Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pe8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N THR 16.A O no hydrogen 2.940 N/A ASP 7.A N THR 14.A O no hydrogen 3.067 N/A THR 9.A N VAL 12.A O no hydrogen 2.966 N/A THR 9.A OG1 ASP 7.A OD1 no hydrogen 2.706 N/A THR 9.A OG1 ASP 7.A OD2 no hydrogen 3.491 N/A ARG 11.A NE ASP 48.A OD2 no hydrogen 2.865 N/A ARG 11.A NH2 ASP 45.A O no hydrogen 2.855 N/A ARG 11.A NH2 ASP 48.A OD1 no hydrogen 2.864 N/A VAL 12.A N THR 9.A O no hydrogen 2.956 N/A ARG 13.A N VAL 49.A O no hydrogen 2.859 N/A ARG 13.A NE THR 8.A OG1 no hydrogen 2.808 N/A ARG 13.A NH2 THR 8.A OG1 no hydrogen 3.275 N/A ARG 13.A NH2 ASP 44.A OD2 no hydrogen 2.950 N/A THR 14.A N ASP 7.A O no hydrogen 2.804 N/A LEU 15.A N ILE 51.A O no hydrogen 2.785 N/A THR 16.A N LEU 5.A O no hydrogen 2.880 N/A LEU 17.A N THR 53.A O no hydrogen 2.893 N/A ASN 18.A N VAL 3.A O no hydrogen 2.829 N/A ASN 18.A ND2 PRO 2.A O no hydrogen 2.863 N/A ARG 19.A N ASN 24.A OD1 no hydrogen 2.879 N/A ARG 19.A NH1 ALA 25.A O no hydrogen 2.850 N/A ARG 19.A NH1 ASP 64.A OD2 no hydrogen 2.927 N/A ARG 19.A NH2 ASP 64.A OD2 no hydrogen 3.428 N/A GLN 21.A N GLN 21.A OE1 no hydrogen 2.829 N/A SER 22.A N ARG 19.A O no hydrogen 2.903 N/A ARG 23.A N PRO 20.A O no hydrogen 3.045 N/A ASN 24.A N ARG 19.A O no hydrogen 2.793 N/A ASN 24.A ND2 ALA 55.A O no hydrogen 3.020 N/A ASN 24.A ND2 VAL 58.A O no hydrogen 2.857 N/A ASN 24.A ND2 PHE 59.A O no hydrogen 3.074 N/A ALA 25.A N SER 22.A O no hydrogen 2.978 N/A LEU 26.A N GLY 62.A O no hydrogen 2.848 N/A SER 27.A N ALA 25.A O no hydrogen 3.062 N/A ALA 28.A N GLU 67.A OE1 no hydrogen 2.831 N/A LEU 30.A N SER 27.A OG no hydrogen 3.119 N/A ARG 31.A N SER 27.A O no hydrogen 2.845 N/A ARG 31.A NH1 LEU 26.A O no hydrogen 2.725 N/A SER 32.A N ALA 28.A O no hydrogen 3.011 N/A SER 32.A OG.B ALA 28.A O no hydrogen 3.092 N/A SER 32.A OG.B GLU 29.A O no hydrogen 3.127 N/A THR 33.A N GLU 29.A O no hydrogen 2.944 N/A THR 33.A OG1 GLU 29.A O no hydrogen 2.851 N/A PHE 34.A N LEU 30.A O no hydrogen 2.767 N/A PHE 35.A N ARG 31.A O no hydrogen 2.943 N/A ARG 36.A N SER 32.A O no hydrogen 3.027 N/A ALA 37.A N THR 33.A O no hydrogen 2.890 N/A LEU 38.A N PHE 34.A O no hydrogen 2.997 N/A SER 39.A N PHE 35.A O no hydrogen 3.252 N/A ASP 40.A N ARG 36.A O no hydrogen 2.831 N/A ALA 41.A N ALA 37.A O no hydrogen 2.886 N/A GLN 42.A N LEU 38.A O no hydrogen 2.985 N/A GLN 42.A NE2 THR 76.A OG1 no hydrogen 2.955 N/A ASN 43.A N SER 39.A O no hydrogen 3.041 N/A ASP 44.A N ALA 41.A O no