GLY 39.A N THR 149.A O no hydrogen 2.901 N/A ILE 40.A N VAL 37.A O no hydrogen 3.228 N/A TYR 41.A OH HIS 138.A NE2 no hydrogen 2.821 N/A ARG 42.A N GLY 39.A O no hydrogen 2.908 N/A ARG 42.A NH1 ASP 38.A OD1 no hydrogen 3.396 N/A ARG 42.A NH2 ASP 38.A OD2 no hydrogen 3.001 N/A LEU 43.A N GLY 39.A O no hydrogen 2.910 N/A GLY 45.A N SER 79.A OG no hydrogen 3.139 N/A SER 48.A OG ASN 49.A OD1 no hydrogen 3.448 N/A ASN 49.A ND2 ASP 73.A OD2 no hydrogen 2.934 N/A ILE 50.A N VAL 46.A O no hydrogen 3.003 N/A GLN 51.A N ALA 47.A O no hydrogen 2.898 N/A ARG 52.A N SER 48.A O no hydrogen 3.068 N/A LEU 53.A N ASN 49.A O no hydrogen 3.152 N/A ARG 54.A N ILE 50.A O no hydrogen 2.906 N/A ARG 54.A NE GLU 87.A OE2 no hydrogen 2.811 N/A ARG 54.A NH2 GLU 87.A OE1 no hydrogen 2.736 N/A ARG 54.A NH2 GLU 87.A OE2 no hydrogen 3.466 N/A HIS 55.A N GLN 51.A O no hydrogen 2.938 N/A GLU 56.A N ARG 52.A O no hydrogen 3.106 N/A PHE 57.A N LEU 53.A O no hydrogen 2.950 N/A ASP 58.A N ARG 54.A O no hydrogen 2.777 N/A SER 59.A N HIS 55.A O no hydrogen 3.293 N/A SER 59.A N GLU 56.A O no hydrogen 3.092 N/A SER 59.A OG.A HIS 55.A O no hydrogen 2.984 N/A SER 59.A OG.B GLU 56.A O no hydrogen 2.674 N/A GLU 60.A N PHE 57.A O no hydrogen 2.834 N/A HIS 61.A N GLU 56.A O no hydrogen 3.060 N/A HIS 61.A N SER 59.A OG.B no hydrogen 3.130 N/A HIS 61.A ND1 GLU 56.A OE1 no hydrogen 2.732 N/A THR 66.A OG1 ASP 64.A OD1 no hydrogen 3.238 N/A LYS 67.A N ASP 64.A O no hydrogen 3.345 N/A TYR 70.A OH GLU 56.A OE2 no hydrogen 2.673 N/A VAL 71.A N LYS 67.A O no hydrogen 3.078 N/A ASP 73.A N TYR 70.A O no hydrogen 3.124 N/A ILE 74.A N GLN 72.A O no hydrogen 3.088 N/A SER 76.A N ASP 73.A OD1 no hydrogen 2.774 N/A SER 76.A OG ASP 73.A OD1 no hydrogen 3.150 N/A SER 76.A OG ASP 73.A OD2 no hydrogen 2.995 N/A VAL 77.A N ILE 74.A O no hydrogen 2.955 N/A GLY 78.A N ILE 74.A O no hydrogen 3.401 N/A SER 79.A N HIS 75.A O no hydrogen 2.842 N/A SER 79.A OG HIS 75.A O no hydrogen 3.182 N/A LEU 80.A N SER 76.A O no hydrogen 2.876 N/A CYS 81.A N VAL 77.A O no hydrogen 2.986 N/A CYS 81.A SG TYR 41.A OH no hydrogen 3.806 N/A LYS 82.A N GLY 78.A O no hydrogen 3.179 N/A LYS 82.A NZ TYR 41.A O no hydrogen 2.719 N/A LEU 83.A N SER 79.A O no hydrogen 2.929 N/A TYR 84.A N LEU 80.A O no hydrogen 2.925 N/A ARG 86.A N LYS 82.A O