Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5pac_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N GLN 134.A O no hydrogen 2.930 N/A ILE 1.A N ASP 184.A OD2 no hydrogen 2.691 N/A VAL 2.A N ASP 179.A O no hydrogen 2.778 N/A LYS 5.A N VAL 147.A O no hydrogen 2.999 N/A CYS 7.A N LEU 145.A O no hydrogen 2.797 N/A CYS 7.A SG PRO 8.A O no hydrogen 3.807 N/A LYS 9.A NZ ASP 65.A OD2 no hydrogen 2.767 N/A LYS 9.A NZ ASP 67.A OD2 no hydrogen 2.793 N/A GLU 11.A N PRO 8.A O no hydrogen 2.869 N/A CYS 12.A SG.B SER 130.A OG no hydrogen 3.374 N/A GLN 15.A N CYS 12.A O no hydrogen 3.117 N/A GLN 15.A NE2 VAL 16.A O no hydrogen 3.042 N/A VAL 16.A N GLY 28.A O no hydrogen 2.863 N/A LEU 17.A N VAL 55.A O no hydrogen 3.042 N/A LEU 18.A N CYS 26.A O no hydrogen 2.862 N/A LEU 19.A N ILE 53.A O no hydrogen 2.818 N/A VAL 20.A N ALA 23.A O no hydrogen 2.887 N/A ASN 21.A N ASN 51.A O no hydrogen 3.345 N/A ALA 23.A N VAL 20.A O no hydrogen 2.976 N/A GLN 24.A NE2 TRP 132.A O no hydrogen 2.949 N/A GLN 24.A NE2 GLY 183.A O no hydrogen 3.566 N/A LEU 25.A N LEU 18.A O no hydrogen 2.854 N/A CYS 26.A SG LEU 25.A O no hydrogen 3.048 N/A GLY 27.A N SER 185.A O no hydrogen 2.799 N/A GLY 28.A N VAL 16.A O no hydrogen 3.018 N/A THR 29.A N VAL 37.A O no hydrogen 2.778 N/A LEU 30.A N TRP 14.A O no hydrogen 2.910 N/A ILE 31.A N TRP 35.A O no hydrogen 3.007 N/A THR 33.A N ASN 32.A OD1.A no hydrogen 2.770 N/A ILE 34.A N ASN 32.A OD1.B no hydrogen 3.167 N/A TRP 35.A N ASN 32.A O no hydrogen 3.382 N/A VAL 36.A N LEU 94.A O no hydrogen 2.930 N/A VAL 37.A N THR 29.A O no hydrogen 2.801 N/A SER 38.A N ALA 92.A O no hydrogen 2.868 N/A SER 38.A OG GLY 27.A O no hydrogen 2.864 N/A ALA 39.A N SER 38.A OG no hydrogen 2.747 N/A HIS 41.A N ASP 90.A OD1 no hydrogen 2.816 N/A HIS 41.A ND1 ASP 90.A OD2 no hydrogen 2.623 N/A CYS 42.A N ALA 39.A O no hydrogen 3.200 N/A CYS 42.A SG SER 185.A O no hydrogen 3.879 N/A PHE 43.A N ALA 40.A O no hydrogen 3.039 N/A ASP 44.A N HIS 41.A O no hydrogen 3.359 N/A ILE 46.A N PHE 43.A O no hydrogen 3.504 N/A ARG 50.A N ASN 48.A OD1 no hydrogen 3.222 N/A ASN 51.A N ASN 48.A O no hydrogen 3.215 N/A ILE 53.A N LEU 19.A O no hydrogen 2.876 N/A ALA 54.A N ARG 71.A O no hydrogen 2.851 N/A VAL 55.A N LEU 17.A O no hydrogen 2.798 N/A LEU 56.A N GLN 69.A O no hydrogen 2.779 N/A HIS 59.A N GLU 58.A OE1 no hydrogen 2.868 N/A HIS 59.A NE2 GLU 144.A OE2 no hydrogen 3.001 N/A LEU 61.A N LEU 143.A O no hydrogen 2.815 N/A SER 62.A N ASP 60.A OD1 no hydrogen 2.894 N/A SER 62.A OG ASP 60.A OD1 no hydrogen 2.673 N/A SER 