hydrogen 3.272 N/A ASP 46.A N ASP 44.A OD1 no hydrogen 2.883 N/A VAL 47.A N ASP 44.A O no hydrogen 3.052 N/A ASP 48.A N ARG 11.A O no hydrogen 2.807 N/A VAL 49.A N ARG 11.A O no hydrogen 3.395 N/A VAL 50.A N PRO 78.A O no hydrogen 2.916 N/A ILE 51.A N ARG 13.A O no hydrogen 2.870 N/A VAL 52.A N ILE 80.A O no hydrogen 2.788 N/A THR 53.A N LEU 15.A O no hydrogen 2.963 N/A THR 53.A OG1 ALA 82.A O no hydrogen 2.728 N/A GLY 54.A N ASN 84.A OD1 no hydrogen 3.138 N/A ALA 55.A N LEU 17.A O no hydrogen 2.874 N/A PHE 59.A N ALA 86.A O no hydrogen 2.906 N/A CYS 60.A N ALA 86.A O no hydrogen 2.995 N/A CYS 60.A SG ASN 24.A O no hydrogen 3.449 N/A ALA 61.A N ARG 23.A O no hydrogen 3.034 N/A ASP 64.A N LEU 26.A O no hydrogen 3.215 N/A GLU 67.A N ASP 64.A OD1 no hydrogen 2.968 N/A LEU 68.A N ASP 64.A O no hydrogen 3.127 N/A THR 76.A N GLN 42.A OE1 no hydrogen 2.907 N/A LYS 77.A N GLN 42.A OE1 no hydrogen 3.236 N/A LYS 77.A NZ ALA 41.A O no hydrogen 2.900 N/A LYS 77.A NZ GLN 42.A O no hydrogen 3.028 N/A LYS 77.A NZ VAL 47.A O no hydrogen 2.867 N/A VAL 79.A N ASP 99.A OD2 no hydrogen 2.910 N/A ILE 80.A N VAL 50.A O no hydrogen 2.796 N/A GLY 81.A N ILE 100.A O no hydrogen 2.821 N/A ALA 82.A N VAL 52.A O no hydrogen 2.851 N/A ILE 83.A N ILE 102.A O no hydrogen 2.891 N/A ASN 84.A ND2 ALA 55.A O no hydrogen 3.664 N/A ASN 84.A ND2 ASP 56.A OD1 no hydrogen 2.946 N/A ASN 84.A ND2 VAL 58.A O no hydrogen 3.276 N/A ALA 87.A N LYS 108.A O no hydrogen 2.897 N/A VAL 88.A N CYS 60.A O no hydrogen 2.933 N/A THR 89.A N ALA 110.A O no hydrogen 2.851 N/A THR 89.A OG1 THR 112.A OG1 no hydrogen 2.616 N/A GLY 91.A N VAL 88.A O no hydrogen 2.848 N/A GLU 93.A N THR 89.A O no hydrogen 2.968 N/A LEU 94.A N GLY 90.A O no hydrogen 2.909 N/A ALA 95.A N GLY 91.A O no hydrogen 3.088 N/A LEU 96.A N LEU 92.A O no hydrogen 2.854 N/A TYR 97.A N GLU 93.A O no hydrogen 3.109 N/A TYR 97.A N LEU 94.A O no hydrogen 3.186 N/A CYS 98.A N ALA 95.A O no hydrogen 3.122 N/A CYS 98.A SG LEU 94.A O no hydrogen 3.693 N/A ASP 99.A N VAL 79.A O no hydrogen 2.920 N/A ILE 100.A N VAL 79.A O no hydrogen 3.389 N/A ILE 102.A N GLY 81.A O no hydrogen 2.926 N/A ALA 103.A N GLU 160.A O no hydrogen 2.891 N/A SER 104.A N ILE 83.A O no hydrogen 2.951 N/A SER 104.A OG HIS 164.A ND1 no hydrogen 2.820 N/A GLU 105.A N VAL 162.A O no hydrogen 2.884 N/A ASN 106.A N SER 104.A OG no hydrogen 3.042 N/A ALA 107.A N SER 104.A O no hydrogen 2.855 N/A PHE 109.A N LEU 147.A O no hydrogen 2.911 N/A ALA 110.A N ALA 87.A O no hydrogen 3.076 N/A THR 112.A N THR 