Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mu1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N LEU 134.A O no hydrogen 2.922 N/A VAL 1.A N ASP 187.A OD1 no hydrogen 3.375 N/A VAL 1.A N ASP 187.A OD2 no hydrogen 2.634 N/A VAL 2.A N SER 182.A O.A no hydrogen 2.944 N/A VAL 2.A N SER 182.A O.B no hydrogen 2.800 N/A THR 5.A N GLN 147.A O no hydrogen 2.814 N/A ALA 7.A N LEU 145.A O no hydrogen 2.957 N/A GLN 8.A NE2.A ASN 10.A OD1 no hydrogen 2.983 N/A SER 11.A N GLN 8.A O no hydrogen 3.151 N/A TRP 12.A NE1 GLN 147.A OE1 no hydrogen 2.862 N/A GLN 15.A N TRP 12.A O no hydrogen 3.164 N/A GLN 15.A NE2 ILE 16.A O no hydrogen 2.995 N/A ILE 16.A N GLY 32.A O no hydrogen 3.020 N/A SER 17.A N VAL 56.A O no hydrogen 3.042 N/A SER 17.A OG HIS 28.A ND1 no hydrogen 2.822 N/A LEU 18.A N CYS 30.A O.A no hydrogen 2.854 N/A LEU 18.A N CYS 30.A O.B no hydrogen 2.835 N/A GLN 19.A N ARG 54A.A O no hydrogen 2.900 N/A GLN 19.A NE2 SER 17.A OG no hydrogen 2.923 N/A TYR 20.A N ALA 27.A O no hydrogen 2.869 N/A ARG 21.A N THR 52.A O no hydrogen 3.077 N/A ARG 21.A NH2.A THR 52.A OG1 no hydrogen 3.335 N/A SER 25.A N SER 22A.A O no hydrogen 2.988 N/A SER 25.A OG.A TRP 26.A O no hydrogen 3.236 N/A ALA 27.A N TYR 20.A O no hydrogen 2.880 N/A HIS 28.A ND1 SER 17.A OG no hydrogen 2.822 N/A HIS 28.A NE2 GLY 186.A O no hydrogen 2.930 N/A THR 29.A N LEU 18.A O no hydrogen 2.876 N/A CYS 30.A N.A LEU 18.A O no hydrogen 3.281 N/A CYS 30.A N.B LEU 18.A O no hydrogen 3.315 N/A CYS 30.A SG.A THR 29.A O no hydrogen 3.237 N/A CYS 30.A SG.B GLY 31.A O no hydrogen 3.713 N/A GLY 31.A N SER 188.A O no hydrogen 2.839 N/A THR 33.A N MET 41.A O no hydrogen 2.942 N/A LEU 34.A N SER 14.A O no hydrogen 2.871 N/A ILE 35.A N TRP 39.A O no hydrogen 2.930 N/A ARG 36.A N TRP 39.A O no hydrogen 3.185 N/A ARG 36.A NH1 ILE 35.A O no hydrogen 2.854 N/A GLN 37.A NE2 VAL 103.A O no hydrogen 2.762 N/A TRP 39.A N ARG 36.A O no hydrogen 3.162 N/A VAL 40.A N LEU 97.A O no hydrogen 2.921 N/A MET 41.A N THR 33.A O no hydrogen 2.827 N/A THR 42.A N ALA 95.A O no hydrogen 2.939 N/A THR 42.A OG1 GLY 31.A O no hydrogen 2.832 N/A ALA 43.A N THR 42.A OG1 no hydrogen 2.801 N/A HIS 45.A N ASP 93.A OD2 no hydrogen 2.796 N/A HIS 45.A ND1 ASP 93.A OD1 no hydrogen 2.671 N/A HIS 45.A NE2 SER 188.A OG no hydrogen 2.967 N/A CYS 46.A N ALA 43.A O no hydrogen 3.165 N/A CYS 46.A SG.C ALA 43.A O no hydrogen 3.814 N/A VAL 47.A N ALA 44.A O no hydrogen 3.108 N/A LEU 51.A N ARG 49.A O no hydrogen 2.898 N/A VAL 55.A N VAL 72.A O.A