Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1rua_L.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N SER 26.A OG no hydrogen 2.799 N/A THR 5.A N LYS 24.A O no hydrogen 2.868 N/A GLN 6.A NE2 TYR 91.A O no hydrogen 2.877 N/A SER 7.A N SER 22.A O no hydrogen 2.892 N/A SER 7.A OG SER 22.A OG no hydrogen 3.319 N/A ILE 11.A N LYS 108.A O no hydrogen 2.828 N/A VAL 13.A N GLU 110.A O no hydrogen 2.907 N/A GLY 16.A N VAL 83.A O no hydrogen 2.781 N/A GLN 17.A N THR 14.A O no hydrogen 3.002 N/A ALA 19.A N ILE 80.A O no hydrogen 2.840 N/A ILE 21.A N LEU 78.A O no hydrogen 2.937 N/A SER 22.A N SER 7.A O no hydrogen 2.834 N/A SER 22.A OG SER 7.A OG no hydrogen 3.319 N/A CYS 23.A N PHE 76.A O no hydrogen 2.975 N/A LYS 24.A N THR 5.A O no hydrogen 2.782 N/A SER 25.A N THR 74.A O no hydrogen 2.889 N/A SER 25.A OG GLN 27.A O no hydrogen 2.683 N/A SER 25.A OG THR 74.A O no hydrogen 3.541 N/A SER 26.A N VAL 3.A O no hydrogen 3.006 N/A ASN 33.A N ASN 31D.A OD1 no hydrogen 2.719 N/A GLY 34.A N ASN 31D.A O no hydrogen 3.424 N/A LYS 35.A N ASN 31D.A OD1 no hydrogen 2.889 N/A PHE 37.A N THR 97.A OG1 no hydrogen 3.377 N/A LEU 38.A N THR 36.A O no hydrogen 2.780 N/A ASN 39.A N TRP 94.A O no hydrogen 2.874 N/A TRP 40.A N ILE 53.A O no hydrogen 3.096 N/A LEU 41.A N TYR 92.A O no hydrogen 2.923 N/A LEU 42.A N LYS 50.A O no hydrogen 2.917 N/A GLN 43.A N VAL 90.A O no hydrogen 2.754 N/A GLN 43.A NE2 GLN 47.A O no hydrogen 2.745 N/A GLN 47.A N ARG 44.A O no hydrogen 2.862 N/A LYS 50.A N LEU 42.A O no hydrogen 2.881 N/A LYS 50.A NZ GLN 47.A OE1 no hydrogen 3.430 N/A ARG 51.A NE SER 61.A O no hydrogen 2.708 N/A ARG 51.A NH2 SER 61.A O no hydrogen 2.978 N/A LEU 52.A N TRP 40.A O no hydrogen 3.031 N/A ILE 53.A N TRP 40.A O no hydrogen 3.182 N/A TYR 54.A N LYS 58.A O no hydrogen 2.879 N/A GLY 56.A N LEU 38.A O no hydrogen 2.902 N/A LYS 58.A N TYR 54.A O no hydrogen 2.857 N/A LYS 58.A NZ TYR 54.A OH no hydrogen 2.797 N/A ASP 60.A N LEU 52.A O no hydrogen 2.819 N/A SER 61.A N ASP 60.A OD1 no hydrogen 2.887 N/A VAL 63.A N ASP 60.A O no hydrogen 3.132 N/A ARG 66.A NH1 ARG 82.A O no hydrogen 2.769 N/A ARG 66.A NH1 ASP 87.A OD2 no hydrogen 2.721 N/A ARG 66.A NH2 ASP 87.A OD1 no hydrogen 2.816 N/A ARG 66.A NH2 ASP 87.A OD2 no hydrogen 3.379 N/A PHE 67.A N PRO 64.A O no hydrogen 3.387 N/A THR 68.A N LYS 79.A O no hydrogen 2.972 N/A SER 70.A N THR 