Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3llu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH1 ILE 73.A O no hydrogen 3.105 N/A ILE 4.A N GLN 53.A O no hydrogen 2.864 N/A LEU 5.A N ALA 79.A O no hydrogen 2.982 N/A LEU 6.A N TRP 55.A O no hydrogen 2.858 N/A MET 7.A N ILE 81.A O no hydrogen 2.917 N/A ARG 10.A NE GLN 60.A OE1.B no hydrogen 2.789 N/A ARG 10.A NH1 THR 36.A O no hydrogen 2.843 N/A ARG 10.A NH2 THR 36.A O no hydrogen 3.097 N/A SER 12.A N LEU 9.A O no hydrogen 3.157 N/A SER 12.A OG LEU 9.A O no hydrogen 2.723 N/A LYS 14.A NZ GLY 8.A O no hydrogen 3.059 N/A SER 15.A OG THR 36.A OG1 no hydrogen 2.836 N/A SER 15.A OG ASP 56.A OD1 no hydrogen 3.517 N/A SER 15.A OG ASP 56.A OD2 no hydrogen 2.640 N/A ILE 17.A N GLY 13.A O no hydrogen 2.990 N/A GLN 18.A N LYS 14.A O no hydrogen 3.193 N/A GLN 18.A NE2.A ASP 56.A OD2 no hydrogen 2.985 N/A GLN 18.A NE2.B ILE 54.A O no hydrogen 3.520 N/A LYS 19.A N SER 15.A O no hydrogen 2.871 N/A VAL 20.A N SER 16.A O no hydrogen 2.837 N/A VAL 21.A N ILE 17.A O no hydrogen 2.926 N/A PHE 22.A N GLN 18.A O no hydrogen 2.944 N/A HIS 23.A N LYS 19.A O no hydrogen 2.956 N/A HIS 23.A NE2 ASP 42.A OD2 no hydrogen 2.526 N/A MET 25.A N LYS 19.A O no hydrogen 3.193 N/A SER 26.A N GLU 29.A OE2 no hydrogen 2.872 N/A ASN 28.A N SER 26.A OG no hydrogen 3.283 N/A GLU 29.A N SER 26.A O no hydrogen 2.993 N/A THR 30.A N PRO 27.A O no hydrogen 3.100 N/A THR 30.A OG1 PRO 27.A O no hydrogen 2.698 N/A PHE 32.A N GLU 29.A O no hydrogen 3.038 N/A LEU 33.A N THR 30.A O no hydrogen 3.104 N/A SER 35.A N GLU 34.A OE2 no hydrogen 2.834 N/A THR 36.A OG1 SER 15.A OG no hydrogen 2.836 N/A TYR 40.A N ASP 56.A O no hydrogen 2.997 N/A ASP 42.A N ILE 54.A O no hydrogen 2.826 N/A ILE 44.A N PHE 52.A O no hydrogen 2.864 N/A SER 48.A N ASN 46.A OD1 no hydrogen 2.791 N/A PHE 49.A N ASN 46.A O no hydrogen 3.029 N/A ASN 51.A ND2 SER 45.A O no hydrogen 3.577 N/A PHE 52.A N ILE 44.A O no hydrogen 3.268 N/A GLN 53.A N PRO 2.A O no hydrogen 2.874 N/A GLN 53.A NE2.A ASP 43.A OD1 no hydrogen 2.417 N/A ILE 54.A N ASP 42.A O no hydrogen 2.874 N/A TRP 55.A N ILE 4.A O no hydrogen 2.909 N/A TRP 55.A NE1 GLN 53.A OE1.A no hydrogen 2.708 N/A ASP 56.A N TYR 40.A O no hydrogen 2.829 N/A PHE 57.A N LEU 6.A O no hydrogen 3.208 N/A GLN 60.A N.A GLY 8.A O no hydrogen 3.201 N/A PHE 64.A N ASP 62.A OD1 no hydrogen 2.873 N/A ASP 65.A N ASP 62.A O no hydrogen 3.082 N/A THR 67.A N ASP 65.A OD1 no hydrogen 2.754 N/A PHE 68.A N ASP 65.A O no hydrogen 3.214 N/A TYR 70.A OH.A ASP 62.A O no hydrogen 2.749 N/A MET 72.A N ASP 69.A OD1 no hydrogen 3.170 N/A ILE 73.A N ASP 69.A O no hydrogen 3.083 N/A PHE 74.A N TYR 70.A O no hydrogen 2.801 N/A ARG 75.A N GLU 71.A O no