Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mu5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N LEU 134.A O no hydrogen 2.955 N/A VAL 1.A N ASP 187.A OD1 no hydrogen 3.466 N/A VAL 1.A N ASP 187.A OD2 no hydrogen 2.682 N/A VAL 2.A N SER 182.A O.A no hydrogen 2.914 N/A VAL 2.A N SER 182.A O.B no hydrogen 2.862 N/A THR 5.A N GLN 147.A O no hydrogen 2.848 N/A ALA 7.A N LEU 145.A O no hydrogen 2.870 N/A GLN 8.A NE2.A ASN 10.A OD1 no hydrogen 2.783 N/A SER 11.A N GLN 8.A O no hydrogen 3.184 N/A TRP 12.A NE1 GLN 147.A OE1 no hydrogen 2.846 N/A GLN 15.A N TRP 12.A O no hydrogen 3.084 N/A GLN 15.A NE2 ILE 16.A O no hydrogen 2.952 N/A ILE 16.A N GLY 32.A O no hydrogen 2.984 N/A SER 17.A N VAL 56.A O no hydrogen 3.043 N/A SER 17.A OG HIS 28.A ND1 no hydrogen 2.806 N/A LEU 18.A N CYS 30.A O.A no hydrogen 2.862 N/A LEU 18.A N CYS 30.A O.B no hydrogen 2.809 N/A GLN 19.A N ARG 54A.A O no hydrogen 2.916 N/A GLN 19.A NE2 SER 17.A OG no hydrogen 2.959 N/A TYR 20.A N ALA 27.A O no hydrogen 2.890 N/A ARG 21.A N THR 52.A O no hydrogen 2.942 N/A SER 25.A N SER 22A.A O no hydrogen 2.881 N/A SER 25.A OG.A TRP 26.A O no hydrogen 3.282 N/A ALA 27.A N TYR 20.A O no hydrogen 2.862 N/A HIS 28.A ND1 SER 17.A OG no hydrogen 2.806 N/A HIS 28.A NE2 GLY 186.A O no hydrogen 2.935 N/A THR 29.A N LEU 18.A O no hydrogen 2.877 N/A CYS 30.A N.A LEU 18.A O no hydrogen 3.276 N/A CYS 30.A N.B LEU 18.A O no hydrogen 3.283 N/A CYS 30.A SG.A THR 29.A O no hydrogen 3.166 N/A CYS 30.A SG.B GLY 31.A O no hydrogen 3.691 N/A GLY 31.A N SER 188.A O no hydrogen 2.807 N/A GLY 32.A N ILE 16.A O no hydrogen 3.284 N/A THR 33.A N MET 41.A O no hydrogen 2.879 N/A LEU 34.A N SER 14.A O no hydrogen 2.915 N/A ILE 35.A N TRP 39.A O no hydrogen 2.942 N/A ARG 36.A N TRP 39.A O no hydrogen 3.242 N/A ARG 36.A NH1 ILE 35.A O no hydrogen 2.976 N/A GLN 37.A NE2 VAL 103.A O no hydrogen 2.807 N/A TRP 39.A N ARG 36.A O no hydrogen 3.199 N/A VAL 40.A N LEU 97.A O no hydrogen 2.901 N/A MET 41.A N THR 33.A O no hydrogen 2.824 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 2.800 N/A ALA 43.A N THR 42.A OG1 no hydrogen 2.840 N/A HIS 45.A N ASP 93.A OD2 no hydrogen 2.912 N/A HIS 45.A ND1 ASP 93.A OD1 no hydrogen 2.734 N/A CYS 46.A N ALA 43.A O no hydrogen 3.182 N/A CYS 46.A SG.C ALA 43.A O no hydrogen 3.980 N/A VAL 47.A N ALA 44.A O no hydrogen 3.058 N/A ASP 48.A N HIS 45.A O no hydrogen 3.491 N/A LEU 51.A N ARG 49.A O no hydrogen 2.899 N/A VAL 55.A N VAL 