no hydrogen 2.871 N/A VAL 55.A N VAL 72.A O.B no hydrogen 2.864 N/A VAL 56.A N SER 17.A O no hydrogen 2.846 N/A VAL 57.A N GLN 70.A O no hydrogen 2.994 N/A HIS 60.A N GLU 59.A OE2 no hydrogen 2.976 N/A HIS 60.A N ASN 66.A OD1 no hydrogen 3.092 N/A HIS 60.A NE2 GLU 6.A OE1.A no hydrogen 3.024 N/A ASN 61.A N ASN 66.A OD1 no hydrogen 2.897 N/A LEU 62.A N GLN 143.A O.A no hydrogen 2.811 N/A LEU 62.A N GLN 143.A O.B no hydrogen 2.787 N/A ASN 63.A N.A ASN 61.A OD1 no hydrogen 2.898 N/A ASN 63.A N.B ASN 61.A OD1 no hydrogen 2.984 N/A ASN 66.A N GLU 69.A OE2 no hydrogen 2.879 N/A GLY 67.A N ASN 65.A OD1 no hydrogen 2.955 N/A THR 68.A N GLU 69.A OE1 no hydrogen 3.184 N/A THR 68.A OG1 GLY 58.A O no hydrogen 2.746 N/A GLU 69.A N GLU 69.A OE1 no hydrogen 2.722 N/A GLN 70.A N VAL 57.A O no hydrogen 3.032 N/A GLN 70.A NE2 THR 104.A O no hydrogen 2.722 N/A VAL 72.A N.A VAL 55.A O no hydrogen 2.977 N/A VAL 72.A N.B VAL 55.A O no hydrogen 2.972 N/A GLN 75.A N ARG 98.A O no hydrogen 2.747 N/A LYS 76.A N ARG 98.A O no hydrogen 3.327 N/A LYS 76.A NZ ASN 240.A OD1 no hydrogen 2.960 N/A VAL 78.A N LEU 96.A O no hydrogen 2.810 N/A HIS 80.A N ILE 94.A O no hydrogen 3.123 N/A TYR 82.A N.A HIS 80.A ND1 no hydrogen 2.981 N/A TYR 82.A N.B HIS 80.A ND1 no hydrogen 2.966 N/A TRP 83.A N HIS 80.A O no hydrogen 2.960 N/A TRP 83.A NE1 ASP 48.A OD2 no hydrogen 3.055 N/A THR 85.A OG1.A ASP 48.A OD1 no hydrogen 2.770 N/A THR 85.A OG1.B ASP 86.A OD1.A no hydrogen 3.278 N/A ASP 86.A N.A ASN 84.A OD1 no hydrogen 3.369 N/A ASP 86.A N.B ASN 84.A OD1 no hydrogen 2.507 N/A ASP 87.A N.A ASN 84.A O no hydrogen 3.024 N/A ASP 87.A N.B ASN 84.A O no hydrogen 2.899 N/A GLY 91.A N VAL 88.A O no hydrogen 2.958 N/A ILE 94.A N TYR 92.A O.A no hydrogen 2.911 N/A ILE 94.A N TYR 92.A O.B no hydrogen 2.924 N/A ALA 95.A N THR 42.A O no hydrogen 2.931 N/A LEU 96.A N VAL 78.A O no hydrogen 2.854 N/A LEU 97.A N VAL 40.A O no hydrogen 2.745 N/A ARG 98.A N LYS 76.A O no hydrogen 2.895 N/A ARG 98.A NE GLN 75.A OE1 no hydrogen 2.896 N/A ARG 98.A NH1 ASN 240.A O no hydrogen 3.049 N/A ARG 98.A NH2 GLN 75.A OE1 no hydrogen 3.079 N/A LEU 99.A N ASN 38.A O no hydrogen 2.839 N/A ALA 100.A N GLY 73.A O no hydrogen 2.845 N/A VAL 103.A N GLN 37.A O no hydrogen 3.002 N/A THR 104.A N GLN 70.A OE1 no hydrogen 2.829 N/A ASN 106.A N VAL 109.A O no hydrogen 2.980 N/A TYR 108.A N ASN 106.A OD1 no hydrogen 2.711 N/A VAL 109.A N ASN 106.A O no hydrogen 3.191 N/A GLN 110.A N PRO 13.A O no hydrogen 3.068 N/A GLN 110.A NE2 ASN 