Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4roe_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N GLU 169.A OE1 no hydrogen 3.345 N/A SER 2.A OG ILE 4.A O no hydrogen 3.468 N/A SER 2.A OG GLU 169.A OE2 no hydrogen 3.022 N/A ILE 4.A N SER 2.A OG no hydrogen 3.121 N/A GLN 7.A N SER 104.A O no hydrogen 2.828 N/A GLN 7.A NE2 VAL 5.A O no hydrogen 3.451 N/A GLN 9.A N VAL 102.A O no hydrogen 2.787 N/A GLN 9.A NE2 GLN 7.A O no hydrogen 3.651 N/A GLN 9.A NE2 SER 104.A OG no hydrogen 2.858 N/A VAL 12.A N ASN 100.A O no hydrogen 2.860 N/A SER 13.A N CYS 64.A O no hydrogen 2.858 N/A SER 13.A OG SER 73.A OG no hydrogen 2.819 N/A THR 14.A N LYS 97.A O no hydrogen 2.888 N/A VAL 15.A N MET 62.A O no hydrogen 3.085 N/A ASN 16.A N LEU 94.A O no hydrogen 2.772 N/A LEU 17.A N GLY 60.A O no hydrogen 2.817 N/A GLY 18.A N ASN 16.A OD1 no hydrogen 2.927 N/A CYS 19.A SG LYS 20.A O no hydrogen 3.918 N/A LYS 20.A NZ SER 59.A O no hydrogen 3.322 N/A LEU 21.A N SER 58.A O no hydrogen 2.776 N/A THR 25.A OG1 ASP 22.A OD2 no hydrogen 2.823 N/A ILE 26.A N ASP 22.A O no hydrogen 3.202 N/A ALA 27.A N LEU 23.A O no hydrogen 2.879 N/A LEU 28.A N LYS 24.A O no hydrogen 3.061 N/A ARG 29.A N THR 25.A O no hydrogen 2.947 N/A ALA 30.A N ILE 26.A O no hydrogen 2.899 N/A ASN 32.A ND2 ARG 46.A O no hydrogen 2.846 N/A GLU 34.A N ILE 44.A O no hydrogen 2.756 N/A ARG 39.A N ASN 36.A O no hydrogen 2.898 N/A PHE 40.A N ASN 36.A O no hydrogen 2.954 N/A VAL 43.A N ILE 56.A O no hydrogen 2.841 N/A ILE 44.A N GLU 34.A O no hydrogen 2.747 N/A MET 45.A N ALA 54.A O no hydrogen 2.842 N/A ARG 46.A N ASN 32.A O no hydrogen 3.079 N/A ILE 47.A N TYR 80.A OH no hydrogen 3.250 N/A THR 52.A N ILE 47.A O no hydrogen 3.473 N/A THR 52.A OG1 PRO 50.A O no hydrogen 3.139 N/A THR 52.A OG1 TYR 80.A OH no hydrogen 2.695 N/A THR 53.A N THR 65.A O no hydrogen 3.049 N/A ALA 54.A N MET 45.A O no hydrogen 2.761 N/A LEU 55.A N VAL 63.A O no hydrogen 2.853 N/A ILE 56.A N VAL 43.A O no hydrogen 2.856 N/A PHE 57.A N LYS 61.A O no hydrogen 3.069 N/A GLY 60.A N PHE 57.A O no hydrogen 3.066 N/A LYS 61.A N SER 59.A OG no hydrogen 3.330 N/A MET 62.A N VAL 15.A O no hydrogen 2.864 N/A VAL 63.A N LEU 55.A O no hydrogen 2.984 N/A CYS 64.A N SER 13.A O no hydrogen 2.775 N/A CYS 64.A SG SER 73.A O no hydrogen 3.798 N/A THR 65.A N THR 53.A O no hydrogen 2.802 N/A THR 65.A