Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4u00_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.A N VAL 25.A O no hydrogen 2.819 N/A ILE 3.A N VAL 25.A O no hydrogen 3.220 N/A ARG 4.A N VAL 60.A O no hydrogen 2.656 N/A ARG 4.A NH2 GLU 58.A OE2 no hydrogen 3.482 N/A ILE 5.A N LEU 23.A O no hydrogen 2.781 N/A ARG 6.A N GLU 58.A O no hydrogen 2.975 N/A LEU 8.A N ILE 21.A O no hydrogen 3.061 N/A HIS 9.A N GLU 56.A O no hydrogen 2.825 N/A HIS 9.A ND1 HIS 16.A NE2 no hydrogen 2.859 N/A LYS 10.A N LEU 18.A O no hydrogen 3.099 N/A LYS 10.A NZ GLU 52.A OE1 no hydrogen 2.930 N/A LYS 10.A NZ ASP 53.A O no hydrogen 2.764 N/A TRP 11.A N GLN 55.A OE1 no hydrogen 2.536 N/A PHE 12.A N LEU 15.A O no hydrogen 2.851 N/A LEU 15.A N PHE 12.A O no hydrogen 2.895 N/A HIS 16.A NE2 HIS 9.A ND1 no hydrogen 2.859 N/A VAL 17.A N LYS 10.A O no hydrogen 2.806 N/A LEU 18.A N LYS 10.A O no hydrogen 3.280 N/A LYS 19.A N GLY 212.A O no hydrogen 2.912 N/A GLY 20.A N LEU 8.A O no hydrogen 2.715 N/A ILE 21.A N LEU 8.A O no hydrogen 3.153 N/A LEU 23.A N ILE 5.A O no hydrogen 2.889 N/A VAL 25.A N ILE 3.A O no hydrogen 2.917 N/A ALA 26.A N GLU 29.A OE2 no hydrogen 2.877 N/A GLY 28.A N THR 188.A OG1 no hydrogen 2.811 N/A GLU 29.A N ALA 26.A O no hydrogen 3.128 N/A LYS 30.A N ASP 204.A OD2 no hydrogen 2.909 N/A LYS 30.A NZ GLY 28.A O no hydrogen 2.793 N/A LYS 30.A NZ GLY 185.A O no hydrogen 2.522 N/A LYS 30.A NZ MET 187.A O no hydrogen 3.032 N/A LEU 31.A N MET 189.A O no hydrogen 2.737 N/A VAL 32.A N ARG 205.A O no hydrogen 2.937 N/A ILE 33.A N VAL 191.A O no hydrogen 2.832 N/A ILE 34.A N VAL 207.A O no hydrogen 2.857 N/A SER 39.A N PRO 36.A O no hydrogen 3.042 N/A SER 39.A OG PRO 36.A O no hydrogen 2.661 N/A SER 39.A OG MET 209.A O no hydrogen 3.533 N/A LYS 41.A NZ GLY 35.A O no hydrogen 2.746 N/A LYS 41.A NZ PRO 36.A O no hydrogen 2.974 N/A SER 42.A OG ASP 161.A OD1 no hydrogen 3.272 N/A SER 42.A OG ASP 161.A OD2 no hydrogen 2.384 N/A LEU 44.A N GLY 40.A O no hydrogen 3.049 N/A ILE 45.A N LYS 41.A O no hydrogen 3.110 N/A ARG 46.A N SER 42.A O no hydrogen 2.901 N/A ARG 46.A NE GLU 52.A OE2 no hydrogen 3.484 N/A ARG 46.A NH2 GLU 52.A OE2 no hydrogen 2.941 N/A THR 47.A N THR 43.A O no hydrogen 3.073 N/A THR 47.A N LEU 44.A O no hydrogen 3.088 N/A THR 47.A OG1 LEU 44.A O no hydrogen 2.972 N/A ILE 48.A N ILE 45.A O no hydrogen 3.082 N/A ARG 50.A N THR 47.A O no hydrogen 3.287 N/A LEU 51.A N ARG 46.A O no hydrogen 2.819 N/A GLU 52.A N ARG 