62.A OG ASP 60.A OD2 no hydrogen 3.490 N/A GLU 63.A N ASP 60.A O no hydrogen 3.321 N/A ASP 65.A N GLU 68.A OE2 no hydrogen 2.966 N/A GLY 66.A N GLU 68.A OE1 no hydrogen 2.906 N/A ASP 67.A N ASP 65.A OD1 no hydrogen 3.124 N/A GLU 68.A N GLU 68.A OE1 no hydrogen 2.806 N/A GLN 69.A N LEU 56.A O no hydrogen 2.781 N/A GLN 69.A NE2 VAL 101.A O no hydrogen 2.846 N/A ARG 71.A N ALA 54.A O no hydrogen 2.826 N/A ARG 71.A NE GLN 98.A O no hydrogen 3.317 N/A ARG 71.A NE PRO 99.A O no hydrogen 3.029 N/A ARG 71.A NH1 SER 70.A O no hydrogen 2.894 N/A ARG 71.A NH2 PRO 99.A O no hydrogen 3.087 N/A ARG 72.A N HIS 97.A ND1.B no hydrogen 3.021 N/A VAL 73.A N LEU 52.A O no hydrogen 3.364 N/A ALA 74.A N ARG 95.A O no hydrogen 2.785 N/A GLN 75.A N ARG 95.A O no hydrogen 3.300 N/A GLN 75.A NE2 ARG 237.A O no hydrogen 3.081 N/A GLN 75.A NE2 VAL 240.A O no hydrogen 3.109 N/A VAL 76.A N VAL 240.A O no hydrogen 2.884 N/A ILE 77.A N LEU 93.A O no hydrogen 2.796 N/A ILE 78.A N LEU 242.A O no hydrogen 2.983 N/A SER 80.A N ALA 244.A O no hydrogen 2.851 N/A TYR 82.A N PRO 79.A O no hydrogen 3.132 N/A TYR 82.A OH ASP 44.A OD1 no hydrogen 2.856 N/A TYR 82.A OH ASP 44.A OD2 no hydrogen 3.052 N/A GLY 85.A N ASP 44.A OD2 no hydrogen 2.989 N/A GLY 85.A N TYR 82.A OH no hydrogen 3.350 N/A THR 86.A N VAL 83.A O no hydrogen 3.193 N/A THR 86.A OG1 VAL 83.A O no hydrogen 2.532 N/A THR 87.A OG1 TRP 205.A O no hydrogen 3.001 N/A ILE 91.A N HIS 89.A O no hydrogen 2.896 N/A ALA 92.A N SER 38.A O no hydrogen 2.882 N/A LEU 93.A N ILE 77.A O no hydrogen 2.863 N/A LEU 94.A N VAL 36.A O no hydrogen 2.725 N/A ARG 95.A N GLN 75.A O no hydrogen 2.957 N/A LEU 96.A N ILE 34.A O no hydrogen 2.822 N/A HIS 97.A N ARG 72.A O no hydrogen 2.842 N/A VAL 100.A N THR 33.A O no hydrogen 2.875 N/A VAL 101.A N GLN 69.A OE1 no hydrogen 2.832 N/A THR 103.A N VAL 106.A O no hydrogen 2.989 N/A HIS 105.A N THR 103.A OG1 no hydrogen 3.086 N/A VAL 106.A N THR 103.A O no hydrogen 3.184 N/A VAL 107.A N PRO 13.A O no hydrogen 3.183 N/A LEU 109.A N LEU 30.A O no hydrogen 2.795 N/A CYS 110.A SG TRP 197.A O no hydrogen 3.697 N/A ARG 114.A NE.A GLU 226.A OE1.A no hydrogen 2.815 N/A ARG 114.A NE.A GLU 226.A OE2.A no hydrogen 3.032 N/A ARG 114.A NE.A GLU 226.A OE2.B no hydrogen 3.188 N/A ARG 114.A NE.B GLU 226.A OE2.B no hydrogen 2.765 N/A ARG 114.A NH1.A GLU 118.A OE2 no hydrogen 2.704 N/A ARG 114.A NH1.A GLN 223.A OE1 no hydrogen 3.473 N/A ARG 114.A NH1.B GLU 118.A OE1 no hydrogen 3.343 N/A ARG 114.A NH2.A GLU 226.A OE1.A no hydrogen 2.663 N/A SER 117.A N GLU 113.A O no hydrogen 