Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r2q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 55.A OE1 no hydrogen 3.565 N/A LYS 2.A N VAL 53.A O no hydrogen 2.972 N/A LYS 2.A NZ GLU 27.A OE1 no hydrogen 2.476 N/A LEU 3.A N GLU 27.A O no hydrogen 2.865 N/A VAL 4.A N VAL 51.A O no hydrogen 2.811 N/A GLY 5.A N ILE 29.A O no hydrogen 2.965 N/A SER 9.A N SER 6.A OG no hydrogen 3.146 N/A VAL 12.A N SER 9.A OG no hydrogen 3.322 N/A ARG 13.A N SER 9.A O no hydrogen 2.976 N/A ARG 13.A NE THR 196.A OG1 no hydrogen 2.909 N/A ARG 13.A NH2 PHE 193.A O no hydrogen 2.838 N/A ARG 13.A NH2 GLU 197.A OE1.B no hydrogen 3.102 N/A LYS 14.A N PRO 10.A O no hydrogen 3.029 N/A LYS 14.A NZ SER 63.A OG no hydrogen 2.877 N/A LYS 14.A NZ GLU 94.A OE2 no hydrogen 2.790 N/A LYS 14.A NZ ASP 98.A OD1 no hydrogen 2.811 N/A SER 16.A N VAL 12.A O no hydrogen 2.933 N/A SER 16.A OG VAL 12.A O no hydrogen 3.432 N/A ILE 17.A N ARG 13.A O no hydrogen 2.897 N/A LEU 18.A N.A LYS 14.A O no hydrogen 3.085 N/A LEU 18.A N.B LYS 14.A O no hydrogen 3.150 N/A LEU 19.A N LEU 15.A O no hydrogen 2.998 N/A LEU 20.A N SER 16.A O no hydrogen 2.887 N/A GLU 21.A N ILE 17.A O no hydrogen 2.826 N/A LYS 22.A N LEU 18.A O.A no hydrogen 3.251 N/A LYS 22.A N LEU 18.A O.B no hydrogen 3.090 N/A LYS 22.A NZ GLU 71.A OE1.B no hydrogen 2.962 N/A LYS 22.A NZ GLU 71.A OE2.A no hydrogen 2.647 N/A LYS 22.A NZ VAL 75.A O no hydrogen 2.940 N/A LYS 22.A NZ PRO 77.A O no hydrogen 2.801 N/A GLY 23.A N LEU 20.A O no hydrogen 3.073 N/A ILE 24.A N LEU 19.A O no hydrogen 2.981 N/A GLU 27.A N MET 1.A O no hydrogen 3.018 N/A ILE 29.A N LEU 3.A O no hydrogen 2.857 N/A GLU 31.A N GLY 5.A O no hydrogen 2.778 N/A ASN 35.A N.A LEU 32.A O no hydrogen 3.008 N/A ASN 35.A N.B LEU 32.A O no hydrogen 2.925 N/A ASP 37.A N.A ASN 35.A OD1.B no hydrogen 2.950 N/A ASP 37.A N.B ASN 35.A OD1.B no hydrogen 3.128 N/A ASN 38.A ND2 ASN 35.A O.A no hydrogen 2.955 N/A ASN 38.A ND2 ASN 35.A O.B no hydrogen 2.758 N/A GLY 39.A N GLU 31.A OE1 no hydrogen 2.905 N/A VAL 40.A N ASN 38.A OD1 no hydrogen 2.855 N/A GLN 42.A NE2 GLY 39.A O no hydrogen 2.998 N/A PHE 43.A N VAL 40.A O no hydrogen 2.857 N/A ASN 44.A N VAL 40.A O no hydrogen 3.018 N/A ASN 44.A ND2 LYS 48.A O no hydrogen 2.942 N/A LEU 46.A N ASN 44.A OD1 no hydrogen 2.929 N/A GLY 47.A N ASN 44.A O no hydrogen 2.877 N/A VAL 51.A N VAL 4.A O no hydrogen 3.109 N/A LEU 52.A N TRP 60.A O no hydrogen 2.960 N/A VAL 53.A N LYS 2.A O no hydrogen 2.875 N/A THR 54.A N GLU 58.A O no hydrogen 2.913 N/A THR 54.A OG1 GLU 56.A OE1 no hydrogen 3.255 N/A GLU 56.A N THR 54.A OG1 no hydrogen 3.206 N/A GLY 57.A N THR 54.A O no hydrogen 