46.A O no hydrogen 3.247 N/A GLN 55.A N HIS 9.A O no hydrogen 3.239 N/A GLU 56.A N HIS 9.A O no hydrogen 3.322 N/A GLY 57.A N GLU 56.A OE2 no hydrogen 3.274 N/A GLU 58.A N ARG 6.A O no hydrogen 2.936 N/A VAL 60.A N ARG 4.A O no hydrogen 2.781 N/A VAL 61.A N LEU 64.A O no hydrogen 2.782 N/A ASP 62.A N ILE 2.A O no hydrogen 2.673 N/A LEU 64.A N VAL 61.A O no hydrogen 3.080 N/A VAL 66.A N VAL 59.A O no hydrogen 2.789 N/A LYS 67.A N SER 65.A OG no hydrogen 3.357 N/A LYS 67.A NZ GLY 57.A O no hydrogen 3.535 N/A ASP 68.A N SER 65.A O no hydrogen 3.116 N/A ARG 70.A N ASP 68.A OD1 no hydrogen 2.931 N/A ALA 71.A N ASP 68.A O no hydrogen 2.946 N/A ARG 73.A N ALA 71.A O no hydrogen 2.490 N/A ILE 75.A N ALA 71.A O no hydrogen 2.857 N/A ARG 77.A N ARG 73.A O no hydrogen 3.192 N/A GLU 78.A N GLU 74.A O no hydrogen 3.112 N/A GLY 80.A N ILE 157.A O no hydrogen 2.785 N/A VAL 82.A N LEU 159.A O no hydrogen 2.852 N/A PHE 89.A N ASN 97.A OD1 no hydrogen 2.743 N/A MET 92.A N PHE 89.A O no hydrogen 3.303 N/A THR 93.A N GLU 96.A OE1 no hydrogen 3.103 N/A VAL 94.A N LYS 132.A O no hydrogen 2.839 N/A LEU 95.A N ALA 130.A O no hydrogen 2.933 N/A GLU 96.A N THR 93.A OG1 no hydrogen 2.986 N/A ASN 97.A N THR 93.A O no hydrogen 2.832 N/A ASN 97.A ND2 PHE 89.A O no hydrogen 3.111 N/A ASN 97.A ND2 THR 93.A O no hydrogen 2.996 N/A VAL 98.A N VAL 94.A O no hydrogen 3.084 N/A VAL 98.A N LEU 95.A O no hydrogen 3.096 N/A THR 99.A N LEU 95.A O no hydrogen 3.059 N/A THR 99.A OG1 LEU 95.A O no hydrogen 3.360 N/A THR 99.A OG1 GLU 96.A O no hydrogen 3.393 N/A LEU 100.A N GLU 96.A O no hydrogen 3.203 N/A MET 103.A N THR 99.A O no hydrogen 2.991 N/A ARG 104.A N LEU 100.A O no hydrogen 2.680 N/A VAL 105.A N ALA 101.A O no hydrogen 2.588 N/A ARG 106.A NH1 ARG 77.A O no hydrogen 3.435 N/A ARG 106.A NH2 GLU 78.A OE2 no hydrogen 3.263 N/A TRP 108.A N PRO 102.A O no hydrogen 3.040 N/A GLU 111.A N GLU 111.A OE2 no hydrogen 2.928 N/A ALA 113.A N PRO 109.A O no hydrogen 2.905 N/A GLU 114.A N ARG 110.A O no hydrogen 2.739 N/A LYS 115.A N GLU 111.A O no hydrogen 3.130 N/A LYS 116.A N LYS 112.A O no hydrogen 3.137 N/A LYS 116.A NZ GLU 154.A OE1 no hydrogen 3.529 N/A ALA 117.A N ALA 113.A O no hydrogen 2.959 N/A LEU 118.A N GLU 114.A O no hydrogen 2.828 N/A GLU 119.A N LYS 115.A O no hydrogen 3.276 N/A LEU 120.A N LYS 116.A O no hydrogen 2.932 N/A LEU 121.A N ALA 117.A O no hydrogen 2.781 N/A GLU 122.A N LEU 118.A O no hydrogen 3.018 N/A ARG 123.A N GLU 119.A O no