72.A O.A no hydrogen 2.825 N/A VAL 55.A N VAL 72.A O.B no hydrogen 2.863 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 2.997 N/A HIS 60.A N GLU 59.A OE2 no hydrogen 3.183 N/A HIS 60.A N ASN 66.A OD1 no hydrogen 3.089 N/A HIS 60.A NE2 GLU 6.A OE1.A no hydrogen 2.839 N/A HIS 60.A NE2 GLU 6.A OE2.B no hydrogen 3.174 N/A ASN 61.A N ASN 66.A OD1 no hydrogen 2.863 N/A LEU 62.A N GLN 143.A O.A no hydrogen 2.916 N/A LEU 62.A N GLN 143.A O.B no hydrogen 2.814 N/A ASN 63.A N.A ASN 61.A OD1 no hydrogen 2.895 N/A ASN 63.A N.B ASN 61.A OD1 no hydrogen 2.942 N/A GLN 64.A N ASN 61.A O no hydrogen 3.493 N/A ASN 66.A N GLU 69.A OE2 no hydrogen 2.829 N/A GLY 67.A N ASN 65.A OD1 no hydrogen 2.946 N/A THR 68.A N GLU 69.A OE1 no hydrogen 3.170 N/A THR 68.A OG1 GLY 58.A O no hydrogen 2.686 N/A GLU 69.A N GLU 69.A OE1 no hydrogen 2.761 N/A GLN 70.A N VAL 57.A O no hydrogen 2.963 N/A GLN 70.A NE2 THR 104.A O no hydrogen 2.863 N/A VAL 72.A N.A VAL 55.A O no hydrogen 2.953 N/A VAL 72.A N.B VAL 55.A O no hydrogen 2.954 N/A VAL 74.A N PHE 53.A O no hydrogen 3.353 N/A GLN 75.A N ARG 98.A O no hydrogen 2.824 N/A LYS 76.A N ARG 98.A O no hydrogen 3.346 N/A LYS 76.A NZ ASN 240.A OD1 no hydrogen 2.923 N/A VAL 78.A N LEU 96.A O no hydrogen 2.791 N/A HIS 80.A N ILE 94.A O no hydrogen 3.049 N/A TYR 82.A N.A HIS 80.A ND1 no hydrogen 2.978 N/A TYR 82.A N.B HIS 80.A ND1 no hydrogen 2.954 N/A TRP 83.A N HIS 80.A O no hydrogen 3.014 N/A TRP 83.A NE1 ASP 48.A OD2 no hydrogen 3.069 N/A THR 85.A OG1.A ASP 48.A OD1 no hydrogen 2.446 N/A THR 85.A OG1.B ASP 48.A OD1 no hydrogen 3.210 N/A ASP 86.A N.A ASN 84.A OD1 no hydrogen 3.291 N/A ASP 86.A N.B ASN 84.A OD1 no hydrogen 2.758 N/A ASP 87.A N.A ASN 84.A O no hydrogen 2.956 N/A ASP 87.A N.B ASN 84.A O no hydrogen 2.877 N/A GLY 91.A N VAL 88.A O no hydrogen 3.055 N/A TYR 92.A N.B TYR 229.A OH no hydrogen 3.285 N/A ILE 94.A N TYR 92.A O.A no hydrogen 2.905 N/A ILE 94.A N TYR 92.A O.B no hydrogen 2.901 N/A ALA 95.A N THR 42.A O no hydrogen 2.898 N/A LEU 96.A N VAL 78.A O no hydrogen 2.847 N/A LEU 97.A N VAL 40.A O no hydrogen 2.812 N/A ARG 98.A N LYS 76.A O no hydrogen 2.844 N/A ARG 98.A NE GLN 75.A OE1 no hydrogen 2.919 N/A ARG 98.A NH1 ASN 240.A O no hydrogen 2.837 N/A ARG 98.A NH2 GLN 75.A OE1 no hydrogen 3.136 N/A LEU 99.A N ASN 38.A O no hydrogen 2.823 N/A ALA 100.A N GLY 73.A O no hydrogen 2.886 N/A VAL 103.A N GLN 37.A O no hydrogen 2.969 N/A THR 104.A N GLN 70.A OE1 no hydrogen 2.981 