2.971 N/A GLU 118.A N ARG 114.A O.A no hydrogen 2.874 N/A GLU 118.A N ARG 114.A O.B no hydrogen 2.905 N/A ARG 119.A N THR 115.A O no hydrogen 2.831 N/A THR 120.A N PHE 116.A O no hydrogen 2.970 N/A LEU 121.A N PHE 116.A O no hydrogen 3.211 N/A ALA 122.A N SER 117.A O no hydrogen 2.874 N/A PHE 123.A N THR 120.A O no hydrogen 3.139 N/A VAL 124.A N LEU 121.A O no hydrogen 3.139 N/A SER 127.A N VAL 150.A O no hydrogen 2.966 N/A SER 127.A OG THR 191.A OG1 no hydrogen 2.602 N/A LEU 128.A N ALA 190.A O no hydrogen 2.899 N/A VAL 129.A N LEU 148.A O no hydrogen 2.898 N/A SER 130.A OG GLN 15.A OE1 no hydrogen 2.664 N/A GLY 131.A N MET 146.A O no hydrogen 3.015 N/A TRP 132.A NE1 HIS 59.A O no hydrogen 3.019 N/A GLY 133.A N ASP 184.A OD1 no hydrogen 2.736 N/A GLN 134.A N LYS 182.A O no hydrogen 2.856 N/A LEU 135.A N ALA 140.A O no hydrogen 3.142 N/A GLY 139.A N LEU 136.A O no hydrogen 3.005 N/A ALA 142.A N GLY 133.A O no hydrogen 3.131 N/A LEU 145.A N HIS 59.A O no hydrogen 3.078 N/A MET 146.A N GLY 131.A O no hydrogen 3.104 N/A VAL 147.A N LYS 5.A O no hydrogen 2.753 N/A LEU 148.A N VAL 129.A O no hydrogen 2.811 N/A ASN 149.A ND2 SER 127.A O no hydrogen 3.111 N/A VAL 150.A N SER 127.A O no hydrogen 2.856 N/A ARG 152.A N ARG 125.A O no hydrogen 2.823 N/A LEU 153.A N CYS 170.A O no hydrogen 2.964 N/A CYS 158.A N MET 154.A O no hydrogen 2.829 N/A LEU 159.A N THR 155.A O no hydrogen 3.275 N/A GLN 160.A N GLN 156.A O no hydrogen 3.229 N/A GLN 161.A N ASP 157.A O no hydrogen 2.961 N/A SER 162.A N CYS 158.A O no hydrogen 2.952 N/A SER 162.A OG CYS 158.A O no hydrogen 2.620 N/A ILE 164.A N ASN 163.A OD1 no hydrogen 2.839 N/A THR 165.A OG1 ASN 88.A OD1 no hydrogen 2.624 N/A TYR 167.A N THR 165.A OG1 no hydrogen 3.175 N/A MET 168.A N THR 165.A O no hydrogen 3.119 N/A PHE 169.A N TYR 218.A O no hydrogen 2.863 N/A ALA 171.A N GLY 216.A O no hydrogen 3.067 N/A GLY 172.A N PRO 151.A O no hydrogen 2.927 N/A SER 177.A N ASP 175.A OD1 no hydrogen 3.108 N/A SER 177.A OG ASP 175.A OD1 no hydrogen 2.666 N/A SER 177.A OG ASP 175.A OD2 no hydrogen 3.156 N/A LYS 178.A NZ SER 177.A OG no hydrogen 2.868 N/A ASP 179.A N VAL 2.A O no hydrogen 3.082 N/A CYS 181.A N ASP 184.A OD2 no hydrogen 2.933 N/A CYS 181.A SG GLN 134.A OE1 no hydrogen 3.842 N/A CYS 181.A SG LEU 136.A O no hydrogen 3.890 N/A ASP 184.A N CYS 181.A O no hydrogen 2.884 N/A SER 185.A OG HIS 41.A NE2 no hydrogen 3.331 N/A SER 185.A OG SER 204.A O no hydrogen 2.775 N/A GLY 186.A N VAL 203.A O no hydrogen 2.806 N/A GLY 187.A N ASP 184.A O no hydrogen 3.058 N/A HIS 