89.A OG1 no hydrogen 2.814 N/A THR 112.A OG1 THR 89.A OG1 no hydrogen 2.616 N/A HIS 113.A N ASP 111.A OD1 no hydrogen 3.039 N/A HIS 113.A ND1 ASP 111.A OD1 no hydrogen 2.590 N/A ARG 115.A NH1.A GLY 144.A O no hydrogen 3.525 N/A VAL 116.A N THR 112.A O no hydrogen 2.983 N/A GLY 117.A N ALA 114.A O no hydrogen 2.947 N/A LEU 118.A N HIS 113.A O no hydrogen 2.872 N/A TRP 122.A N GLU 93.A OE1 no hydrogen 2.964 N/A TRP 122.A NE1 SER 69.A O no hydrogen 3.168 N/A GLY 123.A N GLU 208.A OE1 no hydrogen 2.806 N/A LEU 124.A N GLU 93.A OE1 no hydrogen 3.069 N/A SER 125.A N GLU 208.A OE2 no hydrogen 2.988 N/A SER 125.A OG GLU 208.A OE2 no hydrogen 2.678 N/A VAL 126.A N GLY 123.A O no hydrogen 3.018 N/A ARG 127.A N GLY 123.A O no hydrogen 2.772 N/A LEU 128.A N LEU 124.A O no hydrogen 2.932 N/A GLN 130.A N VAL 126.A O no hydrogen 3.429 N/A GLN 130.A NE2 ASP 197.A OD1 no hydrogen 2.747 N/A LYS 131.A N ARG 127.A O no hydrogen 2.958 N/A LYS 131.A N LEU 128.A O no hydrogen 3.159 N/A LYS 131.A NZ LEU 96.A O no hydrogen 2.817 N/A VAL 132.A N LEU 128.A O no hydrogen 2.877 N/A GLY 133.A N PRO 129.A O no hydrogen 3.029 N/A ALA 137.A N GLY 133.A O no hydrogen 2.920 N/A ARG 138.A N VAL 134.A O no hydrogen 2.989 N/A ARG 139.A N GLY 135.A O no hydrogen 2.846 N/A MET 140.A N LEU 136.A O no hydrogen 2.841 N/A SER 141.A N ALA 137.A O no hydrogen 2.927 N/A SER 141.A OG ASP 111.A OD2 no hydrogen 2.702 N/A SER 141.A OG ALA 137.A O no hydrogen 3.291 N/A LEU 142.A N ARG 138.A O no hydrogen 2.949 N/A THR 143.A N ARG 139.A O no hydrogen 3.011 N/A THR 143.A OG1 ARG 139.A O no hydrogen 2.743 N/A GLY 144.A N MET 140.A O no hydrogen 2.877 N/A ASP 145.A N THR 143.A OG1 no hydrogen 3.039 N/A LEU 147.A N PHE 109.A O no hydrogen 2.774 N/A ASP 151.A N SER 148.A OG no hydrogen 3.046 N/A ALA 152.A N SER 148.A O no hydrogen 2.839 N/A LEU 153.A N ALA 149.A O no hydrogen 2.945 N/A ARG 154.A N GLN 150.A O no hydrogen 3.005 N/A ALA 155.A N ASP 151.A O no hydrogen 2.898 N/A GLY 156.A N LEU 153.A O no hydrogen 3.186 N/A LEU 157.A N ALA 152.A O no hydrogen 2.923 N/A THR 159.A N LEU 101.A O no hydrogen 2.870 N/A THR 159.A OG1 LEU 101.A O no hydrogen 2.856 N/A VAL 162.A N ALA 103.A O no hydrogen 2.970 N/A HIS 164.A N GLU 105.A OE2.A no hydrogen 2.901 N/A HIS 164.A ND1 SER 104.A OG no hydrogen 2.820 N/A HIS 164.A NE2 ASP 56.A OD2 no hydrogen 2.738 N/A ASP 166.A N ALA 163.A O no hydrogen 2.883 N/A LEU 167.A N HIS 164.A O no hydrogen 3.185 N/A ALA 170.A N ASP 166.A O no hydrogen 2.841 N/A ALA 171.A N LEU 167.A O no hydrogen 2.981 