106.A O no hydrogen 2.810 N/A GLY 112.A N LEU 34.A O no hydrogen 2.695 N/A GLY 118.A N SER 227.A O no hydrogen 3.065 N/A THR 119.A N ARG 116.A O no hydrogen 3.198 N/A THR 119.A OG1 ARG 116.A O no hydrogen 2.773 N/A ASN 124.A N THR 152.A O no hydrogen 2.847 N/A SER 125.A N ALA 122.A O no hydrogen 3.235 N/A SER 125.A N THR 152.A OG1 no hydrogen 2.915 N/A SER 125.A OG ALA 122.A O no hydrogen 2.513 N/A CYS 127.A SG.A SER 125.A O no hydrogen 3.835 N/A TYR 128.A N HIS 193.A O no hydrogen 2.853 N/A ILE 129.A N ALA 148.A O no hydrogen 2.869 N/A THR 130.A OG1 GLN 15.A OE1 no hydrogen 2.633 N/A THR 130.A OG1 HIS 193.A NE2 no hydrogen 2.890 N/A GLY 131.A N GLN 146.A O no hydrogen 3.065 N/A TRP 132.A NE1 HIS 60.A O no hydrogen 2.977 N/A GLY 133.A N ASP 187.A OD1 no hydrogen 2.705 N/A LEU 134.A N GLN 185.A O.A no hydrogen 2.751 N/A LEU 134.A N GLN 185.A O.B no hydrogen 2.779 N/A THR 135.A N GLN 140.A O no hydrogen 3.157 N/A THR 137.A OG1 ASN 215.A OD1 no hydrogen 3.377 N/A GLY 139.A N ARG 136.A O no hydrogen 2.735 N/A ALA 142.A N TRP 132.A O no hydrogen 3.116 N/A ALA 142.A N GLY 133.A O no hydrogen 3.313 N/A GLN 143.A NE2.A ASN 63.A OD1.B no hydrogen 2.892 N/A THR 144.A OG1 GLU 6.A OE1.B no hydrogen 3.490 N/A LEU 145.A N HIS 60.A O no hydrogen 2.927 N/A GLN 146.A N GLY 131.A O no hydrogen 3.048 N/A GLN 146.A NE2 THR 144.A O no hydrogen 3.121 N/A GLN 147.A N THR 5.A O no hydrogen 2.779 N/A ALA 148.A N ILE 129.A O no hydrogen 2.917 N/A LEU 150.A N CYS 127.A O no hydrogen 2.859 N/A THR 152.A N SER 125.A O no hydrogen 2.954 N/A THR 152.A OG1 ALA 122.A O no hydrogen 2.842 N/A VAL 153.A N CYS 174.A O no hydrogen 2.907 N/A ASP 154.A N ASN 123.A OD1 no hydrogen 2.915 N/A ILE 157.A N ASP 154.A O no hydrogen 2.942 N/A ILE 157.A N ASP 154.A OD1 no hydrogen 3.034 N/A CYS 158.A N.A ASP 154.A O no hydrogen 2.841 N/A CYS 158.A N.B ASP 154.A O no hydrogen 2.888 N/A CYS 158.A SG.B VAL 153.A O no hydrogen 3.699 N/A CYS 158.A SG.B ASP 154.A O no hydrogen 3.462 N/A CYS 158.A SG.B TYR 155.A O no hydrogen 3.775 N/A SER 159.A N TYR 155.A O no hydrogen 2.845 N/A SER 159.A OG TYR 155.A O no hydrogen 2.653 N/A SER 160.A N ILE 157.A O no hydrogen 3.069 N/A SER 160.A OG ILE 157.A O no hydrogen 2.627 N/A TYR 163.A N SER 160.A O no hydrogen 3.075 N/A TRP 164.A N CYS 158.A O.A no hydrogen 2.829 N/A TRP 164.A N CYS 158.A O.B no hydrogen 2.862 N/A TRP 164.A NE1 PRO 220.A O no hydrogen 2.859 N/A GLY 165.A N SER 160.A O no hydrogen 3.003 N/A THR 167.A N.A TRP 164.A O no hydrogen 3.344 N/A THR 167.A