hydrogen 2.913 N/A VAL 124.A N LEU 120.A O no hydrogen 3.038 N/A GLY 125.A N GLU 122.A O no hydrogen 3.113 N/A ILE 126.A N LEU 121.A O no hydrogen 2.898 N/A GLN 129.A N ILE 126.A O no hydrogen 2.871 N/A ALA 130.A N LEU 127.A O no hydrogen 2.972 N/A LYS 132.A N GLN 129.A O no hydrogen 2.868 N/A TYR 133.A N GLN 136.A OE1 no hydrogen 2.803 N/A GLN 136.A N TYR 133.A O no hydrogen 2.851 N/A LEU 137.A N PRO 134.A O no hydrogen 3.101 N/A SER 138.A N GLN 141.A OE1 no hydrogen 2.995 N/A SER 138.A OG GLN 141.A OE1 no hydrogen 3.320 N/A GLN 141.A N SER 138.A OG no hydrogen 3.195 N/A GLN 142.A N SER 138.A O no hydrogen 2.913 N/A GLN 143.A N GLY 139.A O no hydrogen 3.137 N/A GLN 143.A NE2 PHE 83.A O no hydrogen 2.883 N/A GLN 143.A NE2 GLN 84.A O no hydrogen 3.567 N/A GLN 143.A NE2 PRO 163.A O no hydrogen 2.855 N/A ARG 144.A N GLY 140.A O no hydrogen 3.333 N/A ARG 144.A NE GLY 140.A O no hydrogen 3.366 N/A ARG 144.A NH1 VAL 124.A O no hydrogen 2.890 N/A ARG 144.A NH2 GLU 174.A OE2 no hydrogen 3.001 N/A VAL 145.A N GLN 141.A O no hydrogen 2.932 N/A ALA 146.A N GLN 142.A O no hydrogen 3.036 N/A ILE 147.A N GLN 143.A O no hydrogen 2.995 N/A ALA 148.A N ARG 144.A O no hydrogen 2.999 N/A ARG 149.A N VAL 145.A O no hydrogen 2.768 N/A ARG 149.A NH1 ASN 87.A O no hydrogen 3.101 N/A ARG 149.A NH2 ASN 87.A OD1 no hydrogen 3.078 N/A ALA 150.A N ALA 146.A O no hydrogen 3.035 N/A LEU 151.A N ILE 147.A O no hydrogen 2.975 N/A ALA 152.A N ALA 148.A O no hydrogen 2.890 N/A ALA 152.A N ARG 149.A O no hydrogen 3.238 N/A GLU 154.A N LEU 151.A O no hydrogen 2.824 N/A LYS 156.A N GLU 78.A O no hydrogen 2.840 N/A ILE 157.A N GLU 78.A O no hydrogen 3.074 N/A MET 158.A N THR 188.A O no hydrogen 2.964 N/A LEU 159.A N GLY 80.A O no hydrogen 2.943 N/A PHE 160.A N VAL 190.A O no hydrogen 2.765 N/A ASP 161.A N VAL 82.A O no hydrogen 2.866 N/A GLU 162.A N VAL 192.A O no hydrogen 2.810 N/A SER 165.A N GLU 162.A O no hydrogen 3.181 N/A SER 165.A OG GLU 162.A OE1 no hydrogen 2.568 N/A LEU 167.A N THR 164.A O no hydrogen 3.120 N/A MET 171.A N ASP 168.A O no hydrogen 2.691 N/A VAL 172.A N PRO 169.A O no hydrogen 3.349 N/A VAL 175.A N VAL 172.A O no hydrogen 3.122 N/A LEU 176.A N VAL 172.A O no hydrogen 2.999 N/A ASP 177.A N GLY 173.A O no hydrogen 2.841 N/A VAL 178.A N GLU 174.A O no hydrogen 3.388 N/A MET 179.A N VAL 175.A O no hydrogen 3.196 N/A ARG 180.A N LEU 176.A O no hydrogen 2.805 N/A ARG 180.A NE GLU 201.A OE1 no hydrogen 2.846 N/A ARG 180.A NE GLU 201.A