no hydrogen 3.034 N/A GLU 87.A N LEU 83.A O no hydrogen 2.954 N/A LEU 88.A N PHE 85.A O no hydrogen 3.249 N/A LEU 93.A N LEU 164.A O no hydrogen 3.007 N/A THR 94.A N PRO 91.A O no hydrogen 2.794 N/A THR 94.A OG1 LEU 93.A O no hydrogen 2.574 N/A TYR 95.A N ASN 90.A OD1 no hydrogen 2.843 N/A LEU 97.A N THR 94.A OG1 no hydrogen 3.252 N/A TYR 98.A N TYR 95.A O no hydrogen 3.391 N/A PHE 101.A N LEU 97.A O no hydrogen 2.887 N/A SER 102.A N TYR 98.A O no hydrogen 3.291 N/A SER 102.A OG TYR 98.A O no hydrogen 3.177 N/A ASP 103.A N GLU 99.A O no hydrogen 2.951 N/A ALA 104.A N LYS 100.A O no hydrogen 2.926 N/A VAL 105.A N PHE 101.A O no hydrogen 3.350 N/A SER 106.A N SER 102.A O no hydrogen 3.248 N/A SER 106.A N ASP 103.A O no hydrogen 3.222 N/A SER 106.A OG SER 102.A O no hydrogen 2.844 N/A ALA 107.A N ALA 104.A O no hydrogen 3.312 N/A GLU 112.A N THR 109.A OG1 no hydrogen 3.380 N/A ARG 113.A N THR 109.A O no hydrogen 2.967 N/A ARG 113.A NE VAL 105.A O no hydrogen 3.004 N/A ARG 113.A NE ALA 107.A O no hydrogen 2.853 N/A ARG 113.A NH1 ASP 110.A OD1 no hydrogen 2.708 N/A LEU 114.A N ASP 110.A O no hydrogen 2.832 N/A ILE 115.A N GLU 111.A O no hydrogen 3.120 N/A LYS 116.A N GLU 112.A O no hydrogen 2.868 N/A LYS 116.A NZ GLU 112.A OE2 no hydrogen 2.957 N/A ILE 117.A N ARG 113.A O no hydrogen 2.867 N/A HIS 118.A N LEU 114.A O no hydrogen 2.923 N/A ASP 119.A N ILE 115.A O no hydrogen 3.030 N/A VAL 120.A N LYS 116.A O no hydrogen 3.172 N/A ILE 121.A N ILE 117.A O no hydrogen 2.892 N/A GLN 122.A N HIS 118.A O no hydrogen 2.990 N/A GLN 123.A N VAL 120.A O no hydrogen 2.982 N/A GLN 123.A NE2.B ASP 119.A O no hydrogen 3.066 N/A LEU 124.A N ILE 121.A O no hydrogen 2.982 N/A HIS 128.A ND1 LEU 92.A O no hydrogen 2.824 N/A TYR 129.A N PRO 125.A O no hydrogen 2.869 N/A ARG 130.A N PRO 126.A O no hydrogen 2.930 N/A ARG 130.A NE GLU 19.A O no hydrogen 2.780 N/A ARG 130.A NH2 GLU 19.A O no hydrogen 3.210 N/A THR 131.A N PRO 127.A O no hydrogen 3.169 N/A THR 131.A OG1 PRO 127.A O no hydrogen 2.707 N/A LEU 132.A N HIS 128.A O no hydrogen 2.879 N/A GLU 133.A N TYR 129.A O no hydrogen 2.967 N/A PHE 134.A N ARG 130.A O no hydrogen 3.015 N/A LEU 135.A N THR 131.A O no hydrogen 2.965 N/A MET 136.A N LEU 132.A O no hydrogen 2.833 N/A ARG 137.A N GLU 133.A O no hydrogen 2.874 N/A ARG 