N/A ASN 106.A N VAL 109.A O no hydrogen 2.944 N/A TYR 108.A N ASN 106.A OD1 no hydrogen 2.813 N/A VAL 109.A N ASN 106.A O no hydrogen 3.121 N/A GLN 110.A N PRO 13.A O no hydrogen 3.086 N/A GLN 110.A NE2 ASN 106.A O no hydrogen 2.878 N/A GLY 112.A N LEU 34.A O no hydrogen 2.725 N/A GLY 118.A N SER 227.A O no hydrogen 3.022 N/A THR 119.A N ARG 116.A O no hydrogen 3.154 N/A THR 119.A OG1 ARG 116.A O no hydrogen 2.794 N/A ASN 124.A N THR 152.A O no hydrogen 2.827 N/A SER 125.A N THR 152.A OG1 no hydrogen 2.987 N/A SER 125.A OG ALA 122.A O no hydrogen 2.566 N/A CYS 127.A SG.A SER 125.A O no hydrogen 3.740 N/A TYR 128.A N HIS 193.A O no hydrogen 2.815 N/A ILE 129.A N ALA 148.A O no hydrogen 2.932 N/A THR 130.A OG1 GLN 15.A OE1 no hydrogen 2.690 N/A THR 130.A OG1 HIS 193.A NE2 no hydrogen 2.878 N/A GLY 131.A N GLN 146.A O no hydrogen 2.982 N/A TRP 132.A NE1 HIS 60.A O no hydrogen 2.957 N/A GLY 133.A N ASP 187.A OD1 no hydrogen 2.799 N/A LEU 134.A N GLN 185.A O no hydrogen 2.815 N/A THR 135.A N GLN 140.A O no hydrogen 3.122 N/A THR 137.A OG1 ASN 215.A OD1 no hydrogen 3.397 N/A GLY 139.A N ARG 136.A O no hydrogen 2.855 N/A ALA 142.A N TRP 132.A O no hydrogen 3.035 N/A ALA 142.A N GLY 133.A O no hydrogen 3.370 N/A THR 144.A OG1 GLU 6.A OE1.B no hydrogen 3.431 N/A LEU 145.A N HIS 60.A O no hydrogen 2.997 N/A GLN 146.A N GLY 131.A O no hydrogen 3.013 N/A GLN 146.A NE2 THR 144.A O no hydrogen 3.110 N/A GLN 147.A N THR 5.A O no hydrogen 2.822 N/A ALA 148.A N ILE 129.A O no hydrogen 2.963 N/A LEU 150.A N CYS 127.A O no hydrogen 2.873 N/A THR 152.A N SER 125.A O no hydrogen 2.974 N/A THR 152.A OG1 ALA 122.A O no hydrogen 2.972 N/A VAL 153.A N CYS 174.A O no hydrogen 2.910 N/A ASP 154.A N ASN 123.A OD1 no hydrogen 2.881 N/A ILE 157.A N ASP 154.A O no hydrogen 3.101 N/A ILE 157.A N ASP 154.A OD1 no hydrogen 3.097 N/A CYS 158.A N.A ASP 154.A O no hydrogen 2.802 N/A CYS 158.A N.B ASP 154.A O no hydrogen 2.832 N/A CYS 158.A SG.B VAL 153.A O no hydrogen 3.720 N/A CYS 158.A SG.B ASP 154.A O no hydrogen 3.416 N/A CYS 158.A SG.B TYR 155.A O no hydrogen 3.874 N/A SER 159.A N TYR 155.A O no hydrogen 2.883 N/A SER 159.A OG TYR 155.A O no hydrogen 2.786 N/A SER 160.A N ILE 157.A O no hydrogen 3.024 N/A SER 160.A OG ILE 157.A O no hydrogen 2.676 N/A TYR 163.A N SER 160.A O no hydrogen 3.067 N/A TRP 164.A N CYS 158.A O.A no hydrogen 2.840 N/A TRP 164.A N CYS 158.A O.B no hydrogen 2.925 N/A TRP 164.A NE1 PRO 220.A O no hydrogen 