3.276 N/A CYS 59.A SG GLY 57.A O no hydrogen 3.757 N/A TRP 60.A N LEU 52.A O no hydrogen 2.795 N/A ILE 66.A N ASP 62.A O no hydrogen 3.014 N/A ALA 67.A N SER 63.A O no hydrogen 2.964 N/A GLU 68.A N.A PRO 64.A O no hydrogen 3.031 N/A GLU 68.A N.B PRO 64.A O no hydrogen 3.062 N/A TYR 69.A N ILE 65.A O no hydrogen 2.879 N/A ILE 70.A N ILE 66.A O no hydrogen 2.943 N/A GLU 71.A N.A ALA 67.A O no hydrogen 2.958 N/A GLU 71.A N.B ALA 67.A O no hydrogen 2.973 N/A LEU 72.A N.A GLU 68.A O.A no hydrogen 3.039 N/A LEU 72.A N.A GLU 68.A O.B no hydrogen 2.925 N/A LEU 72.A N.B TYR 69.A O no hydrogen 3.115 N/A MET 73.A N.A TYR 69.A O no hydrogen 3.309 N/A MET 73.A N.A ILE 70.A O no hydrogen 2.973 N/A MET 73.A N.B ILE 70.A O no hydrogen 3.107 N/A ASN 74.A N GLU 71.A O.A no hydrogen 3.058 N/A MET 79.A N GLU 71.A OE1.A no hydrogen 3.169 N/A MET 79.A N GLU 71.A OE1.B no hydrogen 3.311 N/A MET 79.A N GLU 71.A OE2.A no hydrogen 2.984 N/A MET 79.A N GLU 71.A OE2.B no hydrogen 3.102 N/A LEU 80.A N GLU 71.A OE1.A no hydrogen 3.255 N/A LEU 80.A N GLU 71.A OE2.B no hydrogen 3.326 N/A GLU 86.A N.A ASP 83.A OD2 no hydrogen 2.947 N/A GLU 86.A N.B ASP 83.A OD2 no hydrogen 2.917 N/A SER 87.A N ASP 83.A O no hydrogen 2.852 N/A LEU 88.A N PRO 84.A O no hydrogen 2.989 N/A ARG 89.A N LEU 85.A O no hydrogen 2.916 N/A ARG 89.A NH1 GLU 86.A OE2.A no hydrogen 2.801 N/A VAL 90.A N GLU 86.A O.A no hydrogen 3.019 N/A VAL 90.A N GLU 86.A O.B no hydrogen 3.081 N/A ARG 91.A N.A SER 87.A O no hydrogen 2.956 N/A ARG 91.A N.B SER 87.A O no hydrogen 2.957 N/A ARG 91.A NE.A SER 87.A OG no hydrogen 3.244 N/A ARG 91.A NE.B SER 87.A O no hydrogen 3.300 N/A ARG 91.A NE.B SER 87.A OG no hydrogen 3.108 N/A ARG 91.A NH2.B SER 87.A OG no hydrogen 2.687 N/A LYS 92.A N LEU 88.A O no hydrogen 2.821 N/A ILE 93.A N ARG 89.A O no hydrogen 3.202 N/A GLU 94.A N VAL 90.A O no hydrogen 2.900 N/A ALA 95.A N ARG 91.A O.A no hydrogen 2.898 N/A ALA 95.A N ARG 91.A O.B no hydrogen 2.873 N/A LEU 96.A N LYS 92.A O no hydrogen 2.980 N/A ALA 97.A N ILE 93.A O no hydrogen 2.968 N/A ASP 98.A N GLU 94.A O no hydrogen 2.786 N/A GLY 99.A N ALA 95.A O no hydrogen 2.878 N/A ILE 100.A N LEU 96.A O no hydrogen 3.000 N/A MET 101.A N.A ALA 97.A O no hydrogen 2.989 N/A MET 101.A N.B ALA 97.A O no hydrogen 2.997 N/A ASP 102.A N ASP 98.A O no hydrogen 2.821 N/A ALA 103.A N GLY 99.A O no hydrogen 2.976 N/A GLY 104.A N ILE 100.A O no hydrogen 2.916 N/A LEU 105.A N MET 101.A O.A no hydrogen 2.835 N/A LEU 105.A N MET 101.A O.B no hydrogen 3.004 N/A VAL 106.A N ASP 102.A O no hydrogen 2.890 N/A SER 107.A N ALA 103.A O no hydrogen 3.074 N/A SER 107.A OG ALA 103.A O no hydrogen 