N.B TRP 164.A O no hydrogen 2.821 N/A THR 167.A OG1.B TRP 164.A O no hydrogen 2.711 N/A VAL 168.A N.B GLY 165.A O no hydrogen 3.270 N/A LYS 169.A NZ SER 166.A O.A no hydrogen 2.819 N/A LYS 169.A NZ SER 166.A O.B no hydrogen 2.922 N/A LYS 169.A NZ THR 167.A O.A no hydrogen 2.828 N/A LYS 169.A NZ ALA 89A.A O no hydrogen 2.886 N/A MET 172.A N LYS 169.A O no hydrogen 3.076 N/A VAL 173.A N PHE 223.A O no hydrogen 2.803 N/A ALA 175.A N THR 221.A O no hydrogen 3.026 N/A GLY 176.A N PRO 151.A O.A no hydrogen 2.924 N/A GLY 176.A N PRO 151.A O.B no hydrogen 2.851 N/A VAL 180.A N ASP 178.A OD2 no hydrogen 2.741 N/A SER 182.A N.A VAL 2.A O no hydrogen 3.104 N/A SER 182.A N.B VAL 2.A O no hydrogen 3.094 N/A SER 182.A OG.A GLY 183.A O no hydrogen 2.921 N/A SER 182.A OG.B GLY 183.A O no hydrogen 2.828 N/A SER 182.A OG.B CYS 214.A O no hydrogen 2.600 N/A SER 182.A OG.B THR 221.A OG1 no hydrogen 3.075 N/A GLY 183.A N THR 221.A OG1 no hydrogen 2.971 N/A CYS 184.A N.A ASP 187.A OD2 no hydrogen 2.932 N/A CYS 184.A N.B ASP 187.A OD2 no hydrogen 2.966 N/A CYS 184.A SG.A ARG 136.A O no hydrogen 4.027 N/A CYS 184.A SG.A GLN 185.A OE1.A no hydrogen 3.600 N/A CYS 184.A SG.A GLN 185.A OE1.B no hydrogen 3.065 N/A CYS 184.A SG.B LEU 134.A O no hydrogen 3.148 N/A CYS 184.A SG.B SER 182.A O.A no hydrogen 3.875 N/A CYS 184.A SG.B SER 182.A O.B no hydrogen 3.403 N/A ASP 187.A N CYS 184.A O.A no hydrogen 2.969 N/A ASP 187.A N CYS 184.A O.B no hydrogen 3.107 N/A SER 188.A OG HIS 45.A NE2 no hydrogen 2.967 N/A GLY 189.A N THR 206.A O no hydrogen 2.864 N/A GLY 190.A N ASP 187.A O no hydrogen 3.022 N/A LEU 192.A N GLY 204.A O no hydrogen 2.955 N/A HIS 193.A N TYR 128.A O no hydrogen 2.838 N/A HIS 193.A NE2 THR 130.A OG1 no hydrogen 2.890 N/A CYS 194.A N ALA 201.A O no hydrogen 2.865 N/A LEU 195.A N PRO 126.A O no hydrogen 3.435 N/A VAL 196.A N GLN 199.A O.A no hydrogen 3.160 N/A VAL 196.A N GLN 199.A O.B no hydrogen 2.863 N/A GLN 199.A N.A VAL 196.A O no hydrogen 3.160 N/A GLN 199.A N.B VAL 196.A O no hydrogen 3.170 N/A GLN 199.A NE2.B GLY 198.A O no hydrogen 3.041 N/A ALA 201.A N CYS 194.A O no hydrogen 2.934 N/A VAL 202.A N VAL 113.A O.A no hydrogen 2.907 N/A VAL 202.A N VAL 113.A O.B no hydrogen 2.857 N/A HIS 203.A N LEU 192.A O no hydrogen 2.935 N/A VAL 205.A N THR 224.A O no hydrogen 3.036 N/A THR 206.A N GLY 190.A O no hydrogen 2.845 N/A THR 206.A OG1 GLY 190.A O no hydrogen 3.078 N/A SER 207.A N VAL 222.A O no hydrogen 2.870 N/A SER 207.A OG ASP 93.A OD1 no hydrogen 2.781 