Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3thq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 5.A N ASP 32.A OD1 no hydrogen 2.858 N/A ASN 6.A ND2 TYR 30.A O no hydrogen 2.845 N/A ARG 7.A N VAL 4.A O no hydrogen 3.044 N/A ARG 7.A NE ASP 190.A O no hydrogen 2.898 N/A ARG 7.A NH2 LEU 186.A O no hydrogen 3.071 N/A ARG 7.A NH2 ALA 189.A O no hydrogen 2.868 N/A LEU 8.A N MET 5.A O no hydrogen 3.297 N/A ILE 9.A N ILE 192.A O no hydrogen 2.809 N/A LEU 10.A N THR 33.A O no hydrogen 3.226 N/A ALA 11.A N VAL 194.A O no hydrogen 2.910 N/A MET 12.A N LYS 35.A O no hydrogen 2.954 N/A ASN 16.A ND2 ASP 19.A OD2 no hydrogen 2.540 N/A ARG 17.A N.A GLU 44.A OE2 no hydrogen 2.815 N/A ARG 17.A N.B GLU 44.A OE2 no hydrogen 2.827 N/A ARG 17.A NE.B GLU 44.A OE1 no hydrogen 3.370 N/A ARG 17.A NH1.B ASP 47.A OD1 no hydrogen 3.196 N/A ARG 17.A NH1.B GLU 51.A OE1.A no hydrogen 2.565 N/A ARG 17.A NH2.A GLU 51.A OE1.A no hydrogen 3.126 N/A ARG 17.A NH2.B GLU 44.A OE1 no hydrogen 3.252 N/A ARG 17.A NH2.B ASP 47.A OD1 no hydrogen 3.182 N/A ASP 19.A N ASN 16.A OD1 no hydrogen 3.042 N/A ALA 20.A N ASN 16.A O no hydrogen 3.003 N/A LEU 21.A N ARG 17.A O.A no hydrogen 2.877 N/A LEU 21.A N ARG 17.A O.B no hydrogen 2.839 N/A ARG 22.A N ASP 18.A O no hydrogen 3.020 N/A ARG 22.A NH1 ASP 19.A OD1 no hydrogen 2.899 N/A VAL 23.A N ASP 19.A O no hydrogen 2.922 N/A THR 24.A N ALA 20.A O no hydrogen 3.061 N/A THR 24.A OG1 ALA 20.A O no hydrogen 2.773 N/A GLY 25.A N LEU 21.A O no hydrogen 2.954 N/A GLU 26.A N ARG 22.A O no hydrogen 2.967 N/A VAL 27.A N VAL 23.A O no hydrogen 3.232 N/A VAL 27.A N THR 24.A O no hydrogen 3.127 N/A ARG 28.A N GLY 25.A O no hydrogen 3.412 N/A TYR 30.A N VAL 27.A O no hydrogen 2.920 N/A ILE 31.A N.B VAL 27.A O no hydrogen 3.188 N/A THR 33.A OG1 ASP 32.A OD1 no hydrogen 2.883 N/A VAL 34.A N ARG 59.A O no hydrogen 2.937 N/A LYS 35.A N LEU 10.A O no hydrogen 2.718 N/A LYS 35.A NZ ASP 63.A OD2 no hydrogen 2.593 N/A ILE 36.A N ILE 61.A O no hydrogen 2.868 N/A VAL 41.A N GLY 37.A O no hydrogen 3.032 N/A LEU 42.A N TYR 38.A O no hydrogen 2.759 N/A SER 43.A N LEU 40.A O no hydrogen 3.161 N/A SER 43.A OG PRO 39.A O no hydrogen 2.805 N/A GLU 44.A N LEU 40.A O no hydrogen 2.870 N/A GLY 45.A N VAL 41.A O no hydrogen 2.797 N/A ILE 48.A N GLY 45.A O no hydrogen 3.024 N/A ILE 49.A N MET 46.A O no hydrogen 3.080 N/A GLU 51.A N.A ASP 47.A O no hydrogen 3.076 N/A GLU 51.A N.B ASP 47.A O no hydrogen 3.065 N/A PHE 52.A N ILE 48.A O no hydrogen 2.994 N/A ARG 53.A N.A ILE 49.A O no hydrogen 3.049 N/A ARG 53.A N.B ILE 49.A O no hydrogen 3.084 N/A ARG 53.A NH1.A CYS 58.A O.A no hydrogen 2.723 N/A ARG 53.A NH1.A CYS 58.A O.B no hydrogen 2.123 N/A LYS 54.A N ALA 50.A O no hydrogen 2.953 N/A ARG 55.A N GLU 51.A O.A no hydrogen 2.882 N/A ARG 55.A N GLU 51.A O.B no hydrogen 