2.833 N/A VAL 108.A N GLY 104.A O no hydrogen 2.961 N/A ARG 109.A N LEU 105.A O no hydrogen 2.821 N/A GLU 110.A N VAL 106.A O no hydrogen 2.861 N/A GLN 111.A N SER 107.A O no hydrogen 3.092 N/A ALA 112.A N VAL 108.A O no hydrogen 3.078 N/A ALA 112.A N ARG 109.A O no hydrogen 3.117 N/A ARG 113.A N.A GLU 110.A O no hydrogen 3.186 N/A ARG 113.A N.B GLU 110.A O no hydrogen 3.149 N/A ARG 113.A NE.A GLN 117.A O.A no hydrogen 3.422 N/A ARG 113.A NE.A GLN 117.A O.B no hydrogen 3.027 N/A ARG 113.A NH2.A GLN 117.A O.B no hydrogen 3.533 N/A GLN 117.A N.A PRO 114.A O no hydrogen 2.791 N/A GLN 117.A N.B PRO 114.A O no hydrogen 2.788 N/A GLN 118.A N ALA 115.A O no hydrogen 3.187 N/A SER 119.A N GLU 110.A OE2 no hydrogen 2.732 N/A GLU 122.A N.A SER 119.A OG no hydrogen 2.982 N/A GLU 122.A N.B SER 119.A OG no hydrogen 2.926 N/A LEU 123.A N SER 119.A O no hydrogen 3.195 N/A LEU 124.A N GLU 120.A O no hydrogen 2.963 N/A ARG 125.A N.A ASP 121.A O no hydrogen 2.982 N/A ARG 125.A N.B ASP 121.A O no hydrogen 2.916 N/A ARG 125.A NE.B GLU 122.A OE1.A no hydrogen 2.856 N/A ARG 125.A NE.B GLU 122.A OE2.B no hydrogen 3.433 N/A ARG 125.A NH2.B GLU 122.A OE1.A no hydrogen 3.177 N/A ARG 125.A NH2.B GLU 122.A OE2.A no hydrogen 3.524 N/A ARG 125.A NH2.B GLU 122.A OE2.B no hydrogen 2.960 N/A GLN 126.A N GLU 122.A O.A no hydrogen 3.009 N/A GLN 126.A N GLU 122.A O.B no hydrogen 3.074 N/A GLN 126.A NE2 GLU 122.A OE2.A no hydrogen 2.972 N/A GLN 126.A NE2 GLU 122.A OE2.B no hydrogen 2.839 N/A ARG 127.A N LEU 123.A O no hydrogen 3.030 N/A GLU 128.A N LEU 124.A O no hydrogen 2.967 N/A LYS 129.A N ARG 125.A O.A no hydrogen 3.083 N/A LYS 129.A N ARG 125.A O.B no hydrogen 3.071 N/A ILE 130.A N GLN 126.A O no hydrogen 3.053 N/A ASN 131.A N ARG 127.A O no hydrogen 2.942 N/A ARG 132.A N GLU 128.A O no hydrogen 2.920 N/A SER 133.A N LYS 129.A O no hydrogen 3.015 N/A SER 133.A OG LYS 129.A O no hydrogen 2.790 N/A LEU 134.A N ILE 130.A O no hydrogen 2.836 N/A ASP 135.A N ASN 131.A O no hydrogen 3.009 N/A VAL 136.A N ARG 132.A O no hydrogen 3.057 N/A LEU 137.A N SER 133.A O no hydrogen 2.994 N/A GLU 138.A N LEU 134.A O no hydrogen 2.931 N/A GLY 139.A N ASP 135.A O no hydrogen 2.949 N/A TYR 140.A N VAL 136.A O no hydrogen 2.925 N/A LEU 141.A N LEU 137.A O no hydrogen 3.166 N/A VAL 142.A N GLU 138.A O no hydrogen 2.911 N/A ASP 143.A N GLY 139.A O no hydrogen 2.903 N/A LEU 146.A N TYR 140.A O no hydrogen 3.208 N/A LYS 147.A N THR 150.A OG1 no hydrogen 3.113 N/A LYS 147.A NZ ASP 149.A OD1 no hydrogen 3.116 N/A THR 150.A N LYS 147.A O no hydrogen 3.051 N/A THR 150.A OG1 LYS 147.A O no hydrogen 3.155 N/A ASN 152.A N THR 155.A OG1 