77.A O no hydrogen 2.915 N/A SER 70.A OG THR 77.A O no hydrogen 3.533 N/A THR 74.A OG1 ASP 75.A OD1 no hydrogen 3.498 N/A ASP 75.A N SER 72.A O no hydrogen 3.285 N/A PHE 76.A N CYS 23.A O no hydrogen 2.792 N/A THR 77.A N SER 70.A O no hydrogen 2.843 N/A LEU 78.A N ILE 21.A O no hydrogen 2.835 N/A LYS 79.A N THR 68.A O no hydrogen 2.700 N/A ILE 80.A N ALA 19.A O no hydrogen 2.696 N/A SER 81.A N ARG 66.A O no hydrogen 3.052 N/A VAL 83.A N GLN 17.A O no hydrogen 2.878 N/A GLU 84.A N ASP 87.A OD2 no hydrogen 2.766 N/A ASP 87.A N GLU 84.A O no hydrogen 2.994 N/A LEU 88.A N ALA 85.A O no hydrogen 3.190 N/A GLY 89.A N LEU 109.A O no hydrogen 3.370 N/A VAL 90.A N GLN 43.A O no hydrogen 2.938 N/A TYR 91.A N THR 107.A O no hydrogen 2.828 N/A TYR 91.A OH ASP 87.A O no hydrogen 2.564 N/A TYR 92.A N LEU 41.A O no hydrogen 2.907 N/A CYS 93.A N GLN 6.A OE1 no hydrogen 3.216 N/A TRP 94.A N ASN 39.A O no hydrogen 2.882 N/A GLN 95.A N THR 102.A O no hydrogen 2.944 N/A GLN 95.A NE2 HIS 98.A O no hydrogen 3.012 N/A GLN 95.A NE2 PRO 100.A O no hydrogen 3.419 N/A GLN 95.A NE2 THR 102.A OG1 no hydrogen 2.917 N/A GLY 96.A N PHE 37.A O no hydrogen 2.929 N/A THR 97.A N GLN 95.A OE1 no hydrogen 2.959 N/A THR 97.A OG1 LEU 29B.A O no hydrogen 2.622 N/A HIS 98.A N GLN 95.A OE1 no hydrogen 2.877 N/A HIS 98.A NE2 ARG 28A.A O no hydrogen 2.749 N/A THR 102.A N GLN 95.A O no hydrogen 3.461 N/A THR 102.A OG1 VAL 2.A O no hydrogen 2.947 N/A GLY 104.A N CYS 93.A O no hydrogen 2.924 N/A GLY 106.A N GLN 6.A OE1 no hydrogen 2.810 N/A THR 107.A N TYR 91.A O no hydrogen 2.914 N/A THR 107.A OG1 PRO 8.A O no hydrogen 2.593 N/A LYS 108.A N LYS 9.A O no hydrogen 2.943 N/A LEU 109.A N GLY 89.A O no hydrogen 2.813 N/A GLU 110.A N ILE 11.A O no hydrogen 2.889 N/A ILE 111.A N GLN 170.A OE1 no hydrogen 2.842 N/A LYS 112.A N VAL 13.A O no hydrogen 2.918 N/A ARG 113.A NE ALA 114.A O no hydrogen 2.721 N/A ARG 113.A NH1 ASP 174.A O no hydrogen 2.669 N/A ARG 113.A NH2 ALA 114.A O no hydrogen 3.359 N/A ALA 116.A N TYR 145.A O no hydrogen 2.655 N/A THR 119.A N ASN 142.A O no hydrogen 2.862 N/A SER 121.A N PHE 140.A O no hydrogen 2.984 N/A PHE 123.A N VAL 138.A O no hydrogen 2.774 N/A GLU 128.A N GLU 128.A OE1 no hydrogen 2.563 N/A GLN 129.A N SER 126.A OG no hydrogen 3.092 N/A GLN 129.A NE2 SER 136.A OG no hydrogen 2.857 N/A LEU 130.A N SER 126.A O no hydrogen 3.042 N/A