Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rr6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N THR 169.A OG1 no hydrogen 2.937 N/A LEU 3.A N ILE 167.A O no hydrogen 2.831 N/A GLY 4.A N VAL 15.A O no hydrogen 2.964 N/A ARG 5.A NH1 ALA 49.A O no hydrogen 2.936 N/A ILE 6.A N ALA 13.A O no hydrogen 2.920 N/A ALA 7.A N ARG 46.A O no hydrogen 2.883 N/A SER 8.A N GLY 11.A O no hydrogen 2.829 N/A SER 8.A OG GLY 11.A O no hydrogen 2.721 N/A ASP 10.A N SER 8.A OG no hydrogen 3.064 N/A GLY 11.A N SER 8.A O no hydrogen 3.263 N/A ALA 13.A N ILE 6.A O no hydrogen 2.965 N/A VAL 15.A N GLY 4.A O no hydrogen 2.805 N/A SER 16.A N ARG 23.A O no hydrogen 2.901 N/A SER 16.A OG GLU 18.A OE2 no hydrogen 2.903 N/A ILE 17.A N ARG 2.A O no hydrogen 2.778 N/A GLU 18.A N ILE 21.A O no hydrogen 2.928 N/A ILE 21.A N GLU 18.A O no hydrogen 2.898 N/A ALA 22.A N TRP 40.A O no hydrogen 2.822 N/A ARG 23.A N SER 16.A O no hydrogen 2.839 N/A ARG 23.A NE GLU 18.A OE1 no hydrogen 3.367 N/A ARG 23.A NE GLU 18.A OE2 no hydrogen 3.206 N/A ARG 23.A NH2 GLU 18.A OE1 no hydrogen 3.275 N/A GLU 24.A N ARG 38.A O no hydrogen 3.006 N/A ILE 25.A N PHE 14.A O no hydrogen 2.863 N/A ALA 26.A N THR 34.A O no hydrogen 2.817 N/A GLU 27.A N THR 34.A OG1 no hydrogen 3.298 N/A GLY 31.A N HIS 28.A O no hydrogen 3.038 N/A THR 34.A N GLU 27.A O no hydrogen 3.089 N/A THR 34.A OG1 GLU 27.A O no hydrogen 3.569 N/A THR 36.A N GLU 24.A O no hydrogen 3.163 N/A THR 36.A OG1 GLU 24.A OE1 no hydrogen 2.580 N/A ARG 38.A N THR 36.A OG1 no hydrogen 3.210 N/A ARG 38.A NE GLU 24.A OE1 no hydrogen 2.864 N/A ARG 38.A NH1 GLU 24.A OE2 no hydrogen 2.838 N/A TRP 40.A N ALA 22.A O no hydrogen 3.018 N/A TRP 40.A NE1 ASP 10.A OD2 no hydrogen 2.953 N/A LEU 42.A N ALA 20.A O no hydrogen 2.857 N/A ASP 44.A N PRO 41.A O no hydrogen 2.932 N/A VAL 45.A N LEU 42.A O no hydrogen 3.249 N/A ARG 46.A N ALA 7.A O no hydrogen 3.122 N/A LEU 48.A N ARG 5.A O no hydrogen 2.854 N/A SER 54.A N ASP 216.A OD1 no hydrogen 3.244 N/A SER 54.A OG ASP 216.A OD1 no hydrogen 2.554 N/A LYS 55.A N ASP 216.A OD1 no hydrogen 3.261 N/A LYS 55.A NZ THR 211.A O no hydrogen 2.927 N/A LYS 55.A NZ ASP 216.A OD2 no hydrogen 2.773 N/A VAL 56.A N LYS 83.A O no hydrogen 3.326 N/A VAL 57.A N VAL 217.A O no hydrogen 2.851 N/A ALA 58.A N PHE 81.A O no hydrogen 2.828 N/A MET 59.A N LEU 219.A O no hydrogen 2.940 N/A GLY 60.A N VAL 79.A O no hydrogen 2.873 N/A ASN 62.A ND2 HIS 197.A O no hydrogen 3.009 N/A ASN 62.A ND2 THR 220.A O no hydrogen 2.921 N/A ALA 64.A N LEU 194.A O no hydrogen 2.823 N/A ALA 65.A N GLU 69.A OE1 no hydrogen 2.976 N/A ALA 68.A N HIS 66.A ND1 no hydrogen 3.058 N/A GLU 69.A N HIS 66.A O no hydrogen 2.869 N/A MET 