N/A ARG 172.A N LEU 168.A O no hydrogen 2.878 N/A ARG 173.A N THR 169.A O no hydrogen 3.055 N/A ARG 173.A NH2 GLU 160.A OE2 no hydrogen 3.197 N/A VAL 174.A N ALA 170.A O no hydrogen 3.198 N/A ALA 175.A N ALA 171.A O no hydrogen 2.923 N/A ALA 176.A N ARG 172.A O no hydrogen 2.820 N/A SER 177.A N ARG 173.A O no hydrogen 3.094 N/A SER 177.A OG ARG 173.A O no hydrogen 3.213 N/A ILE 178.A N VAL 174.A O no hydrogen 3.169 N/A VAL 179.A N ALA 175.A O no hydrogen 2.910 N/A GLY 180.A N ALA 176.A O no hydrogen 2.999 N/A ASN 181.A N ILE 178.A O no hydrogen 2.991 N/A ALA 185.A N ASN 182.A OD1 no hydrogen 3.026 N/A VAL 186.A N ASN 182.A O no hydrogen 2.874 N/A ARG 187.A N GLN 183.A O no hydrogen 3.002 N/A ARG 187.A NH2 ASP 48.A OD1 no hydrogen 2.919 N/A ALA 188.A N LYS 184.A O no hydrogen 2.951 N/A LEU 189.A N ALA 185.A O no hydrogen 2.806 N/A LEU 190.A N VAL 186.A O no hydrogen 2.843 N/A ASP 191.A N ARG 187.A O no hydrogen 2.865 N/A SER 192.A N ALA 188.A O no hydrogen 3.024 N/A TYR 193.A N LEU 189.A O no hydrogen 2.916 N/A HIS 194.A N LEU 190.A O no hydrogen 2.870 N/A HIS 194.A NE2 ASP 99.A OD1 no hydrogen 2.776 N/A ARG 195.A N ASP 191.A O no hydrogen 2.886 N/A ILE 196.A N SER 192.A O no hydrogen 2.910 N/A ASP 197.A N TYR 193.A O no hydrogen 2.938 N/A ALA 198.A N HIS 194.A O no hydrogen 2.832 N/A LEU 199.A N ARG 195.A O no hydrogen 2.960 N/A GLN 200.A N ILE 196.A O no hydrogen 3.098 N/A THR 201.A N ASP 197.A O no hydrogen 2.934 N/A THR 201.A N ALA 198.A O no hydrogen 3.334 N/A THR 201.A OG1 ASP 197.A O no hydrogen 2.772 N/A GLY 202.A N ALA 198.A O no hydrogen 3.038 N/A LEU 205.A N THR 201.A O no hydrogen 2.876 N/A TRP 206.A N GLY 202.A O no hydrogen 2.940 N/A ALA 207.A N GLY 203.A O no hydrogen 3.034 N/A GLU 208.A N ALA 204.A O no hydrogen 2.909 N/A ALA 209.A N LEU 205.A O no hydrogen 3.029 N/A GLU 210.A N TRP 206.A O no hydrogen 2.841 N/A ALA 211.A N ALA 207.A O no hydrogen 2.925 N/A ALA 212.A N GLU 208.A O no hydrogen 2.958 N/A ARG 213.A N ALA 209.A O no hydrogen 2.969 N/A ARG 213.A NE GLU 210.A OE2 no hydrogen 2.950 N/A ARG 213.A NH1 GLU 210.A OE2 no hydrogen 2.683 N/A GLN 214.A N GLU 210.A O no hydrogen 2.964 N/A TRP 215.A N ALA 211.A O no hydrogen 2.983 N/A TRP 215.A NE1 GLY 117.A O no hydrogen 2.963 N/A MET 216.A N ALA 212.A O no hydrogen 2.952 N/A ARG 217.A N ARG 213.A O no hydrogen 3.071 N/A SER 218.A N GLN 214.A O no hydrogen 2.976 N/A SER 218.A OG GLN 214.A O no hydrogen 3.423 N/A SER 218.A OG TRP 215.A O no hydrogen 3.203 N/A THR 219.A N TRP 215.A O no hydrogen 2.721 N/A