3.073 N/A PHE 56.A N PHE 52.A O no hydrogen 2.809 N/A GLY 57.A N ARG 53.A O.A no hydrogen 2.850 N/A CYS 58.A SG.B ILE 31.A O.A no hydrogen 3.483 N/A CYS 58.A SG.B ILE 31.A O.B no hydrogen 4.006 N/A ARG 59.A N ASP 32.A O no hydrogen 2.918 N/A ARG 59.A NH1 ASP 32.A OD1 no hydrogen 3.006 N/A ARG 59.A NH1 THR 33.A OG1 no hydrogen 2.865 N/A ARG 59.A NH2 ASP 3.A O no hydrogen 2.759 N/A ILE 60.A N ASP 86.A OD2 no hydrogen 2.817 N/A ILE 61.A N VAL 34.A O no hydrogen 2.966 N/A ALA 62.A N ALA 87.A O no hydrogen 2.872 N/A ASP 63.A N ILE 36.A O no hydrogen 2.871 N/A PHE 64.A N ALA 62.A O no hydrogen 3.039 N/A LYS 65.A NZ ASP 63.A OD1 no hydrogen 2.811 N/A LYS 65.A NZ ASP 63.A OD2 no hydrogen 2.829 N/A VAL 66.A N ILE 89.A O no hydrogen 3.187 N/A ASP 68.A N ASN 73.A OD1 no hydrogen 2.910 N/A ILE 69.A N ASP 68.A OD1 no hydrogen 2.757 N/A GLU 71.A N.A GLU 71.A OE1.A no hydrogen 2.566 N/A GLU 71.A N.B GLU 71.A OE1.B no hydrogen 2.860 N/A ASN 73.A N ILE 69.A O no hydrogen 2.906 N/A ASN 73.A ND2 SER 98.A O no hydrogen 3.055 N/A GLU 74.A N.A PRO 70.A O no hydrogen 3.009 N/A GLU 74.A N.B PRO 70.A O no hydrogen 3.006 N/A LYS 75.A N.A GLU 71.A O.A no hydrogen 3.361 N/A LYS 75.A N.B GLU 71.A O.A no hydrogen 3.264 N/A LYS 75.A NZ.B GLU 71.A O.A no hydrogen 3.548 N/A LYS 75.A NZ.B GLU 71.A O.B no hydrogen 3.152 N/A ILE 76.A N THR 72.A O no hydrogen 2.965 N/A CYS 77.A N ASN 73.A O no hydrogen 2.984 N/A CYS 77.A SG ASN 73.A O no hydrogen 3.402 N/A ARG 78.A N.A GLU 74.A O.A no hydrogen 2.846 N/A ARG 78.A N.A GLU 74.A O.B no hydrogen 3.096 N/A ARG 78.A N.B GLU 74.A O.A no hydrogen 2.829 N/A ARG 78.A N.B GLU 74.A O.B no hydrogen 3.081 N/A ARG 78.A NE.A GLU 74.A OE2.B no hydrogen 2.691 N/A ARG 78.A NE.B GLU 74.A OE2.B no hydrogen 3.270 N/A ARG 78.A NH1.A GLU 108.A OE2 no hydrogen 2.583 N/A ARG 78.A NH2.A GLU 74.A OE2.B no hydrogen 3.006 N/A ARG 78.A NH2.A GLU 108.A OE1 no hydrogen 2.601 N/A ALA 79.A N LYS 75.A O.A no hydrogen 2.971 N/A ALA 79.A N LYS 75.A O.B no hydrogen 2.995 N/A THR 80.A N ILE 76.A O no hydrogen 2.989 N/A THR 80.A OG1 ILE 76.A O no hydrogen 2.798 N/A PHE 81.A N CYS 77.A O no hydrogen 2.870 N/A LYS 82.A N ARG 78.A O.A no hydrogen 3.016 N/A LYS 82.A N ARG 78.A O.B no hydrogen 2.838 N/A ALA 83.A N ALA 79.A O no hydrogen 3.313 N/A GLY 84.A N PHE 81.A O no hydrogen 2.962 N/A ALA 85.A N THR 80.A O no hydrogen 3.407 N/A ASP 86.A N ILE 60.A O no hydrogen 2.897 N/A ALA 87.A N ILE 60.A O no hydrogen 3.342 N/A ILE 88.A N GLU 112.A O.A no hydrogen 2.968 N/A ILE 88.A N GLU 112.A O.B no hydrogen 3.044 N/A ILE 89.A N ALA 62.A O no hydrogen 2.963 N/A VAL 90.A N PHE 114.A O no hydrogen 2.887 N/A HIS 91.A N VAL 66.A O no hydrogen 2.953 N/A GLY 92.A N LEU 116.A O no hydrogen 3.188 N/A GLY 95.A N GLY 92.A O no hydrogen 2.866 N/A SER 98.A N ASP 97.A OD1 no hydrogen 2.838 