hydrogen 2.944 N/A ARG 75.A NE GLU 71.A OE2.A no hydrogen 2.890 N/A ARG 75.A NH2 GLU 71.A OE2.A no hydrogen 2.898 N/A GLY 76.A N MET 72.A O no hydrogen 3.361 N/A GLY 76.A N ILE 73.A O no hydrogen 3.154 N/A THR 77.A N PHE 74.A O no hydrogen 3.080 N/A THR 77.A OG1 ILE 73.A O no hydrogen 2.773 N/A GLY 78.A N ARG 3.A O no hydrogen 2.894 N/A ALA 79.A N ARG 3.A O no hydrogen 3.337 N/A LEU 80.A N ASN 112.A O no hydrogen 2.876 N/A ILE 81.A N LEU 5.A O no hydrogen 2.821 N/A TYR 82.A N GLU 114.A O no hydrogen 2.840 N/A TYR 82.A OH ALA 93.A O no hydrogen 3.408 N/A VAL 83.A N MET 7.A O no hydrogen 2.813 N/A ILE 84.A N PHE 116.A O no hydrogen 2.851 N/A ALA 86.A N HIS 118.A O no hydrogen 2.860 N/A GLN 87.A N ASP 85.A OD1 no hydrogen 2.890 N/A GLN 87.A NE2 LYS 119.A O no hydrogen 2.923 N/A ASP 88.A N ASP 85.A O no hydrogen 3.186 N/A ASP 89.A N ASP 88.A OD1 no hydrogen 2.880 N/A TYR 90.A OH ASP 134.A OD2 no hydrogen 2.610 N/A MET 91.A N ASP 89.A OD2 no hydrogen 3.024 N/A LEU 94.A N TYR 90.A O no hydrogen 2.915 N/A THR 95.A N MET 91.A O no hydrogen 3.060 N/A THR 95.A OG1 MET 91.A O no hydrogen 3.194 N/A ARG 96.A N GLU 92.A O no hydrogen 2.887 N/A ARG 96.A NH1 MET 61.A O.A no hydrogen 3.331 N/A ARG 96.A NH1 MET 61.A O.B no hydrogen 3.453 N/A ARG 96.A NH2 MET 61.A O.A no hydrogen 2.791 N/A ARG 96.A NH2 MET 61.A O.B no hydrogen 2.757 N/A LEU 97.A N ALA 93.A O no hydrogen 2.782 N/A HIS 98.A N LEU 94.A O no hydrogen 3.081 N/A ILE 99.A N THR 95.A O no hydrogen 3.111 N/A THR 100.A N ARG 96.A O no hydrogen 2.907 N/A THR 100.A OG1 ARG 96.A O no hydrogen 2.769 N/A VAL 101.A N LEU 97.A O no hydrogen 2.906 N/A SER 102.A N HIS 98.A O no hydrogen 2.971 N/A SER 102.A OG.A HIS 98.A O no hydrogen 2.718 N/A SER 102.A OG.A ILE 99.A O no hydrogen 2.947 N/A LYS 103.A N ILE 99.A O no hydrogen 3.132 N/A LYS 103.A NZ TYR 70.A OH.B no hydrogen 2.910 N/A ALA 104.A N THR 100.A O no hydrogen 3.022 N/A TYR 105.A N VAL 101.A O no hydrogen 2.835 N/A LYS 106.A N SER 102.A O no hydrogen 3.162 N/A VAL 107.A N ALA 104.A O no hydrogen 3.206 N/A ASN 108.A N ALA 104.A O no hydrogen 2.861 N/A ASN 108.A ND2 PHE 74.A O no hydrogen 3.319 N/A ASP 110.A N ASN 108.A OD1 no hydrogen 3.141 N/A MET 111.A N ASN 108.A O no hydrogen 3.050 N/A ASN 112.A N GLY 78.A O no hydrogen 3.001 N/A GLU 114.A N LEU 80.A O no hydrogen 2.964 N/A VAL 115.A N SER 154.A O no hydrogen 2.772 N/A PHE 116.A N TYR 82.A O no hydrogen 2.899 N/A ILE 117.A N TYR 156.A O no hydrogen 2.750 N/A HIS 118.A N ILE 84.A O no hydrogen 2.781 N/A HIS 118.A ND1 THR 158.A OG1 no hydrogen 2.767 N/A LYS 119.A NZ ARG 11.A O no hydrogen 2.724 N/A LYS 119.A NZ ASP 85.A OD2 no hydrogen 2.861 N/A VAL 120.A N THR 158.A O no hydrogen 3.148 N/A GLY 122.A N LYS 119.A