Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4u4p_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N PHE 1.A O no hydrogen 2.795 N/A HIS 6.A N LYS 2.A O no hydrogen 2.979 N/A HIS 6.A ND1 LYS 2.A O no hydrogen 3.075 N/A ASP 7.A N SER 3.A O no hydrogen 2.896 N/A LEU 8.A N LEU 4.A O no hydrogen 3.244 N/A LEU 8.A N VAL 5.A O no hydrogen 3.022 N/A PHE 9.A N VAL 5.A O no hydrogen 3.016 N/A GLN 10.A N HIS 6.A O no hydrogen 2.884 N/A LYS 11.A N ASP 7.A O no hydrogen 3.043 N/A VAL 12.A N LEU 8.A O no hydrogen 2.989 N/A GLU 13.A N PHE 9.A O no hydrogen 2.874 N/A GLU 14.A N GLN 10.A O no hydrogen 2.896 N/A ALA 15.A N LYS 11.A O no hydrogen 3.089 N/A LYS 16.A N VAL 12.A O no hydrogen 3.029 N/A SER 17.A N GLU 13.A O no hydrogen 2.852 N/A SER 18.A N GLU 14.A O no hydrogen 2.881 N/A SER 18.A OG GLU 14.A O no hydrogen 3.324 N/A LEU 19.A N ALA 15.A O no hydrogen 3.028 N/A ALA 20.A N LYS 16.A O no hydrogen 2.993 N/A MET 21.A N SER 17.A O no hydrogen 2.865 N/A ASN 22.A N SER 18.A O no hydrogen 2.862 N/A ARG 23.A N LEU 19.A O no hydrogen 3.065 N/A SER 24.A N ALA 20.A O no hydrogen 2.937 N/A ARG 25.A N MET 21.A O no hydrogen 2.960 N/A GLY 26.A N ASN 22.A O no hydrogen 3.117 N/A LYS 27.A N ARG 23.A O no hydrogen 2.852 N/A VAL 28.A N SER 24.A O no hydrogen 2.894 N/A LEU 29.A N ARG 25.A O no hydrogen 3.010 N/A ASP 30.A N GLY 26.A O no hydrogen 2.946 N/A ALA 31.A N LYS 27.A O no hydrogen 3.012 N/A ILE 32.A N VAL 28.A O no hydrogen 2.988 N/A ILE 33.A N LEU 29.A O no hydrogen 2.848 N/A GLN 34.A N ASP 30.A O no hydrogen 2.953 N/A GLU 35.A N ALA 31.A O no hydrogen 3.143 N/A LYS 36.A N ILE 32.A O no hydrogen 3.028 N/A LYS 36.A NZ TYR 45.A O no hydrogen 2.698 N/A LYS 37.A N ILE 33.A O no hydrogen 2.823 N/A SER 38.A N GLN 34.A O no hydrogen 2.876 N/A SER 38.A OG GLN 34.A O no hydrogen 2.960 N/A SER 38.A OG GLU 35.A O no hydrogen 3.153 N/A GLY 39.A N LYS 36.A O no hydrogen 3.031 N/A ARG 40.A N SER 38.A OG no hydrogen 3.223 N/A ARG 40.A NE GLU 35.A OE1 no hydrogen 2.946 N/A ARG 40.A NE GLU 35.A OE2 no hydrogen 3.234 N/A ARG 40.A NH2 GLN 34.A OE1 no hydrogen 2.957 N/A ARG 40.A NH2 GLU 35.A OE2 no hydrogen 2.877 N/A ILE 41.A N GLU 35.A O no hydrogen 3.259 N/A TYR 45.A N VAL 73.A O no hydrogen 2.812 N/A TYR 45.A OH ASP 75.A OD1 no hydrogen 3.003 N/A GLY 46.A N VAL 73.A O no hydrogen 3.345 N/A ARG 47.A NE ASP 70.A OD1 no hydrogen 3.447 N/A ARG 47.A NH1 ASP 70.A OD1 no hydrogen 2.878 N/A ARG 47.A NH1 ARG 191.A O no hydrogen 2.771 N/A ARG 47.A NH2 ASP 50.A OD1 no hydrogen 2.934 N/A ARG 47.A NH2 ARG 191.A O no hydrogen 3.098 N/A LEU 48.A N TYR 71.A O no hydrogen 2.917 N/A GLY 49.A N LEU 69.A O no hydrogen 2.927 N/A ASP 50.A N ARG 47.A O no hydrogen 3.115 N/A LEU 51.A N LEU 48.A O no hydrogen 2.892 N/A ALA 53.A N LYS 127.A O no hydrogen 3.030 N/A ILE 54.A N SER 194.A O no hydrogen 3.310 N/A LYS 57.A N ASP 55.A OD1 no hydrogen 2.953 N/A TYR 58.A N ASP 55.A O no hydrogen 2.894 N/A ASP 59.A N GLU 56.A O no hydrogen 3.073 N/A ILE 62.A N TYR 58.A O no hydrogen 