70.A N ALA 67.A O no hydrogen 3.370 N/A PHE 81.A N ALA 58.A O no hydrogen 2.962 N/A LYS 83.A N VAL 56.A O no hydrogen 2.840 N/A LYS 83.A NZ ASP 138.A OD1 no hydrogen 2.744 N/A LYS 83.A NZ LYS 155.A O no hydrogen 2.787 N/A LYS 83.A NZ PHE 160.A O no hydrogen 2.864 N/A ASN 85.A ND2 ALA 53.A O no hydrogen 2.893 N/A SER 87.A N PRO 84.A O no hydrogen 2.967 N/A SER 87.A OG PRO 84.A O no hydrogen 2.726 N/A ILE 88.A N ASN 85.A O no hydrogen 3.273 N/A ILE 89.A N CYS 161.A O no hydrogen 3.214 N/A GLY 92.A N SER 246.A O no hydrogen 2.858 N/A ILE 95.A N PRO 248.A O no hydrogen 2.902 N/A GLN 96.A N THR 159.A OG1 no hydrogen 2.864 N/A LEU 97.A N VAL 250.A O no hydrogen 2.831 N/A ALA 101.A N PRO 98.A O no hydrogen 3.018 N/A THR 102.A N ASP 143.A OD2 no hydrogen 2.862 N/A GLU 103.A N ASP 143.A OD1 no hydrogen 3.088 N/A HIS 105.A N SER 140.A O no hydrogen 2.840 N/A HIS 106.A N GLY 227.A O no hydrogen 3.049 N/A GLU 107.A N ASN 137.A OD1 no hydrogen 2.978 N/A GLY 108.A N GLN 188.A OE1 no hydrogen 3.033 N/A GLU 109.A N GLY 136.A O no hydrogen 2.945 N/A ALA 111.A N THR 134.A O no hydrogen 2.878 N/A ILE 112.A N ILE 218.A O no hydrogen 2.814 N/A VAL 113.A N GLY 132.A O no hydrogen 2.928 N/A ILE 114.A N ASP 216.A O no hydrogen 2.865 N/A GLY 115.A N ASN 129.A O no hydrogen 2.779 N/A CYS 118.A N LEU 212.A O no hydrogen 2.966 N/A CYS 118.A SG ARG 116.A O no hydrogen 3.582 N/A ASP 120.A N SER 207.A O no hydrogen 2.871 N/A VAL 121.A N SER 207.A OG no hydrogen 2.998 N/A ALA 123.A N GLU 204.A OE1 no hydrogen 2.850 N/A ARG 125.A N PRO 122.A O no hydrogen 2.843 N/A ARG 125.A NH1 GLU 128.A OE2 no hydrogen 2.921 N/A ALA 126.A N ALA 123.A O no hydrogen 3.076 N/A ASN 129.A N ALA 126.A O no hydrogen 2.939 N/A ASN 129.A ND2 ARG 125.A O no hydrogen 2.962 N/A ILE 130.A N ALA 127.A O no hydrogen 3.157 N/A LEU 131.A N VAL 113.A O no hydrogen 2.803 N/A GLY 132.A N VAL 113.A O no hydrogen 3.469 N/A TYR 133.A N VAL 168.A O no hydrogen 3.041 N/A THR 134.A N ALA 111.A O no hydrogen 2.903 N/A THR 134.A OG1 TRP 166.A O no hydrogen 2.723 N/A ILE 135.A N GLY 164.A O no hydrogen 3.209 N/A GLY 136.A N GLU 109.A O no hydrogen 2.911 N/A ASN 137.A N PRO 162.A O no hydrogen 3.094 N/A ASP 138.A N GLU 107.A O no hydrogen 2.849 N/A VAL 139.A N ASN 137.A O no hydrogen 2.935 N/A VAL 139.A N PHE 160.A O no hydrogen 3.142 N/A SER 140.A N HIS 105.A O no hydrogen 3.112 N/A SER 140.A OG GLU 107.A OE2 no hydrogen 3.376 N/A SER 140.A OG ASP 138.A O no hydrogen 2.878 N/A ALA 141.A N ALA 154.A O no hydrogen 2.908 N/A ARG 142.A N GLU 103.A O no hydrogen 2.769 N/A ARG 142.A NH1 HIS 105.A ND1 no hydrogen 3.119 N/A HIS 144.A N ALA 141.A O no hydrogen 2.963 N/A HIS 144.A ND1 HIS 157.A NE2 no hydrogen 