Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3roa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N GLN 104.A OE1 no hydrogen 3.107 N/A VAL 2.A N GLN 104.A OE1 no hydrogen 2.913 N/A VAL 4.A N ASP 133.A OD2 no hydrogen 2.755 N/A VAL 5.A N ILE 116.A O no hydrogen 2.793 N/A GLY 6.A N HIS 134.A O no hydrogen 2.982 N/A ILE 7.A N ILE 118.A O no hydrogen 2.913 N/A VAL 8.A N LEU 136.A O no hydrogen 2.924 N/A ALA 10.A N THR 138.A O no hydrogen 2.803 N/A LEU 11.A N GLY 16.A O no hydrogen 2.804 N/A LEU 12.A N ILE 140.A O no hydrogen 2.756 N/A GLY 16.A N LEU 11.A O no hydrogen 3.286 N/A ILE 17.A N THR 153.A O no hydrogen 2.828 N/A PHE 19.A N ASN 22.A O no hydrogen 2.774 N/A GLN 20.A N ASP 152.A OD2 no hydrogen 2.964 N/A ASN 22.A N PHE 19.A O no hydrogen 2.987 N/A ASN 22.A ND2 GLN 20.A O no hydrogen 3.623 N/A ALA 28.A N GLU 202.A OE2 no hydrogen 2.962 N/A LYS 29.A N GLU 202.A OE1 no hydrogen 2.827 N/A LYS 29.A NZ GLN 201.A O no hydrogen 2.852 N/A MET 31.A N LEU 27.A O no hydrogen 2.885 N/A LYS 32.A N ALA 28.A O no hydrogen 2.951 N/A LYS 32.A NZ GLU 36.A OE1 no hydrogen 3.340 N/A LYS 32.A NZ GLU 36.A OE2 no hydrogen 2.767 N/A TYR 33.A N LYS 29.A O no hydrogen 3.244 N/A PHE 34.A N GLU 30.A O no hydrogen 2.993 N/A ARG 35.A N MET 31.A O no hydrogen 2.885 N/A GLU 36.A N LYS 32.A O no hydrogen 2.867 N/A VAL 37.A N TYR 33.A O no hydrogen 2.850 N/A THR 38.A N PHE 34.A O no hydrogen 3.047 N/A THR 38.A OG1 PHE 34.A O no hydrogen 2.849 N/A THR 38.A OG1 ARG 35.A O no hydrogen 3.430 N/A THR 39.A N ARG 35.A O no hydrogen 2.855 N/A THR 39.A OG1 ARG 35.A O no hydrogen 2.601 N/A LEU 40.A N GLU 36.A O no hydrogen 2.832 N/A THR 41.A OG1 ASP 43.A O no hydrogen 2.732 N/A THR 41.A OG1 LYS 46.A O no hydrogen 3.455 N/A ASN 42.A N GLU 114.A OE2 no hydrogen 2.921 N/A ASP 43.A N GLU 114.A OE1 no hydrogen 2.866 N/A SER 45.A N ASP 43.A OD1 no hydrogen 3.077 N/A SER 45.A OG ASP 43.A OD1 no hydrogen 2.724 N/A LYS 46.A N ASP 43.A O no hydrogen 3.059 N/A LYS 46.A NZ ASN 111.A O no hydrogen 3.382 N/A GLN 47.A N LYS 112.A O no hydrogen 3.103 N/A ASN 48.A ND2 THR 38.A O no hydrogen 2.785 N/A ASN 48.A ND2 LEU 40.A O no hydrogen 2.873 N/A VAL 49.A N ARG 115.A O no hydrogen 2.824 N/A VAL 50.A N ILE 71.A O no hydrogen 2.646 N/A ILE 51.A N TYR 117.A O no hydrogen 2.835 N/A MET 52.A N VAL 73.A O no hydrogen 2.918 N/A GLY 53.A N GLY 120.A O no hydrogen 3.002 N/A ARG 54.A NH2 GLU 58.A OE1 no hydrogen 3.071 N/A TRP 57.A N GLY 53.A O no hydrogen 3.025 N/A GLU 58.A N ARG 54.A O no hydrogen 3.020 N/A SER 59.A N THR 56.A O no hydrogen 3.134 N/A SER 59.A OG THR 56.A O no hydrogen 2.754 N/A ILE 60.A N THR 56.A O no hydrogen 3.311 N/A ILE 60.A N TRP 57.A O no hydrogen 3.287 N/A PHE 64.A N PRO 61.A O no hydrogen 2.884 N/A ARG 65.A NE ILE 60.A O no hydrogen 2.888 N/A ARG 65.A NH2 ILE 60.A O no hydrogen 2.852 N/A LEU 67.A N ASN 72.A OD1 no hydrogen 2.922 N/A ARG 70.A NE PRO 68.A O no hydrogen 2.863 N/A ARG 70.A NH1 THR 38.A OG1 no hydrogen 2.939 N/A ARG 70.A NH2 PRO 68.A O no hydrogen 3.089 N/A ILE 71.A N ASN 48.A O no hydrogen 2.973 N/A ASN 