N/A PHE 208.A N VAL 222.A O no hydrogen 3.025 N/A SER 210.A OG.B GLY 213.A O no hydrogen 3.163 N/A LEU 212.A N.A SER 210.A OG.A no hydrogen 2.832 N/A LEU 212.A N.A SER 210.A OG.B no hydrogen 2.994 N/A LEU 212.A N.B SER 210.A OG.A no hydrogen 3.175 N/A GLY 213.A N SER 210.A O.B no hydrogen 2.889 N/A CYS 214.A N THR 137.A OG1 no hydrogen 3.046 N/A CYS 214.A SG.B GLY 183.A O no hydrogen 3.926 N/A CYS 214.A SG.B GLN 185.A OE1.A no hydrogen 3.552 N/A CYS 214.A SG.B GLN 185.A OE1.B no hydrogen 2.989 N/A ASN 215.A ND2 GLY 179.A O no hydrogen 2.985 N/A ARG 218.A N GLY 177.A O no hydrogen 3.101 N/A ARG 218.A NH1 SER 162B.A OG no hydrogen 3.375 N/A LYS 219.A N VAL 216A.A O no hydrogen 3.040 N/A LYS 219.A NZ TYR 163.A O no hydrogen 2.832 N/A VAL 222.A N PHE 208.A O no hydrogen 2.902 N/A PHE 223.A N VAL 173.A O no hydrogen 2.815 N/A THR 224.A N VAL 205.A O no hydrogen 2.767 N/A THR 224.A OG1 ASP 93.A O no hydrogen 2.857 N/A ARG 225.A N SER 171.A O no hydrogen 2.916 N/A ARG 225.A NE ASN 170.A O.A no hydrogen 3.045 N/A ARG 225.A NE ASN 170.A O.B no hydrogen 3.101 N/A ARG 225.A NH1 SER 227.A OG no hydrogen 2.974 N/A ARG 225.A NH2 ASN 170.A O.A no hydrogen 2.875 N/A ARG 225.A NH2 ASN 170.A O.B no hydrogen 3.023 N/A VAL 226.A N HIS 203.A O no hydrogen 2.990 N/A SER 227.A OG THR 119.A O no hydrogen 2.625 N/A ALA 228.A N ARG 225.A O no hydrogen 2.988 N/A TYR 229.A N VAL 226.A O no hydrogen 2.942 N/A ILE 233.A N TYR 229.A O no hydrogen 2.852 N/A ASN 234.A N ILE 230.A O no hydrogen 3.024 N/A ASN 235.A N SER 231.A O no hydrogen 2.935 N/A VAL 236.A N TRP 232.A O no hydrogen 2.939 N/A ILE 237.A N ILE 233.A O no hydrogen 3.059 N/A ALA 238.A N ASN 234.A O no hydrogen 2.857 N/A SER 239.A N.A ASN 235.A O no hydrogen 3.115 N/A SER 239.A N.A VAL 236.A O no hydrogen 3.241 N/A SER 239.A N.B ASN 235.A O no hydrogen 3.084 N/A SER 239.A N.B VAL 236.A O no hydrogen 3.243 N/A SER 239.A OG.A ASN 235.A O no hydrogen 2.910 N/A SER 239.A OG.A VAL 236.A O no hydrogen 3.154 N/A SER 239.A OG.B ASN 235.A O no hydrogen 3.105 N/A ASN 240.A N ILE 237.A O no hydrogen 3.349 N/A ASN 240.A ND2 VAL 236.A O no hydrogen 2.791 N/A SER 22A.A N SER 25.A O no hydrogen 2.721 N/A ARG 54A.A N GLN 19.A O no hydrogen 2.884 N/A ARG 54A.A NE GLN 19.A OE1 no hydrogen 2.988 N/A ARG 54A.A NH2 GLN 19.A OE1 no hydrogen 2.871 N/A ARG 181A.A N ASP 178.A OD2 no hydrogen 2.830 N/A ARG 181A.A NE ASP 178.A OD1 no hydrogen 3.277 N/A ALA 90B.A N ASP 87.A O.A no hydrogen 2.899 N/A ALA 90B.A N ASP 87.A O.B no hydrogen 2.966 N/A