2.975 N/A HIS 144.A NE2 SER 100.A O no hydrogen 2.869 N/A GLN 145.A N ALA 141.A O no hydrogen 3.193 N/A ARG 146.A N ARG 142.A O no hydrogen 3.110 N/A ARG 146.A NH1 GLU 103.A OE2 no hydrogen 3.133 N/A ARG 146.A NH2 GLU 103.A OE2 no hydrogen 3.289 N/A ALA 147.A N ASP 143.A O no hydrogen 3.090 N/A ASP 148.A N HIS 144.A O no hydrogen 2.952 N/A GLY 149.A N GLN 145.A O no hydrogen 2.952 N/A ARG 153.A NE ASP 148.A OD2 no hydrogen 2.898 N/A ARG 153.A NH2 ASP 148.A OD1 no hydrogen 2.895 N/A ARG 153.A NH2 ASP 148.A OD2 no hydrogen 3.566 N/A LYS 155.A N TRP 151.A O no hydrogen 2.999 N/A LYS 155.A NZ ASP 138.A OD1 no hydrogen 3.472 N/A LYS 155.A NZ ASP 138.A OD2 no hydrogen 2.849 N/A LYS 155.A NZ SER 140.A OG no hydrogen 2.823 N/A GLY 156.A N ARG 153.A O no hydrogen 3.053 N/A HIS 157.A NE2 HIS 144.A ND1 no hydrogen 2.975 N/A THR 159.A OG1 ASP 158.A O no hydrogen 2.603 N/A PHE 160.A N HIS 157.A O no hydrogen 3.056 N/A CYS 161.A N SER 87.A O no hydrogen 2.848 N/A LEU 163.A N ILE 89.A O no hydrogen 2.879 N/A GLY 164.A N ILE 135.A O no hydrogen 3.039 N/A TRP 166.A NE1 ILE 242.A O no hydrogen 2.818 N/A ILE 167.A N LEU 3.A O no hydrogen 2.695 N/A VAL 168.A N TYR 133.A O no hydrogen 2.850 N/A THR 169.A N MET 1.A O no hydrogen 3.006 N/A THR 169.A OG1 MET 1.A O no hydrogen 3.409 N/A ALA 174.A N ASP 172.A OD1 no hydrogen 3.029 N/A LEU 176.A N THR 192.A OG1 no hydrogen 2.875 N/A GLU 177.A N GLU 240.A OE1 no hydrogen 2.896 N/A ILE 178.A N SER 190.A O no hydrogen 2.949 N/A ARG 179.A N THR 238.A O no hydrogen 2.900 N/A ARG 179.A NE GLU 181.A OE2 no hydrogen 2.852 N/A ARG 179.A NH1 GLU 177.A OE2 no hydrogen 3.451 N/A ARG 179.A NH2 GLU 181.A OE2 no hydrogen 3.536 N/A THR 180.A N GLN 188.A O no hydrogen 2.855 N/A THR 180.A OG1 GLN 188.A OE1 no hydrogen 2.821 N/A GLU 181.A N SER 236.A O no hydrogen 2.814 N/A VAL 182.A N GLN 185.A O no hydrogen 2.921 N/A ASN 183.A N THR 234.A O no hydrogen 2.918 N/A ASN 183.A ND2 ASP 233.A OD1 no hydrogen 2.961 N/A GLN 185.A N VAL 182.A O no hydrogen 2.963 N/A ARG 187.A N THR 180.A O no hydrogen 2.819 N/A ARG 187.A NH1.A PRO 228.A O no hydrogen 2.951 N/A ARG 187.A NH1.B GLN 185.A OE1 no hydrogen 2.996 N/A ARG 187.A NH2.A PRO 228.A O no hydrogen 3.566 N/A GLN 188.A N THR 180.A O no hydrogen 3.270 N/A GLN 188.A NE2 THR 222.A OG1 no hydrogen 2.929 N/A GLN 188.A NE2 PRO 223.A O no hydrogen 2.911 N/A GLN 188.A NE2 GLU 224.A O no hydrogen 3.452 N/A ARG 189.A NH1 GLU 177.A OE1 no hydrogen 3.050 N/A SER 190.A N ILE 178.A O no hydrogen 2.918 N/A ARG 191.A NE ASP 175.A OD1 no hydrogen 2.837 N/A ARG 191.A NH2 ASP 175.A O no hydrogen 2.935 N/A ARG 191.A NH2 GLU 240.A OE1 no hydrogen 2.943 N/A THR 192.A N LEU 176.A O no hydrogen 