2.998 N/A SER 63.A N ASP 59.A O no hydrogen 3.016 N/A SER 63.A OG ASP 59.A O no hydrogen 2.820 N/A SER 63.A OG ASP 59.A OD1 no hydrogen 3.149 N/A SER 64.A N VAL 60.A O no hydrogen 2.846 N/A SER 64.A OG VAL 60.A O no hydrogen 2.673 N/A CYS 65.A N ALA 61.A O no hydrogen 3.051 N/A CYS 65.A SG ALA 61.A O no hydrogen 3.396 N/A CYS 66.A N ILE 62.A O no hydrogen 3.062 N/A LEU 69.A N CYS 66.A O no hydrogen 3.177 N/A ASP 70.A N HIS 67.A O no hydrogen 3.024 N/A TYR 71.A N ALA 68.A O no hydrogen 2.878 N/A ILE 72.A N THR 96.A O no hydrogen 2.812 N/A VAL 73.A N GLY 46.A O no hydrogen 2.771 N/A VAL 74.A N ILE 98.A O no hydrogen 3.015 N/A ASP 75.A N GLY 43.A O no hydrogen 2.777 N/A ILE 79.A N SER 76.A OG no hydrogen 3.254 N/A ALA 80.A N SER 76.A O no hydrogen 3.043 N/A GLN 81.A N ILE 77.A O no hydrogen 2.809 N/A GLU 82.A N ASP 78.A O no hydrogen 3.136 N/A CYS 83.A N ILE 79.A O no hydrogen 2.936 N/A CYS 83.A SG ILE 79.A O no hydrogen 3.475 N/A VAL 84.A N ALA 80.A O no hydrogen 2.952 N/A ASN 85.A N GLN 81.A O no hydrogen 2.958 N/A PHE 86.A N GLU 82.A O no hydrogen 3.001 N/A LEU 87.A N CYS 83.A O no hydrogen 2.904 N/A LYS 88.A N VAL 84.A O no hydrogen 3.026 N/A ARG 89.A N ASN 85.A O no hydrogen 2.869 N/A ARG 89.A NE ASN 85.A OD1 no hydrogen 2.983 N/A GLN 90.A N PHE 86.A O no hydrogen 3.134 N/A ASN 91.A N LYS 88.A O no hydrogen 2.972 N/A ILE 92.A N LEU 87.A O no hydrogen 2.878 N/A ILE 98.A N ILE 72.A O no hydrogen 2.924 N/A LEU 100.A N VAL 74.A O no hydrogen 2.875 N/A ASP 101.A N ASP 75.A O no hydrogen 3.073 N/A LYS 102.A N GLY 99.A O no hydrogen 2.976 N/A MET 103.A N LEU 100.A O no hydrogen 2.887 N/A TRP 106.A N MET 103.A O no hydrogen 3.076 N/A ALA 107.A N ALA 104.A O no hydrogen 3.004 N/A LYS 109.A N TRP 106.A O no hydrogen 2.915 N/A THR 115.A OG1 THR 119.A O no hydrogen 2.624 N/A ASN 118.A N THR 115.A O no hydrogen 3.042 N/A THR 119.A N PRO 116.A O no hydrogen 3.128 N/A THR 119.A OG1 PRO 116.A O no hydrogen 2.829 N/A ARG 121.A NE ASP 124.A OD2 no hydrogen 2.967 N/A ARG 121.A NH1 ASP 143.A OD1 no hydrogen 2.869 N/A ARG 121.A NH2 MET 110.A O no hydrogen 2.858 N/A ARG 121.A NH2 THR 111.A O no hydrogen 3.359 N/A ARG 121.A NH2 ASP 124.A OD1 no hydrogen 2.920 N/A ARG 121.A NH2 ASP 124.A OD2 no hydrogen 3.548 N/A LEU 122.A N THR 144.A O no hydrogen 2.830 N/A ASP 124.A N ARG 121.A O no hydrogen 2.866 N/A LEU 125.A N LEU 122.A O no hydrogen 2.906 N/A VAL 126.A N PHE 123.A O no hydrogen 3.272 N/A LYS 127.A N ALA 53.A O no hydrogen 2.814 N/A ILE 133.A N ASP 130.A OD2 no hydrogen 2.886 N/A ARG 134.A N ASP 130.A O no hydrogen 2.891 N/A ARG 134.A NE GLU 131.A OE1 no hydrogen 3.139 N/A ARG 134.A NE GLU 131.A OE2 no hydrogen 3.142 N/A ARG 134.A NH1 GLU 131.A OE2 no hydrogen 2.920 N/A GLN 135.A N GLU 131.A O no hydrogen 3.087 N/A ALA 136.A N LYS 132.A O no hydrogen 3.173 N/A PHE 137.A N ILE 133.A O no hydrogen 2.981 N/A TYR 138.A N ARG 134.A O no hydrogen 2.986 N/A TYR 138.A OH ASP 143.A OD1 no hydrogen 2.693 N/A TYR 138.A OH ASP 143.A OD2 no hydrogen 3.418 