137.A NE GLU 133.A OE2 no hydrogen 2.787 N/A ARG 137.A NH1 ASP 180.A OD1 no hydrogen 3.241 N/A ARG 137.A NH2 GLU 133.A OE2 no hydrogen 3.015 N/A HIS 138.A N PHE 134.A O no hydrogen 3.086 N/A HIS 138.A ND1 GLU 32.A OE2 no hydrogen 2.766 N/A HIS 138.A NE2 TYR 41.A OH no hydrogen 2.821 N/A LEU 139.A N LEU 135.A O no hydrogen 2.906 N/A SER 140.A N MET 136.A O no hydrogen 2.874 N/A LEU 141.A N ARG 137.A O no hydrogen 3.026 N/A LEU 142.A N HIS 138.A O no hydrogen 2.961 N/A ALA 143.A N LEU 139.A O no hydrogen 2.888 N/A ASP 144.A N SER 140.A O no hydrogen 3.327 N/A ASP 144.A N LEU 141.A O no hydrogen 3.113 N/A TYR 145.A N LEU 142.A O no hydrogen 2.884 N/A CYS 146.A N ALA 143.A O no hydrogen 3.122 N/A CYS 146.A SG ALA 143.A O no hydrogen 3.366 N/A ILE 148.A N TYR 145.A O no hydrogen 2.874 N/A THR 149.A N TYR 145.A O no hydrogen 2.962 N/A THR 149.A OG1 TYR 145.A O no hydrogen 3.321 N/A ASN 150.A N CYS 146.A O no hydrogen 2.817 N/A ASN 150.A ND2 ASP 38.A OD1 no hydrogen 2.860 N/A MET 151.A N THR 149.A OG1 no hydrogen 3.017 N/A LYS 154.A NZ GLU 173.A OE1 no hydrogen 3.103 N/A LYS 154.A NZ GLU 173.A OE2 no hydrogen 2.897 N/A LEU 156.A N HIS 152.A O no hydrogen 2.913 N/A ALA 157.A N ALA 153.A O no hydrogen 2.931 N/A ILE 158.A N LYS 154.A O no hydrogen 3.036 N/A VAL 159.A N ASN 155.A O no hydrogen 3.095 N/A TRP 160.A N LEU 156.A O no hydrogen 2.970 N/A ALA 161.A N ALA 157.A O no hydrogen 2.734 N/A ASN 163.A N TRP 160.A O no hydrogen 2.888 N/A ASN 163.A ND2 TRP 160.A O no hydrogen 3.394 N/A LEU 164.A N ALA 161.A O no hydrogen 2.976 N/A LEU 165.A N ALA 161.A O no hydrogen 3.109 N/A ARG 166.A NE ASN 163.A O no hydrogen 3.547 N/A ARG 166.A NH2 PHE 85.A O no hydrogen 2.973 N/A ARG 166.A NH2 LEU 88.A O no hydrogen 2.893 N/A VAL 172.A N GLN 168.A O no hydrogen 3.295 N/A GLU 173.A N SER 169.A O no hydrogen 2.856 N/A PHE 174.A N VAL 170.A O no hydrogen 2.981 N/A ILE 175.A N VAL 171.A O no hydrogen 3.044 N/A LEU 176.A N VAL 172.A O no hydrogen 2.879 N/A ASN 177.A N GLU 173.A O no hydrogen 2.870 N/A HIS 178.A N ILE 175.A O no hydrogen 3.118 N/A HIS 178.A ND1 PHE 174.A O no hydrogen 2.890 N/A VAL 179.A N LEU 176.A O no hydrogen 3.401 N/A LEU 182.A N HIS 178.A O no hydrogen 3.006 N/A PHE 183.A N VAL 179.A O no hydrogen 3.019 N/A SER 184.A OG VAL 181.A O no hydrogen 2.904 N/A