OG1 THR 53.A O no hydrogen 3.235 N/A GLY 66.A N ASN 10.A OD1 no hydrogen 2.872 N/A LYS 68.A N GLN 72.A OE1 no hydrogen 3.462 N/A LYS 68.A NZ GLN 9.A O no hydrogen 3.006 N/A LYS 68.A NZ GLN 9.A OE1 no hydrogen 3.415 N/A SER 69.A OG GLU 71.A OE1 no hydrogen 3.559 N/A GLU 70.A N GLU 70.A OE1 no hydrogen 2.867 N/A GLN 72.A N SER 69.A OG no hydrogen 3.121 N/A SER 73.A N SER 69.A O no hydrogen 2.962 N/A SER 73.A OG SER 13.A OG no hydrogen 2.819 N/A ARG 74.A N GLU 70.A O no hydrogen 3.072 N/A LEU 75.A N GLU 71.A O no hydrogen 2.978 N/A ALA 76.A N GLN 72.A O no hydrogen 2.976 N/A ALA 77.A N SER 73.A O no hydrogen 3.000 N/A ARG 78.A N ARG 74.A O no hydrogen 3.027 N/A LYS 79.A N LEU 75.A O no hydrogen 3.064 N/A LYS 79.A NZ GLU 49.A O no hydrogen 2.785 N/A TYR 80.A N ALA 76.A O no hydrogen 2.956 N/A TYR 80.A OH THR 52.A OG1 no hydrogen 2.695 N/A ALA 81.A N ALA 77.A O no hydrogen 3.082 N/A ARG 82.A N ARG 78.A O no hydrogen 3.053 N/A VAL 83.A N LYS 79.A O no hydrogen 2.976 N/A VAL 84.A N TYR 80.A O no hydrogen 3.067 N/A GLN 85.A N ALA 81.A O no hydrogen 2.973 N/A GLN 85.A NE2 ALA 91.A O no hydrogen 2.866 N/A LYS 86.A N ARG 82.A O no hydrogen 3.080 N/A LEU 87.A N VAL 83.A O no hydrogen 3.142 N/A LEU 87.A N VAL 84.A O no hydrogen 3.227 N/A GLY 88.A N GLN 85.A O no hydrogen 3.068 N/A PHE 89.A N VAL 84.A O no hydrogen 3.403 N/A ALA 91.A N PHE 89.A O no hydrogen 2.811 N/A LYS 92.A N LEU 17.A O no hydrogen 2.820 N/A LEU 94.A N ASN 16.A O no hydrogen 2.981 N/A LYS 97.A N THR 14.A O no hydrogen 3.010 N/A GLN 99.A N VAL 12.A O no hydrogen 2.681 N/A GLN 99.A NE2 THR 14.A OG1 no hydrogen 2.778 N/A ASN 100.A N VAL 12.A O no hydrogen 3.225 N/A VAL 102.A N ASN 10.A O no hydrogen 2.891 N/A GLY 103.A N LEU 155.A O no hydrogen 2.758 N/A SER 104.A N GLN 7.A O no hydrogen 2.880 N/A CYS 105.A N VAL 153.A O no hydrogen 3.080 N/A VAL 107.A N GLY 151.A O no hydrogen 3.001 N/A LYS 108.A N ASP 106.A OD1 no hydrogen 2.935 N/A LYS 108.A NZ ASP 106.A OD2 no hydrogen 3.519 N/A ILE 111.A N VAL 149.A O no hydrogen 2.910 N/A ARG 112.A NH1 GLU 114.A OE2 no hydrogen 3.095 N/A GLU 114.A N GLU 114.A OE1 no hydrogen 2.820 N/A GLY 115.A N ARG 112.A O no hydrogen 3.107 N/A LEU 116.A N ARG 112.A O no hydrogen 3.111 N/A VAL 117.A N LEU 113.A O no hydrogen 3.070 N/A LEU 118.A N GLY 115.A O no hydrogen 3.071 N/A THR 119.A N GLY 115.A O no hydrogen 3.056 