N/A SER 98.A OG ASP 68.A O no hydrogen 2.836 N/A VAL 99.A N GLY 95.A O no hydrogen 3.263 N/A ARG 100.A N ALA 96.A O no hydrogen 2.798 N/A ALA 101.A N ASP 97.A O no hydrogen 3.046 N/A CYS 102.A SG SER 98.A O no hydrogen 3.528 N/A LEU 103.A N VAL 99.A O no hydrogen 2.969 N/A ASN 104.A N ARG 100.A O no hydrogen 2.869 N/A VAL 105.A N ALA 101.A O no hydrogen 3.247 N/A ALA 106.A N CYS 102.A O no hydrogen 2.937 N/A GLU 107.A N.A LEU 103.A O no hydrogen 2.894 N/A GLU 107.A N.B LEU 103.A O no hydrogen 2.885 N/A GLU 108.A N ASN 104.A O no hydrogen 3.029 N/A MET 109.A N.A VAL 105.A O no hydrogen 2.840 N/A MET 109.A N.B VAL 105.A O no hydrogen 2.831 N/A GLY 110.A N GLU 107.A O.A no hydrogen 3.386 N/A GLY 110.A N GLU 107.A O.B no hydrogen 3.436 N/A ARG 111.A N ALA 106.A O no hydrogen 2.852 N/A ARG 111.A NH1 PHE 81.A O no hydrogen 2.926 N/A ARG 111.A NH1 ALA 85.A O no hydrogen 2.889 N/A GLU 112.A N.A ASP 86.A O no hydrogen 3.220 N/A GLU 112.A N.B ASP 86.A O no hydrogen 3.203 N/A PHE 114.A N ILE 88.A O no hydrogen 2.843 N/A LEU 115.A N ASN 146.A O no hydrogen 2.863 N/A LEU 116.A N VAL 90.A O no hydrogen 2.806 N/A THR 117.A N.A VAL 148.A O no hydrogen 3.228 N/A THR 117.A N.B VAL 148.A O no hydrogen 3.153 N/A THR 117.A OG1.B VAL 148.A O no hydrogen 2.896 N/A GLU 118.A N THR 117.A OG1.B no hydrogen 2.824 N/A SER 120.A OG GLN 178.A OE1 no hydrogen 2.634 N/A HIS 121.A N HIS 121.A ND1 no hydrogen 2.972 N/A ALA 124.A N HIS 121.A O no hydrogen 3.019 N/A GLU 125.A N PRO 122.A O no hydrogen 3.029 N/A MET 126.A N.A GLY 123.A O no hydrogen 3.037 N/A MET 126.A N.B GLY 123.A O no hydrogen 3.046 N/A GLN 129.A N ALA 124.A O no hydrogen 2.944 N/A ALA 131.A N ILE 128.A O no hydrogen 2.933 N/A ALA 132.A N GLN 129.A O no hydrogen 3.185 N/A ILE 135.A N ALA 131.A O no hydrogen 2.884 N/A ALA 136.A N ALA 132.A O no hydrogen 2.919 N/A ARG 137.A N ASP 133.A O no hydrogen 2.984 N/A MET 138.A N GLU 134.A O no hydrogen 2.856 N/A GLY 139.A N ILE 135.A O no hydrogen 2.893 N/A VAL 140.A N ALA 136.A O no hydrogen 3.002 N/A ASP 141.A N ARG 137.A O no hydrogen 2.930 N/A LEU 142.A N MET 138.A O no hydrogen 2.909 N/A GLY 143.A N VAL 140.A O no hydrogen 3.070 N/A VAL 144.A N GLY 139.A O no hydrogen 2.942 N/A ASN 146.A ND2 GLU 112.A OE2.B no hydrogen 3.049 N/A ASN 146.A ND2 VAL 113.A O no hydrogen 3.388 N/A TYR 147.A N PHE 169.A O no hydrogen 2.821 N/A TYR 147.A OH VAL 144.A O no hydrogen 2.798 N/A VAL 148.A N LEU 115.A O no hydrogen 2.882 N/A GLY 149.A N ILE 171.A O no hydrogen 3.187 N/A SER 151.A N PRO 173.A O no hydrogen 2.943 N/A SER 151.A OG THR 185.A OG1 no hydrogen 2.737 N/A THR 152.A OG1 SER 120.A O no hydrogen 2.700 N/A ARG 153.A NE GLU 125.A OE2 no hydrogen 3.301 N/A ARG 153.A NH1 GLU 118.A OE2 no hydrogen 2.909 N/A ARG 153.A NH1 MET 119.A O no hydrogen 2.789 N/A ARG 153.A NH2 HIS 