2.892 N/A GLY 165.A N SER 160.A O no hydrogen 2.985 N/A THR 167.A N.A TRP 164.A O no hydrogen 3.218 N/A THR 167.A N.B TRP 164.A O no hydrogen 3.032 N/A THR 167.A OG1.B TRP 164.A O no hydrogen 2.894 N/A VAL 168.A N.A GLY 165.A O no hydrogen 3.451 N/A VAL 168.A N.B GLY 165.A O no hydrogen 3.417 N/A LYS 169.A NZ SER 166.A O.A no hydrogen 2.831 N/A LYS 169.A NZ SER 166.A O.B no hydrogen 2.878 N/A LYS 169.A NZ THR 167.A O.A no hydrogen 3.181 N/A LYS 169.A NZ THR 167.A O.B no hydrogen 3.114 N/A LYS 169.A NZ ALA 89A.A O no hydrogen 2.831 N/A MET 172.A N LYS 169.A O no hydrogen 3.045 N/A VAL 173.A N PHE 223.A O no hydrogen 2.795 N/A ALA 175.A N THR 221.A O no hydrogen 2.988 N/A GLY 176.A N PRO 151.A O.A no hydrogen 2.890 N/A GLY 176.A N PRO 151.A O.B no hydrogen 2.842 N/A VAL 180.A N ASP 178.A OD2 no hydrogen 2.742 N/A SER 182.A N.A VAL 2.A O no hydrogen 3.072 N/A SER 182.A N.B VAL 2.A O no hydrogen 3.087 N/A SER 182.A OG.A GLY 183.A O no hydrogen 2.908 N/A SER 182.A OG.B GLY 183.A O no hydrogen 2.621 N/A SER 182.A OG.B CYS 214.A O no hydrogen 2.730 N/A SER 182.A OG.B THR 221.A OG1 no hydrogen 3.207 N/A GLY 183.A N THR 221.A OG1 no hydrogen 2.970 N/A CYS 184.A N ASP 187.A OD2 no hydrogen 2.847 N/A CYS 184.A SG.A ARG 136.A O no hydrogen 3.970 N/A CYS 184.A SG.A GLN 185.A OE1 no hydrogen 3.391 N/A ASP 187.A N CYS 184.A O no hydrogen 2.984 N/A SER 188.A OG HIS 45.A NE2 no hydrogen 3.120 N/A GLY 189.A N THR 206.A O no hydrogen 2.838 N/A GLY 190.A N ASP 187.A O no hydrogen 3.032 N/A LEU 192.A N GLY 204.A O no hydrogen 2.923 N/A HIS 193.A N TYR 128.A O no hydrogen 2.860 N/A HIS 193.A NE2 THR 130.A OG1 no hydrogen 2.878 N/A CYS 194.A N ALA 201.A O no hydrogen 2.852 N/A LEU 195.A N PRO 126.A O no hydrogen 3.305 N/A VAL 196.A N GLN 199.A O.A no hydrogen 2.988 N/A VAL 196.A N GLN 199.A O.B no hydrogen 2.917 N/A GLN 199.A N.A VAL 196.A O no hydrogen 3.056 N/A GLN 199.A N.B VAL 196.A O no hydrogen 3.074 N/A ALA 201.A N CYS 194.A O no hydrogen 3.035 N/A VAL 202.A N VAL 113.A O.A no hydrogen 2.838 N/A VAL 202.A N VAL 113.A O.B no hydrogen 2.787 N/A HIS 203.A N LEU 192.A O no hydrogen 2.931 N/A GLY 204.A N LEU 192.A O no hydrogen 3.436 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 2.866 N/A THR 206.A OG1 GLY 190.A O no hydrogen 3.196 N/A SER 207.A N VAL 222.A O no hydrogen 2.846 N/A SER 207.A OG ASP 93.A OD1 no hydrogen 2.705 N/A PHE 208.A N VAL 222.A O no hydrogen 3.071 N/A SER 210.A OG.B GLY 213.A O no hydrogen 