THR 131.A N SER 127.A O no hydrogen 3.182 N/A THR 131.A OG1 GLU 128.A O no hydrogen 2.717 N/A SER 132.A N GLN 129.A O no hydrogen 2.715 N/A SER 132.A OG GLN 129.A O no hydrogen 2.380 N/A GLY 133.A N LEU 130.A O no hydrogen 2.900 N/A GLY 134.A N SER 132.A OG no hydrogen 2.949 N/A ALA 135.A N LEU 185.A O no hydrogen 2.789 N/A SER 136.A N GLN 129.A OE1 no hydrogen 2.837 N/A SER 136.A OG THR 184.A OG1 no hydrogen 3.057 N/A VAL 137.A N LEU 183.A O no hydrogen 2.846 N/A VAL 138.A N PHE 123.A O no hydrogen 3.133 N/A CYS 139.A N SER 181.A O no hydrogen 2.790 N/A CYS 139.A SG SER 121.A O no hydrogen 3.690 N/A PHE 140.A N SER 121.A O no hydrogen 2.911 N/A LEU 141.A N MET 179.A O no hydrogen 2.799 N/A ASN 142.A N THR 119.A O no hydrogen 2.892 N/A ASN 143.A N SER 178.A OG no hydrogen 3.016 N/A ASN 143.A ND2 ASP 174.A OD2 no hydrogen 3.019 N/A PHE 144.A N TYR 177.A O no hydrogen 3.022 N/A TYR 145.A N ALA 116.A O no hydrogen 2.828 N/A TYR 145.A OH ILE 111.A O no hydrogen 3.419 N/A ASN 150.A N THR 201.A O no hydrogen 3.075 N/A LYS 152.A N GLU 199.A O no hydrogen 2.781 N/A LYS 152.A NZ ASN 150.A OD1 no hydrogen 3.469 N/A TRP 153.A NE1 SER 181.A OG no hydrogen 2.864 N/A LYS 154.A N THR 197.A O no hydrogen 2.770 N/A ILE 155.A N SER 158.A O no hydrogen 2.840 N/A ASP 156.A N SER 195.A O no hydrogen 2.941 N/A SER 158.A N ILE 155.A O no hydrogen 3.098 N/A ARG 160.A N TRP 153.A O no hydrogen 2.872 N/A ARG 160.A NE ASN 162.A O no hydrogen 3.080 N/A ARG 160.A NH1 GLU 189.A OE2 no hydrogen 3.522 N/A ARG 160.A NH2 GLU 189.A OE1 no hydrogen 3.234 N/A LEU 165.A N THR 182.A O no hydrogen 3.086 N/A SER 167.A N SER 180.A O no hydrogen 2.905 N/A THR 168.A N SER 178.A O no hydrogen 2.928 N/A THR 168.A OG1 ASP 169.A O no hydrogen 3.246 N/A THR 168.A OG1 SER 178.A O no hydrogen 3.190 N/A GLN 170.A NE2 ILE 111.A O no hydrogen 2.896 N/A GLN 170.A NE2 SER 175.A O no hydrogen 2.886 N/A ASP 171.A N THR 176.A O no hydrogen 2.852 N/A LYS 173.A NZ ASP 174.A OD2 no hydrogen 3.182 N/A ASP 174.A N ASP 171.A O no hydrogen 3.275 N/A ASP 174.A N ASP 171.A OD1 no hydrogen 3.082 N/A SER 175.A N ASP 171.A O no hydrogen 2.593 N/A THR 176.A N ASP 174.A OD1 no hydrogen 2.978 N/A THR 176.A OG1 ASP 174.A OD1 no hydrogen 2.423 N/A THR 176.A OG1 ASP 174.A OD2 no hydrogen 3.159 N/A TYR 177.A N PHE 144.A O no hydrogen 2.938 N/A SER 178.A N THR 168.A OG1 no hydrogen 2.898 N/A