121.A O no hydrogen 2.807 N/A GLU 155.A N GLU 155.A OE1 no hydrogen 2.744 N/A ARG 156.A NE GLU 118.A OE1 no hydrogen 2.681 N/A ARG 156.A NH1 ASP 133.A OD1 no hydrogen 3.038 N/A ARG 156.A NH2 GLU 118.A OE1 no hydrogen 3.005 N/A ARG 156.A NH2 ASP 133.A OD1 no hydrogen 2.762 N/A LEU 157.A N ARG 153.A O no hydrogen 2.933 N/A SER 158.A N PRO 154.A O no hydrogen 2.917 N/A ARG 159.A N GLU 155.A O no hydrogen 3.126 N/A ARG 159.A NH1 GLU 162.A OE1 no hydrogen 2.861 N/A LEU 160.A N ARG 156.A O no hydrogen 2.938 N/A ARG 161.A N LEU 157.A O no hydrogen 2.998 N/A ARG 161.A NE PHE 188.A O no hydrogen 2.889 N/A ARG 161.A NH1 GLY 165.A O no hydrogen 2.961 N/A ARG 161.A NH1 SER 168.A O no hydrogen 2.898 N/A ARG 161.A NH2 PHE 188.A O no hydrogen 2.881 N/A ARG 161.A NH2 ASP 190.A OD2 no hydrogen 2.783 N/A GLU 162.A N SER 158.A O no hydrogen 3.011 N/A ILE 163.A N ARG 159.A O no hydrogen 2.959 N/A ILE 164.A N LEU 160.A O no hydrogen 2.996 N/A GLY 165.A N ARG 161.A O no hydrogen 2.896 N/A SER 168.A OG ILE 164.A O no hydrogen 2.827 N/A PHE 169.A N LYS 145.A O no hydrogen 2.845 N/A LEU 170.A N ASP 190.A OD2 no hydrogen 2.829 N/A ILE 171.A N TYR 147.A O no hydrogen 2.971 N/A SER 172.A N ALA 191.A O no hydrogen 3.052 N/A SER 172.A OG GLY 149.A O no hydrogen 2.783 N/A GLY 176.A N GLY 180.A O no hydrogen 3.039 N/A GLY 179.A N GLY 176.A O no hydrogen 2.944 N/A GLY 180.A N GLY 174.A O no hydrogen 2.780 N/A GLU 184.A N ASP 181.A OD2 no hydrogen 2.984 N/A THR 185.A N ASP 181.A O no hydrogen 3.031 N/A THR 185.A OG1 SER 151.A OG no hydrogen 2.737 N/A THR 185.A OG1 ASP 181.A O no hydrogen 2.713 N/A LEU 186.A N PRO 182.A O no hydrogen 3.074 N/A ARG 187.A N GLU 184.A O no hydrogen 3.199 N/A ARG 187.A NH2 GLU 184.A OE1 no hydrogen 2.437 N/A PHE 188.A N THR 185.A O no hydrogen 3.036 N/A ALA 189.A N THR 185.A O no hydrogen 2.926 N/A ASP 190.A N LEU 170.A O no hydrogen 2.813 N/A ALA 191.A N LEU 170.A O no hydrogen 3.388 N/A ILE 192.A N ARG 7.A O no hydrogen 2.942 N/A ILE 193.A N SER 172.A O no hydrogen 2.926 N/A VAL 194.A N ILE 9.A O no hydrogen 2.894 N/A ILE 198.A N GLY 195.A O no hydrogen 2.919 N/A TYR 199.A N GLY 195.A O no hydrogen 2.927 N/A LEU 200.A N ARG 196.A O no hydrogen 3.001 N/A ALA 201.A N ILE 198.A O no hydrogen 3.117 N/A ALA 206.A N ASN 203.A OD1 no hydrogen 3.229 N/A ALA 207.A N ASN 203.A O no hydrogen 2.970 N/A ALA 208.A N PRO 204.A O no hydrogen 2.878 N/A ALA 209.A N ALA 205.A O no hydrogen 2.932 N/A GLY 210.A N ALA 206.A O no hydrogen 2.913 N/A ILE 211.A N ALA 207.A O no hydrogen 3.101 N/A ILE 212.A N ALA 208.A O no hydrogen 3.023 N/A GLU 213.A N ALA 209.A O no hydrogen 2.857 N/A SER 214.A N GLY 210.A O no hydrogen 3.141 N/A SER 214.A OG ILE 211.A O no hydrogen 3.019 N/A ILE 215.A N ILE 212.A O no hydrogen 3.160 N/A LYS 216.A N GLU 213.A O no hydrogen 3.251 N/A