no hydrogen 3.109 N/A LEU 153.A N MET 79.A O no hydrogen 2.902 N/A THR 155.A N ASN 152.A OD1 no hydrogen 2.963 N/A THR 155.A OG1 THR 150.A O no hydrogen 2.771 N/A THR 155.A OG1 ASN 152.A O no hydrogen 3.431 N/A ILE 156.A N ASN 152.A O no hydrogen 2.919 N/A ALA 157.A N LEU 153.A O no hydrogen 3.025 N/A ILE 158.A N ALA 154.A O no hydrogen 2.876 N/A ALA 159.A N THR 155.A O no hydrogen 2.967 N/A CYS 160.A N ILE 156.A O no hydrogen 2.914 N/A CYS 160.A SG ILE 156.A O no hydrogen 3.402 N/A ALA 161.A N ALA 157.A O no hydrogen 2.860 N/A VAL 162.A N ILE 158.A O no hydrogen 2.924 N/A GLY 163.A N ALA 159.A O no hydrogen 2.818 N/A TYR 164.A N CYS 160.A O no hydrogen 3.009 N/A LEU 165.A N ALA 161.A O no hydrogen 2.983 N/A ASN 166.A N VAL 162.A O no hydrogen 2.925 N/A PHE 167.A N GLY 163.A O no hydrogen 2.917 N/A ARG 168.A N TYR 164.A O no hydrogen 2.930 N/A ARG 169.A N ASN 166.A O no hydrogen 3.183 N/A VAL 170.A N.A LEU 165.A O no hydrogen 3.033 N/A VAL 170.A N.B LEU 165.A O no hydrogen 2.981 N/A TRP 174.A N ALA 171.A O.A no hydrogen 2.889 N/A TRP 174.A N ALA 171.A O.B no hydrogen 3.099 N/A ARG 177.A NE ASP 135.A OD1 no hydrogen 2.900 N/A ARG 177.A NH1 TRP 174.A O no hydrogen 2.962 N/A ARG 177.A NH2 ASP 135.A OD1 no hydrogen 2.918 N/A HIS 179.A N GLU 138.A OE2 no hydrogen 3.062 N/A HIS 179.A ND1 GLU 138.A OE2 no hydrogen 3.009 N/A LEU 180.A N.A GLU 138.A OE1 no hydrogen 2.767 N/A LEU 180.A N.B GLU 138.A OE1 no hydrogen 2.796 N/A VAL 181.A N ARG 177.A O no hydrogen 3.035 N/A LYS 182.A N PRO 178.A O no hydrogen 3.068 N/A LEU 183.A N HIS 179.A O no hydrogen 2.907 N/A VAL 184.A N.A LEU 180.A O.A no hydrogen 2.987 N/A VAL 184.A N.A LEU 180.A O.B no hydrogen 2.934 N/A VAL 184.A N.B LEU 180.A O.A no hydrogen 2.915 N/A VAL 184.A N.B LEU 180.A O.B no hydrogen 2.862 N/A GLU 185.A N VAL 181.A O no hydrogen 2.893 N/A ASN 186.A N LYS 182.A O no hydrogen 2.943 N/A ASN 186.A ND2 THR 148.A O no hydrogen 2.910 N/A LEU 187.A N LEU 183.A O no hydrogen 3.104 N/A PHE 188.A N VAL 184.A O.A no hydrogen 2.793 N/A PHE 188.A N VAL 184.A O.B no hydrogen 2.934 N/A SER 189.A N GLU 185.A O no hydrogen 3.173 N/A SER 189.A OG ASN 186.A O no hydrogen 2.708 N/A ARG 190.A N LEU 187.A O no hydrogen 2.989 N/A ARG 190.A NE GLU 21.A OE2 no hydrogen 2.837 N/A ARG 190.A NH2 GLU 21.A OE1 no hydrogen 2.818 N/A ARG 190.A NH2 GLU 21.A OE2 no hydrogen 3.531 N/A SER 192.A OG GLU 21.A OE2 no hydrogen 2.694 N/A ALA 194.A N ARG 190.A O no hydrogen 3.029 N/A ARG 195.A N GLU 191.A O no hydrogen 2.927 N/A THR 196.A N PHE 193.A O no hydrogen 3.099 N/A THR 196.A OG1 SER 192.A O no hydrogen 2.856 N/A THR 196.A OG1 PHE 193.A O no hydrogen 3.287 N/A