N/A PHE 139.A N GLN 135.A O no hydrogen 2.933 N/A ALA 140.A N ALA 136.A O no hydrogen 2.955 N/A LEU 141.A N PHE 137.A O no hydrogen 2.854 N/A ARG 142.A N TYR 138.A O no hydrogen 2.675 N/A THR 144.A N LEU 141.A O no hydrogen 3.064 N/A THR 144.A OG1 LEU 141.A O no hydrogen 2.632 N/A LEU 145.A N ARG 165.A O no hydrogen 2.862 N/A VAL 146.A N PRO 120.A O no hydrogen 2.908 N/A ALA 147.A N VAL 167.A O no hydrogen 2.742 N/A ASP 148.A N GLN 152.A OE1 no hydrogen 2.957 N/A ASN 149.A ND2 ASP 148.A OD2 no hydrogen 2.990 N/A GLN 152.A N ASN 149.A OD1 no hydrogen 2.857 N/A GLN 152.A NE2 GLU 117.A OE1 no hydrogen 2.762 N/A ALA 153.A N ASN 149.A O no hydrogen 3.004 N/A THR 154.A N LEU 150.A O no hydrogen 2.891 N/A THR 154.A OG1 LEU 150.A O no hydrogen 3.319 N/A THR 154.A OG1 ASP 151.A O no hydrogen 2.675 N/A ARG 155.A N ASP 151.A O no hydrogen 2.975 N/A ARG 155.A NE GLU 117.A OE2 no hydrogen 2.777 N/A ARG 155.A NH2 GLU 117.A OE1 no hydrogen 2.885 N/A ARG 155.A NH2 GLU 117.A OE2 no hydrogen 3.508 N/A VAL 156.A N GLN 152.A O no hydrogen 2.814 N/A ALA 157.A N ALA 153.A O no hydrogen 2.809 N/A TYR 158.A N THR 154.A O no hydrogen 3.151 N/A TYR 158.A OH GLY 178.A O no hydrogen 2.634 N/A GLN 159.A N ARG 155.A O no hydrogen 3.138 N/A LYS 160.A NZ GLU 117.A OE2 no hydrogen 3.539 N/A ARG 162.A NE ARG 163.A O no hydrogen 2.933 N/A ARG 162.A NH2 ARG 163.A O no hydrogen 3.286 N/A ARG 163.A NH1 GLN 176.A O no hydrogen 3.021 N/A ARG 163.A NH1 SER 177.A O no hydrogen 2.986 N/A TRP 164.A N ALA 157.A O no hydrogen 3.354 N/A ARG 165.A NE GLU 175.A OE1 no hydrogen 2.718 N/A ARG 165.A NE GLU 175.A OE2 no hydrogen 3.190 N/A ARG 165.A NH1 CYS 65.A O no hydrogen 3.277 N/A ARG 165.A NH1 THR 144.A OG1 no hydrogen 2.955 N/A ARG 165.A NH2 CYS 65.A O no hydrogen 2.756 N/A ARG 165.A NH2 GLU 175.A OE2 no hydrogen 3.134 N/A VAL 166.A N ILE 174.A O no hydrogen 2.928 N/A VAL 167.A N LEU 145.A O no hydrogen 2.801 N/A THR 168.A N GLN 172.A O no hydrogen 2.831 N/A THR 168.A OG1 GLN 170.A OE1 no hydrogen 3.339 N/A THR 168.A OG1 GLN 172.A OE1 no hydrogen 2.692 N/A LEU 169.A N ALA 147.A O no hydrogen 3.008 N/A GLN 170.A N THR 168.A OG1 no hydrogen 3.278 N/A GLN 170.A NE2 ASP 148.A O no hydrogen 3.278 N/A GLY 171.A N THR 168.A O no hydrogen 2.918 N/A GLN 172.A N THR 168.A OG1 no hydrogen 2.910 N/A ILE 173.A N THR 181.A O no hydrogen 3.041 N/A ILE 174.A N VAL 166.A O no hydrogen 2.920 N/A GLU 175.A N THR 179.A O no hydrogen 3.020 N/A GLN 176.A NE2 ARG 163.A O no hydrogen 2.933 N/A GLY 178.A N GLU 175.A O no hydrogen 2.997 N/A THR 179.A N SER 177.A OG no hydrogen 3.381 N/A THR 181.A N ILE 173.A O no hydrogen 2.754 N/A LYS 186.A NZ SER 18.A OG no hydrogen 2.687 N/A GLY 190.A N ASP 59.A OD1 no hydrogen 2.758 N/A ARG 191.A N SER 63.A OG no hydrogen 3.152 N/A ARG 191.A NH1 SER 63.A O no hydrogen 2.959 N/A ARG 191.A NH1 CYS 66.A O no hydrogen 2.903 N/A ARG 191.A NH2 HIS 67.A O no hydrogen 3.478 N/A ARG 191.A NH2 ASP 70.A OD2 no hydrogen 2.456 N/A GLY 193.A N GLY 49.A O no hydrogen 2.502 N/A