O no hydrogen 3.316 N/A LEU 123.A N VAL 120.A O no hydrogen 3.004 N/A HIS 127.A N SER 124.A OG no hydrogen 3.156 N/A LYS 128.A N SER 124.A O no hydrogen 2.858 N/A LYS 128.A NZ ASP 125.A OD1 no hydrogen 2.985 N/A ILE 129.A N ASP 125.A O no hydrogen 3.204 N/A GLU 130.A N ASP 126.A O no hydrogen 3.049 N/A THR 131.A N HIS 127.A O no hydrogen 2.871 N/A THR 131.A OG1 HIS 127.A O no hydrogen 2.758 N/A GLN 132.A N LYS 128.A O no hydrogen 2.931 N/A ARG 133.A N ILE 129.A O no hydrogen 2.940 N/A ARG 133.A NE GLN 137.A OE1 no hydrogen 2.824 N/A ARG 133.A NH2 GLN 137.A OE1 no hydrogen 3.568 N/A ASP 134.A N GLU 130.A O no hydrogen 2.994 N/A ILE 135.A N THR 131.A O no hydrogen 2.948 N/A HIS 136.A N GLN 132.A O no hydrogen 2.810 N/A GLN 137.A N ARG 133.A O no hydrogen 2.923 N/A ARG 138.A N ASP 134.A O no hydrogen 2.928 N/A ARG 138.A NE ASP 134.A OD1 no hydrogen 2.898 N/A ARG 138.A NE ASP 134.A OD2 no hydrogen 3.426 N/A ALA 139.A N ILE 135.A O no hydrogen 2.846 N/A ASN 140.A N HIS 136.A O no hydrogen 2.952 N/A ASP 141.A N GLN 137.A O no hydrogen 2.895 N/A ASP 142.A N ARG 138.A O no hydrogen 2.985 N/A LEU 143.A N ALA 139.A O no hydrogen 3.031 N/A ALA 144.A N ASN 140.A O no hydrogen 2.882 N/A ASP 145.A N ASP 141.A O no hydrogen 2.938 N/A ALA 146.A N ASP 142.A O no hydrogen 3.212 N/A ALA 146.A N LEU 143.A O no hydrogen 3.104 N/A GLY 147.A N ALA 144.A O no hydrogen 3.048 N/A LEU 148.A N LEU 143.A O no hydrogen 2.784 N/A GLU 149.A N GLU 149.A OE1 no hydrogen 2.804 N/A LEU 151.A N LEU 148.A O no hydrogen 3.017 N/A SER 154.A N PHE 113.A O no hydrogen 3.032 N/A SER 154.A OG HIS 152.A NE2 no hydrogen 3.313 N/A TYR 156.A N VAL 115.A O no hydrogen 2.936 N/A TYR 156.A OH GLU 114.A OE1 no hydrogen 2.604 N/A THR 158.A N ILE 117.A O no hydrogen 2.857 N/A THR 158.A OG1 HIS 118.A ND1 no hydrogen 2.767 N/A SER 159.A N SER 164.A OG no hydrogen 2.893 N/A SER 159.A OG ASP 121.A OD1 no hydrogen 2.717 N/A TYR 161.A N SER 159.A OG no hydrogen 3.015 N/A SER 164.A N ASP 162.A OD1 no hydrogen 2.885 N/A SER 164.A OG SER 159.A O no hydrogen 3.478 N/A SER 164.A OG ASP 162.A OD1 no hydrogen 2.624 N/A GLU 167.A N HIS 163.A O no hydrogen 3.012 N/A ALA 168.A N SER 164.A O no hydrogen 2.917 N/A PHE 169.A N ILE 165.A O no hydrogen 2.982 N/A SER 170.A N PHE 166.A O no hydrogen 2.875 N/A LYS 171.A N GLU 167.A O no hydrogen 2.977 N/A VAL 172.A N ALA 168.A O no hydrogen 3.100 N/A VAL 173.A N PHE 169.A O no hydrogen 3.034 N/A GLN 174.A N SER 170.A O no hydrogen 2.874 N/A LYS 175.A N LYS 171.A O no hydrogen 3.254 N/A LYS 175.A NZ GLU 114.A OE1 no hydrogen 3.308 N/A LYS 175.A NZ GLU 114.A OE2 no hydrogen 2.830 N/A LEU 176.A N VAL 173.A O no hydrogen 2.910 N/A ILE 177.A N GLN 174.A O no hydrogen 3.459 N/A