72.A N GLY 89.A O no hydrogen 3.259 N/A ASN 72.A ND2 LEU 67.A O no hydrogen 3.047 N/A ASN 72.A ND2 ARG 70.A O no hydrogen 2.898 N/A VAL 73.A N VAL 50.A O no hydrogen 2.838 N/A VAL 74.A N TYR 91.A O no hydrogen 3.003 N/A VAL 75.A N MET 52.A O no hydrogen 2.928 N/A SER 76.A N SER 93.A O no hydrogen 2.876 N/A SER 78.A N SER 76.A OG no hydrogen 3.270 N/A PHE 79.A N SER 76.A O no hydrogen 3.149 N/A ARG 84.A N HIS 92.A O no hydrogen 2.828 N/A LYS 85.A NZ ASP 88.A OD2 no hydrogen 3.172 N/A VAL 86.A N ILE 90.A O no hydrogen 3.046 N/A GLU 87.A N ILE 90.A O no hydrogen 3.391 N/A ASP 88.A N GLU 87.A OE1 no hydrogen 3.114 N/A ILE 90.A N GLU 87.A O no hydrogen 2.991 N/A TYR 91.A N ASN 72.A O no hydrogen 2.764 N/A HIS 92.A N ARG 84.A O no hydrogen 2.642 N/A SER 93.A N VAL 74.A O no hydrogen 3.014 N/A SER 93.A OG GLU 82.A O no hydrogen 2.564 N/A SER 93.A OG SER 95.A O no hydrogen 3.028 N/A ASN 94.A N GLY 81.A O no hydrogen 2.791 N/A ASN 94.A ND2 PHE 79.A O no hydrogen 3.670 N/A SER 95.A N SER 93.A OG no hydrogen 3.295 N/A ASN 98.A N SER 95.A OG no hydrogen 3.007 N/A CYS 99.A N SER 95.A O no hydrogen 2.882 N/A CYS 99.A SG LEU 96.A O no hydrogen 3.297 N/A LEU 100.A N LEU 96.A O no hydrogen 3.195 N/A THR 101.A N ARG 97.A O no hydrogen 3.191 N/A THR 101.A OG1 ARG 97.A O no hydrogen 3.400 N/A ALA 102.A N ASN 98.A O no hydrogen 2.890 N/A LEU 103.A N CYS 99.A O no hydrogen 2.759 N/A GLN 104.A N LEU 100.A O no hydrogen 3.022 N/A GLN 104.A N THR 101.A O no hydrogen 3.251 N/A GLN 104.A NE2 VAL 2.A O no hydrogen 2.791 N/A SER 105.A N ALA 102.A O no hydrogen 3.382 N/A ALA 108.A N SER 105.A OG no hydrogen 3.330 N/A ASN 109.A N SER 105.A O no hydrogen 2.766 N/A ASN 109.A ND2 LEU 103.A O no hydrogen 2.819 N/A GLU 110.A N SER 106.A O no hydrogen 2.858 N/A ASN 111.A N ASN 109.A OD1 no hydrogen 2.714 N/A LYS 112.A N ASN 109.A O no hydrogen 2.957 N/A LYS 112.A NZ SER 45.A OG no hydrogen 2.758 N/A GLU 114.A N GLN 47.A O no hydrogen 2.970 N/A ARG 115.A NH1 PHE 174.A O no hydrogen 2.822 N/A ARG 115.A NH2 TYR 117.A OH no hydrogen 3.178 N/A ARG 115.A NH2 PHE 174.A O no hydrogen 3.038 N/A ILE 116.A N PRO 3.A O no hydrogen 3.063 N/A TYR 117.A N VAL 49.A O no hydrogen 2.814 N/A ILE 118.A N VAL 5.A O no hydrogen 2.805 N/A ILE 119.A N ILE 51.A O no hydrogen 2.930 N/A TYR 125.A N GLY 121.A O no hydrogen 2.856 N/A TYR 125.A OH ILE 7.A O no hydrogen 2.656 N/A ARG 126.A N GLY 122.A O no hydrogen 3.007 N/A GLN 127.A N ILE 124.A O no hydrogen 3.082 N/A GLN 127.A NE2 GLU 123.A O no hydrogen 2.924 N/A SER 128.A N TYR 125.A O no hydrogen 3.164 N/A SER 128.A OG ILE 124.A O no hydrogen 2.740 N/A LEU 131.A N SER 128.A O no hydrogen 2.930 N/A ALA 132.A N SER 128.A O no hydrogen 2.857 N/A ASP 133.A N VAL 4.A O no hydrogen 2.700 N/A HIS 134.A N VAL 4.A O no hydrogen 3.362 N/A HIS 134.A ND1 THR 213.A OG1 no hydrogen 2.940 N/A TRP 135.A N TYR 212.A O no hydrogen 2.796 N/A LEU 136.A N GLY 6.A O no hydrogen 2.688 N/A ILE 137.A N THR 210.A O no hydrogen 3.109 N/A THR 138.A N VAL 8.A O no hydrogen 2.869 N/A THR 138.A OG1 GLU 30.A OE2 no hydrogen 2.659 