2.963 N/A LEU 212.A N.A SER 210.A OG.A no hydrogen 2.955 N/A LEU 212.A N.A SER 210.A OG.B no hydrogen 3.207 N/A LEU 212.A N.B SER 210.A OG.A no hydrogen 3.113 N/A GLY 213.A N SER 210.A O.A no hydrogen 3.155 N/A GLY 213.A N SER 210.A OG.B no hydrogen 3.287 N/A CYS 214.A N THR 137.A OG1 no hydrogen 2.981 N/A CYS 214.A SG.B GLY 183.A O no hydrogen 3.902 N/A CYS 214.A SG.B GLN 185.A OE1 no hydrogen 3.297 N/A ASN 215.A ND2 GLY 179.A O no hydrogen 2.949 N/A ARG 218.A N GLY 177.A O no hydrogen 3.008 N/A ARG 218.A NH1 SER 162B.A OG no hydrogen 3.008 N/A LYS 219.A N VAL 216A.A O no hydrogen 3.006 N/A LYS 219.A NZ TYR 163.A O no hydrogen 2.873 N/A LYS 219.A NZ SER 162B.A O no hydrogen 3.440 N/A VAL 222.A N PHE 208.A O no hydrogen 2.963 N/A PHE 223.A N VAL 173.A O no hydrogen 2.813 N/A THR 224.A N VAL 205.A O no hydrogen 2.778 N/A THR 224.A OG1 ASP 93.A O no hydrogen 2.788 N/A ARG 225.A N SER 171.A O no hydrogen 2.902 N/A ARG 225.A NE ASN 170.A O.A no hydrogen 3.010 N/A ARG 225.A NE ASN 170.A O.B no hydrogen 3.036 N/A ARG 225.A NH1 SER 227.A OG no hydrogen 2.871 N/A ARG 225.A NH2 ASN 170.A O.A no hydrogen 2.967 N/A ARG 225.A NH2 ASN 170.A O.B no hydrogen 3.017 N/A VAL 226.A N HIS 203.A O no hydrogen 3.017 N/A SER 227.A OG THR 119.A O no hydrogen 2.710 N/A ALA 228.A N ARG 225.A O no hydrogen 3.049 N/A TYR 229.A N VAL 226.A O no hydrogen 2.881 N/A ILE 233.A N TYR 229.A O no hydrogen 2.851 N/A ASN 234.A N ILE 230.A O no hydrogen 2.986 N/A ASN 235.A N SER 231.A O no hydrogen 2.894 N/A VAL 236.A N TRP 232.A O no hydrogen 2.980 N/A ILE 237.A N ILE 233.A O no hydrogen 3.070 N/A ALA 238.A N ASN 234.A O no hydrogen 2.956 N/A SER 239.A N.A ASN 235.A O no hydrogen 3.124 N/A SER 239.A N.A VAL 236.A O no hydrogen 3.181 N/A SER 239.A N.B ASN 235.A O no hydrogen 3.116 N/A SER 239.A N.B VAL 236.A O no hydrogen 3.191 N/A SER 239.A OG.A ASN 235.A O no hydrogen 2.781 N/A SER 239.A OG.A VAL 236.A O no hydrogen 3.266 N/A SER 239.A OG.B ASN 235.A O no hydrogen 3.080 N/A ASN 240.A N ILE 237.A O no hydrogen 3.310 N/A ASN 240.A ND2 VAL 236.A O no hydrogen 2.909 N/A SER 22A.A N SER 25.A O no hydrogen 2.808 N/A ARG 54A.A N GLN 19.A O no hydrogen 2.887 N/A ARG 54A.A NE GLN 19.A OE1 no hydrogen 2.907 N/A ARG 54A.A NH2 GLN 19.A OE1 no hydrogen 2.893 N/A ARG 181A.A N ASP 178.A OD2 no hydrogen 2.825 N/A ARG 181A.A NE ASP 178.A OD1 no hydrogen 3.316 N/A ALA 90B.A N ASP 87.A O.A no hydrogen 3.079 N/A ALA 90B.A N ASP 87.A O.B no hydrogen 3.022 N/A