189.A N GLY 201.A O no hydrogen 2.931 N/A HIS 189.A ND1 THR 200.A OG1 no hydrogen 2.769 N/A ALA 190.A N LEU 128.A O no hydrogen 2.803 N/A THR 191.A N TYR 198.A O no hydrogen 2.848 N/A THR 191.A OG1 SER 127.A OG no hydrogen 2.602 N/A THR 191.A OG1 THR 200.A OG1 no hydrogen 2.606 N/A TYR 193.A N THR 196.A O no hydrogen 2.886 N/A ARG 194.A NE.A TYR 193.A OH no hydrogen 3.031 N/A ARG 194.A NH2.A TYR 193.A OH no hydrogen 3.040 N/A GLY 195.A N HIS 192.A NE2 no hydrogen 3.266 N/A THR 196.A N TYR 193.A O no hydrogen 3.268 N/A TYR 198.A N THR 191.A O no hydrogen 2.860 N/A LEU 199.A N CYS 110.A O no hydrogen 2.961 N/A THR 200.A N HIS 189.A O no hydrogen 3.077 N/A THR 200.A OG1 HIS 189.A ND1 no hydrogen 2.769 N/A THR 200.A OG1 HIS 189.A O no hydrogen 3.025 N/A THR 200.A OG1 THR 191.A OG1 no hydrogen 2.606 N/A GLY 201.A N HIS 189.A O no hydrogen 3.186 N/A ILE 202.A N THR 219.A O no hydrogen 3.317 N/A VAL 203.A N GLY 187.A O no hydrogen 3.016 N/A SER 204.A N VAL 217.A O no hydrogen 3.259 N/A SER 204.A OG ASP 90.A OD2 no hydrogen 2.722 N/A TRP 205.A NE1 THR 86.A O no hydrogen 2.970 N/A CYS 209.A SG SER 180.A O no hydrogen 3.658 N/A ALA 210.A N ASP 179.A OD2 no hydrogen 2.881 N/A THR 211.A OG1 GLY 208.A O no hydrogen 2.912 N/A GLY 213.A N SER 174.A O no hydrogen 2.729 N/A HIS 214.A N THR 211.A O no hydrogen 3.200 N/A GLY 216.A N ALA 171.A O no hydrogen 3.092 N/A TYR 218.A N PHE 169.A O no hydrogen 2.903 N/A THR 219.A N ILE 202.A O no hydrogen 2.977 N/A THR 219.A OG1 ASP 90.A O no hydrogen 2.691 N/A ARG 220.A N TYR 167.A O no hydrogen 2.872 N/A ARG 220.A NE.A MET 168.A O no hydrogen 2.925 N/A ARG 220.A NE.B MET 168.A O no hydrogen 3.045 N/A ARG 220.A NH2.A MET 168.A O no hydrogen 2.847 N/A ARG 220.A NH2.B MET 168.A O no hydrogen 2.951 N/A VAL 221.A N THR 200.A O no hydrogen 3.237 N/A GLN 223.A N ARG 220.A O no hydrogen 3.145 N/A GLN 223.A NE2 GLU 166.A O no hydrogen 2.904 N/A TYR 224.A N VAL 221.A O no hydrogen 2.828 N/A TYR 224.A OH HIS 89.A ND1 no hydrogen 2.743 N/A LEU 228.A N TYR 224.A O no hydrogen 2.828 N/A GLN 229.A N ILE 225.A O no hydrogen 2.860 N/A LYS 230.A N GLU 226.A O no hydrogen 3.031 N/A LEU 231.A N TRP 227.A O no hydrogen 3.216 N/A MET 232.A N LEU 228.A O no hydrogen 2.958 N/A ARG 233.A N LYS 230.A O no hydrogen 3.130 N/A SER 234.A N LEU 231.A O no hydrogen 3.018 N/A SER 234.A OG LEU 231.A O no hydrogen 2.610 N/A ARG 237.A N GLN 75.A OE1 no hydrogen 2.996 N/A LEU 242.A N VAL 76.A O no hydrogen 2.869 N/A ALA 244.A N ILE 78.A O no hydrogen 2.998 N/A PHE 246.A N SER 80.A OG no hydrogen 3.058 N/A