N/A LYS 139.A N TYR 208.A O no hydrogen 2.761 N/A LYS 139.A NZ TYR 212.A OH no hydrogen 2.678 N/A ILE 140.A N ALA 10.A O no hydrogen 2.821 N/A MET 141.A N GLN 206.A O no hydrogen 2.731 N/A LEU 143.A N GLY 204.A O no hydrogen 2.810 N/A GLU 145.A N GLU 145.A OE1 no hydrogen 2.557 N/A THR 146.A N LEU 143.A O no hydrogen 2.734 N/A THR 146.A OG1 LEU 143.A O no hydrogen 3.234 N/A THR 146.A OG1 GLY 204.A O no hydrogen 2.476 N/A ASP 152.A N GLY 18.A O no hydrogen 2.831 N/A THR 153.A N GLY 18.A O no hydrogen 3.253 N/A THR 153.A OG1 ASP 152.A OD1 no hydrogen 2.777 N/A LEU 155.A N MET 15.A O no hydrogen 2.749 N/A LYS 157.A NZ PRO 13.A O no hydrogen 2.738 N/A LYS 157.A NZ GLU 193.A OE2 no hydrogen 2.986 N/A GLN 158.A NE2 GLN 162.A OE1 no hydrogen 3.056 N/A GLU 159.A N GLU 159.A OE1 no hydrogen 2.722 N/A LEU 160.A N GLN 156.A O no hydrogen 3.007 N/A GLU 161.A N LYS 157.A O no hydrogen 3.025 N/A GLN 162.A N GLN 158.A O no hydrogen 3.015 N/A ARG 163.A N GLU 159.A O no hydrogen 3.285 N/A ARG 163.A N LEU 160.A O no hydrogen 3.280 N/A ARG 163.A NE ASP 130.A OD1 no hydrogen 2.954 N/A ARG 163.A NH1 GLU 159.A O no hydrogen 3.328 N/A PHE 164.A N LEU 160.A O no hydrogen 2.799 N/A TYR 165.A N THR 213.A O no hydrogen 2.916 N/A ASN 167.A N LEU 211.A O no hydrogen 2.612 N/A ASN 167.A ND2 THR 213.A OG1 no hydrogen 2.759 N/A SER 168.A N ASP 166.A OD1 no hydrogen 2.987 N/A SER 168.A OG ASP 166.A OD1 no hydrogen 2.662 N/A SER 168.A OG LYS 196.A O no hydrogen 3.032 N/A LYS 170.A N ASN 167.A O no hydrogen 2.816 N/A LEU 171.A N SER 168.A O no hydrogen 3.067 N/A PHE 174.A N LYS 170.A O no hydrogen 3.082 N/A PHE 174.A N LEU 171.A O no hydrogen 3.005 N/A LEU 175.A N LEU 171.A O no hydrogen 3.006 N/A SER 177.A N ASN 42.A OD1 no hydrogen 2.759 N/A SER 177.A OG ASN 42.A OD1 no hydrogen 3.147 N/A ILE 179.A N PRO 176.A O no hydrogen 3.160 N/A THR 186.A N GLY 197.A O no hydrogen 3.060 N/A THR 186.A OG1 ARG 184.A O no hydrogen 2.724 N/A GLN 188.A N VAL 195.A O no hydrogen 2.788 N/A GLN 188.A NE2 GLU 189.A O no hydrogen 2.855 N/A TRP 190.A N GLU 193.A O no hydrogen 2.976 N/A GLU 193.A N TRP 190.A O no hydrogen 3.098 N/A VAL 195.A N GLN 188.A O no hydrogen 2.760 N/A GLY 197.A N THR 186.A O no hydrogen 3.241 N/A LEU 198.A N PHE 209.A O no hydrogen 2.914 N/A VAL 200.A N PHE 207.A O no hydrogen 2.678 N/A GLU 202.A N TYR 205.A O no hydrogen 3.035 N/A TYR 205.A N GLU 202.A O no hydrogen 3.078 N/A GLN 206.A N MET 141.A O no hydrogen 2.876 N/A PHE 207.A N VAL 200.A O no hydrogen 2.655 N/A TYR 208.A N LYS 139.A O no hydrogen 2.844 N/A PHE 209.A N LEU 198.A O no hydrogen 3.069 N/A THR 210.A N ILE 137.A O no hydrogen 2.958 N/A THR 210.A OG1 ILE 137.A O no hydrogen 2.624 N/A LEU 211.A N SER 168.A OG no hydrogen 3.162 N/A TYR 212.A N TRP 135.A O no hydrogen 2.775 N/A THR 213.A N TYR 165.A O no hydrogen 3.038 N/A THR 213.A OG1 HIS 134.A ND1 no hydrogen 2.940 N/A LYS 214.A N ASP 133.A O no hydrogen 3.330 N/A LYS 215.A N ARG 163.A O no hydrogen 2.856 N/A LYS 215.A NZ GLU 161.A O no hydrogen 2.792 N/A LYS 215.A NZ GLN 162.A O no hydrogen 3.327 N/A