N/A THR 119.A OG1 GLY 115.A O no hydrogen 3.277 N/A THR 119.A OG1 LEU 116.A O no hydrogen 3.359 N/A THR 119.A OG1 HIS 120.A ND1 no hydrogen 2.972 N/A HIS 120.A N LEU 116.A O no hydrogen 2.907 N/A HIS 120.A ND1 THR 119.A OG1 no hydrogen 2.972 N/A PHE 123.A N HIS 120.A O no hydrogen 3.137 N/A SER 124.A N GLN 121.A O no hydrogen 3.217 N/A SER 124.A OG HIS 120.A O no hydrogen 2.734 N/A SER 125.A N ILE 135.A O no hydrogen 2.916 N/A LEU 130.A N GLU 127.A O no hydrogen 2.795 N/A PHE 131.A N GLU 127.A O no hydrogen 3.062 N/A LEU 134.A N ILE 147.A O no hydrogen 2.874 N/A ILE 135.A N SER 125.A O no hydrogen 2.795 N/A TYR 136.A N LEU 145.A O no hydrogen 2.779 N/A ARG 137.A N PHE 123.A O no hydrogen 2.794 N/A MET 138.A N ILE 143.A O no hydrogen 2.875 N/A ILE 143.A N MET 138.A O no hydrogen 3.156 N/A VAL 144.A N THR 156.A O no hydrogen 2.994 N/A LEU 145.A N TYR 136.A O no hydrogen 2.819 N/A LEU 146.A N VAL 154.A O no hydrogen 2.822 N/A ILE 147.A N LEU 134.A O no hydrogen 2.896 N/A PHE 148.A N LYS 152.A O no hydrogen 3.116 N/A GLY 151.A N PHE 148.A O no hydrogen 3.027 N/A LYS 152.A N SER 150.A OG no hydrogen 3.400 N/A LYS 152.A NZ ASP 106.A OD2 no hydrogen 3.569 N/A VAL 153.A N CYS 105.A O no hydrogen 2.902 N/A VAL 154.A N LEU 146.A O no hydrogen 2.894 N/A LEU 155.A N GLY 103.A O no hydrogen 2.837 N/A THR 156.A N VAL 144.A O no hydrogen 2.850 N/A THR 156.A OG1 ASN 100.A OD1 no hydrogen 3.422 N/A GLY 157.A N ASN 100.A OD1 no hydrogen 3.043 N/A LYS 159.A N GLU 163.A OE1 no hydrogen 2.941 N/A LYS 159.A NZ GLN 99.A O no hydrogen 3.193 N/A ARG 161.A NE GLU 70.A OE1 no hydrogen 3.284 N/A ARG 161.A NE GLU 70.A OE2 no hydrogen 3.560 N/A ARG 161.A NH1 GLU 70.A OE1 no hydrogen 2.990 N/A ARG 161.A NH2 TYR 165.A OH no hydrogen 3.198 N/A GLU 163.A N VAL 160.A O no hydrogen 3.011 N/A ILE 164.A N ARG 161.A O no hydrogen 3.131 N/A TYR 165.A N ARG 161.A O no hydrogen 3.386 N/A GLU 166.A N ALA 162.A O no hydrogen 2.863 N/A ALA 167.A N GLU 163.A O no hydrogen 3.114 N/A PHE 168.A N ILE 164.A O no hydrogen 3.072 N/A GLU 169.A N TYR 165.A O no hydrogen 2.972 N/A ASN 170.A N GLU 166.A O no hydrogen 3.062 N/A ILE 171.A N ALA 167.A O no hydrogen 2.998 N/A TYR 172.A N PHE 168.A O no hydrogen 3.014 N/A LEU 175.A N ILE 171.A O no hydrogen 2.997 N/A LYS 176.A N TYR 172.A O no hydrogen 2.785 N/A GLY 177.A N PRO 173.A O no hydrogen 2.796 N/A