MET 179.A N LEU 141.A O no hydrogen 2.653 N/A SER 180.A N SER 167.A O no hydrogen 2.740 N/A SER 181.A N CYS 139.A O no hydrogen 2.813 N/A SER 181.A OG ASN 166.A OD1 no hydrogen 2.641 N/A THR 182.A N LEU 165.A O no hydrogen 2.976 N/A LEU 183.A N VAL 137.A O no hydrogen 2.658 N/A THR 184.A N GLY 163.A O no hydrogen 2.869 N/A THR 184.A OG1 SER 136.A OG no hydrogen 3.057 N/A LEU 185.A N ALA 135.A O no hydrogen 2.756 N/A LYS 187.A N GLY 133.A O no hydrogen 2.867 N/A LYS 187.A NZ ASP 188.A OD1 no hydrogen 3.377 N/A GLU 189.A N THR 186.A OG1 no hydrogen 2.825 N/A TYR 190.A N THR 186.A O no hydrogen 3.015 N/A GLU 191.A N LYS 187.A O no hydrogen 2.818 N/A ARG 192.A N GLU 189.A O no hydrogen 2.965 N/A HIS 193.A N TYR 190.A O no hydrogen 3.201 N/A HIS 193.A ND1 ASP 156.A OD2 no hydrogen 2.627 N/A ASN 194.A N ASP 156.A OD1 no hydrogen 3.104 N/A SER 195.A N ASP 156.A OD1 no hydrogen 3.013 N/A TYR 196.A N PHE 213.A O no hydrogen 2.957 N/A TYR 196.A OH TYR 190.A O no hydrogen 2.628 N/A THR 197.A N LYS 154.A O no hydrogen 3.031 N/A THR 197.A OG1 SER 212.A OG no hydrogen 2.520 N/A CYS 198.A N LYS 211.A O no hydrogen 2.842 N/A GLU 199.A N LYS 152.A O no hydrogen 2.766 N/A ALA 200.A N ILE 209.A O no hydrogen 2.828 N/A THR 201.A N ASN 150.A O no hydrogen 2.921 N/A THR 201.A OG1 ASN 150.A O no hydrogen 3.165 N/A THR 201.A OG1 ASN 150.A OD1 no hydrogen 3.016 N/A HIS 202.A ND1 THR 204.A OG1 no hydrogen 2.662 N/A HIS 202.A NE2 PRO 146.A O no hydrogen 2.736 N/A LYS 203.A NZ ASP 115.A OD2 no hydrogen 3.430 N/A THR 204.A OG1 HIS 202.A ND1 no hydrogen 2.662 N/A SER 205.A N HIS 202.A O no hydrogen 2.988 N/A SER 205.A OG SER 207.A O no hydrogen 3.122 N/A SER 205.A OG SER 207.A OG no hydrogen 3.243 N/A SER 207.A N SER 205.A OG no hydrogen 3.282 N/A SER 207.A OG SER 205.A OG no hydrogen 3.243 N/A ILE 209.A N ALA 200.A O no hydrogen 2.745 N/A LYS 211.A N CYS 198.A O no hydrogen 2.860 N/A LYS 211.A NZ VAL 120.A O no hydrogen 2.617 N/A SER 212.A OG THR 197.A OG1 no hydrogen 2.520 N/A PHE 213.A N TYR 196.A O no hydrogen 2.933 N/A ASN 214.A ND2 GLU 217.A OE1 no hydrogen 3.246 N/A ARG 215.A N ASN 194.A O no hydrogen 2.729 N/A ARG 215.A NE HIS 193.A O no hydrogen 2.700 N/A ARG 215.A NH1 GLU 191.A OE1 no hydrogen 3.484 N/A GLU 217.A N ASN 214.A O no hydrogen 3.086 N/A LEU 29B.A N GLY 73.A O no hydrogen 2.922 N/A ASN 31D.A N LYS 35.A O no hydrogen 2.770 N/A