OE2 no hydrogen 2.928 N/A ARG 180.A NH1 ASP 177.A OD1 no hydrogen 2.948 N/A ARG 180.A NH2 GLU 201.A OE2 no hydrogen 2.756 N/A ASP 181.A N ASP 177.A O no hydrogen 2.997 N/A LEU 182.A N VAL 178.A O no hydrogen 3.049 N/A ALA 183.A N MET 179.A O no hydrogen 3.043 N/A GLN 184.A N ASP 181.A O no hydrogen 3.020 N/A GLN 184.A NE2 ARG 180.A O no hydrogen 3.595 N/A GLY 185.A N LEU 182.A O no hydrogen 3.111 N/A THR 188.A N LYS 156.A O no hydrogen 3.396 N/A MET 189.A N GLU 29.A O no hydrogen 2.782 N/A VAL 190.A N MET 158.A O no hydrogen 2.992 N/A VAL 191.A N LEU 31.A O no hydrogen 2.883 N/A VAL 192.A N PHE 160.A O no hydrogen 2.782 N/A THR 193.A N ILE 33.A O no hydrogen 3.162 N/A GLU 195.A N THR 193.A OG1 no hydrogen 3.042 N/A ALA 199.A N GLU 195.A O no hydrogen 2.821 N/A ARG 200.A N MET 196.A O no hydrogen 2.759 N/A ARG 200.A NE GLU 221.A OE1 no hydrogen 2.708 N/A ARG 200.A NE GLU 221.A OE2 no hydrogen 3.078 N/A ARG 200.A NH2 GLU 221.A OE2 no hydrogen 2.441 N/A GLU 201.A N GLY 197.A O no hydrogen 3.017 N/A VAL 202.A N PHE 198.A O no hydrogen 3.117 N/A ALA 203.A N ALA 199.A O no hydrogen 3.143 N/A ASP 204.A N LYS 30.A O no hydrogen 2.860 N/A ARG 205.A NE GLU 217.A OE1 no hydrogen 3.086 N/A ARG 205.A NH1 GLU 24.A O no hydrogen 3.058 N/A ARG 205.A NH1 GLU 29.A OE1 no hydrogen 3.088 N/A ARG 205.A NH2 GLU 217.A OE1 no hydrogen 2.824 N/A VAL 206.A N GLY 218.A O no hydrogen 2.714 N/A VAL 207.A N VAL 32.A O no hydrogen 2.737 N/A PHE 208.A N GLU 216.A O no hydrogen 2.777 N/A MET 209.A N ILE 34.A O no hydrogen 2.822 N/A ASP 210.A N GLN 213.A O no hydrogen 3.014 N/A GLY 212.A N SER 39.A O no hydrogen 2.795 N/A GLN 213.A N ASP 210.A O no hydrogen 2.955 N/A VAL 215.A N PHE 208.A O no hydrogen 2.944 N/A GLY 218.A N VAL 206.A O no hydrogen 3.013 N/A ILE 223.A N ARG 219.A O no hydrogen 3.017 N/A PHE 224.A N PRO 220.A O no hydrogen 2.974 N/A THR 225.A N GLU 221.A O no hydrogen 2.862 N/A THR 225.A OG1 GLU 221.A O no hydrogen 2.735 N/A ARG 226.A N GLU 222.A O no hydrogen 2.676 N/A LYS 228.A N GLU 216.A OE2 no hydrogen 2.715 N/A GLU 229.A N GLU 216.A OE1 no hydrogen 2.828 N/A THR 232.A OG1 GLU 216.A OE1 no hydrogen 2.722 N/A ARG 233.A N GLU 229.A O no hydrogen 3.069 N/A SER 234.A N GLU 230.A O no hydrogen 2.719 N/A PHE 235.A N ARG 231.A O no hydrogen 2.952 N/A LEU 236.A N THR 232.A O no hydrogen 2.965 N/A GLN 237.A N ARG 233.A O no hydrogen 3.071 N/A ARG 238.A N PHE 235.A O no hydrogen 3.286 N/A LEU 240.A N LEU 236.A O no hydrogen 3.138 N/A