2.830 N/A THR 192.A OG1 PRO 173.A O no hydrogen 2.592 N/A SER 193.A OG ASP 175.A OD1 no hydrogen 2.660 N/A LEU 194.A N ARG 191.A O no hydrogen 2.957 N/A LEU 195.A N THR 192.A O no hydrogen 3.185 N/A LEU 196.A N ASN 62.A O no hydrogen 2.824 N/A HIS 197.A N ASN 62.A OD1 no hydrogen 2.905 N/A HIS 197.A NE2 GLU 76.A O no hydrogen 2.805 N/A ALA 201.A N ASP 198.A OD1 no hydrogen 3.005 N/A ILE 202.A N ASP 198.A O no hydrogen 2.884 N/A VAL 203.A N VAL 199.A O no hydrogen 2.952 N/A GLU 204.A N GLY 200.A O no hydrogen 2.913 N/A TRP 205.A N ALA 201.A O no hydrogen 2.962 N/A VAL 206.A N ILE 202.A O no hydrogen 2.928 N/A SER 207.A N VAL 203.A O no hydrogen 2.879 N/A SER 207.A OG VAL 203.A O no hydrogen 2.786 N/A ALA 208.A N GLU 204.A O no hydrogen 3.131 N/A ALA 208.A N TRP 205.A O no hydrogen 3.305 N/A VAL 209.A N VAL 206.A O no hydrogen 3.064 N/A MET 210.A N VAL 206.A O no hydrogen 2.995 N/A LEU 212.A N CYS 118.A O no hydrogen 2.909 N/A LEU 213.A N ASP 216.A OD2 no hydrogen 2.871 N/A GLY 215.A N ILE 114.A O no hydrogen 2.807 N/A ASP 216.A N LEU 213.A O no hydrogen 2.943 N/A VAL 217.A N LYS 55.A O no hydrogen 3.241 N/A ILE 218.A N ILE 112.A O no hydrogen 2.859 N/A LEU 219.A N VAL 57.A O no hydrogen 2.758 N/A THR 220.A N LEU 110.A O no hydrogen 2.992 N/A THR 220.A OG1 LEU 110.A O no hydrogen 2.792 N/A GLY 221.A N GLU 109.A OE1 no hydrogen 2.847 N/A THR 222.A N LYS 61.A O.A no hydrogen 2.927 N/A THR 222.A N LYS 61.A O.B no hydrogen 2.928 N/A THR 222.A OG1 GLY 108.A O no hydrogen 2.739 N/A ILE 229.A N VAL 104.A O no hydrogen 2.901 N/A VAL 230.A N ASP 233.A OD2 no hydrogen 2.896 N/A GLY 232.A N VAL 249.A O no hydrogen 2.873 N/A ASP 233.A N VAL 230.A O no hydrogen 2.988 N/A THR 234.A N ASN 183.A OD1 no hydrogen 2.911 N/A VAL 235.A N ASN 247.A O no hydrogen 2.975 N/A SER 236.A N GLU 181.A O no hydrogen 2.879 N/A VAL 237.A N LEU 245.A O no hydrogen 2.835 N/A THR 238.A N ARG 179.A O no hydrogen 2.809 N/A THR 238.A OG1 THR 244.A OG1 no hydrogen 2.804 N/A ILE 239.A N GLY 243.A O no hydrogen 3.025 N/A GLU 240.A N GLU 177.A O no hydrogen 2.878 N/A ILE 242.A N ILE 239.A O no hydrogen 2.972 N/A GLY 243.A N ILE 239.A O no hydrogen 3.136 N/A THR 244.A OG1 THR 238.A OG1 no hydrogen 2.804 N/A LEU 245.A N VAL 237.A O no hydrogen 2.825 N/A ASN 247.A N VAL 235.A O no hydrogen 2.933 N/A ASN 247.A ND2 GLY 90.A O no hydrogen 3.083 N/A ASN 247.A ND2 LEU 93.A O no hydrogen 2.864 N/A VAL 249.A N ASP 233.A O no hydrogen 2.854 N/A VAL 250.A N ILE 95.A O no hydrogen 2.941 N/A ARG 251.A N ASP 231.A OD1 no hydrogen 2.805 N/A ARG 251.A NH1 ALA 101.A O no hydrogen 2.883 N/A ARG 251.A NH2 PRO 98.A O no hydrogen 2.954 N/A ARG 251.A NH2 ALA 101.A O no hydrogen 3.239 N/A