Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1dit_H.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N ASN 143.A O no hydrogen 2.836 N/A ILE 1.A N ASP 196.A OD2 no hydrogen 2.560 N/A VAL 2.A N ASP 191.A O no hydrogen 2.976 N/A SER 5.A N VAL 154.A O no hydrogen 3.167 N/A ALA 7.A N LEU 152.A O no hydrogen 2.811 N/A MET 11.A N GLU 8.A O no hydrogen 3.290 N/A GLN 15.A N SER 12.A O no hydrogen 3.199 N/A GLN 15.A NE2 VAL 16.A O no hydrogen 3.483 N/A VAL 16.A N ALA 30.A O no hydrogen 3.019 N/A MET 17.A N ARG 62.A O no hydrogen 2.825 N/A LEU 18.A N CYS 28.A O no hydrogen 2.721 N/A PHE 19.A N LEU 60.A O no hydrogen 2.879 N/A ARG 20.A N GLU 25.A O no hydrogen 2.876 N/A ARG 20.A NH1 GLU 25.A OE2 no hydrogen 2.822 N/A LYS 21.A N ASP 58.A O no hydrogen 3.448 N/A GLN 24.A NE2 LYS 21.A O no hydrogen 3.257 N/A LEU 27.A N LEU 18.A O no hydrogen 2.898 N/A CYS 28.A SG LEU 27.A O no hydrogen 3.165 N/A GLY 29.A N SER 197.A O no hydrogen 2.871 N/A SER 31.A N LEU 39.A O no hydrogen 3.064 N/A SER 31.A OG GLN 213.A OE1 no hydrogen 2.559 N/A LEU 32.A N TRP 14.A O no hydrogen 2.638 N/A ILE 33.A N TRP 37.A O no hydrogen 3.013 N/A ARG 36.A NH2 LEU 105.A O no hydrogen 2.376 N/A VAL 38.A N MET 103.A O no hydrogen 2.797 N/A LEU 39.A N SER 31.A O no hydrogen 2.922 N/A THR 40.A N ALA 101.A O no hydrogen 2.815 N/A THR 40.A OG1 GLY 29.A O no hydrogen 3.040 N/A HIS 43.A N ASP 99.A OD1 no hydrogen 2.949 N/A HIS 43.A ND1 ASP 99.A OD2 no hydrogen 2.709 N/A HIS 43.A NE2 SER 197.A OG no hydrogen 2.908 N/A CYS 44.A N ALA 41.A O no hydrogen 3.137 N/A LEU 45.A N ALA 42.A O no hydrogen 3.039 N/A LEU 46.A N ALA 42.A O no hydrogen 3.070 N/A ASP 58.A N THR 55I.A O no hydrogen 2.915 N/A LEU 59.A N GLU 56.A O no hydrogen 3.485 N/A LEU 60.A N PHE 19.A O no hydrogen 2.933 N/A VAL 61.A N SER 79.A O no hydrogen 2.902 N/A ARG 62.A N MET 17.A O no hydrogen 3.141 N/A ARG 62.A NH1 ARG 70.A O no hydrogen 3.417 N/A ARG 62.A NH1 GLU 76.A OE1 no hydrogen 3.197 N/A ARG 62.A NH1 GLU 76.A OE2 no hydrogen 2.606 N/A ILE 63.A N LYS 77.A O no hydrogen 2.698 N/A LYS 65.A NZ ARG 70.A O no hydrogen 2.622 N/A LYS 65.A NZ GLU 72.A OE1 no hydrogen 2.641 N/A LYS 65.A NZ GLU 76.A OE2 no hydrogen 2.369 N/A HIS 66.A N GLU 72.A OE1 no hydrogen 2.944 N/A SER 67.A N GLU 72.A OE1 no hydrogen 3.276 N/A SER 67.A N GLU 72.A OE2 no hydrogen 2.720 N/A ARG 68.A N SER 150.A O no hydrogen 2.911 N/A ARG 68.A NE PRO 149.A O no hydrogen 2.618 N/A ARG 68.A NH2 PRO 149.A O no hydrogen 3.522 N/A ARG 70.A N SER 67.A OG no hydrogen 2.973 N/A GLU 72.A N GLU 76.A OE2 no hydrogen 2.885 N/A ASN 74.A ND2 ARG 73A.A O no hydrogen 3.296 N/A ILE 75.A N GLU 72.A O no hydrogen 2.733 N/A GLU 76.A N GLU 72.A O no hydrogen 2.991 N/A LYS 77.A N ILE 63.A O no hydrogen 2.670 N/A SER 79.A N VAL 61.A O no hydrogen 2.558 N/A GLU 82.A N LYS 104.A O no hydrogen 2.578 N/A LYS 83.A N LYS 104.A O no hydrogen 3.434 N/A ILE 84.A N GLU 56.A OE2 no hydrogen 3.050 N/A TYR 85.A N LEU 102.A O no hydrogen 2.641 N/A HIS 87.A N ILE 100.A O no hydrogen 3.147 N/A ARG 89.A N HIS 87.A ND1 no hydrogen 3.302 N/A TYR 90.A N HIS 87.A O no hydrogen 3.112 N/A TYR 90.A OH LEU 46.A O no hydrogen 2.650 N/A ASN 91.A N ASP 97.A O no hydrogen 2.626 N/A ASN 91.A ND2 GLU 94A.A OE1 no hydrogen 3.243 N/A ASN 95.A ND2 ARG 172.A O no hydrogen 2.768 N/A LEU 96.A N ASN 91.A O no hydrogen 2.628 N/A ASP 97.A N ASN 95.A OD1 no hydrogen 3.235 N/A ASP 99.A N LEU 96.A O no hydrogen 3.363 N/A ALA 101.A N THR 40.A O no hydrogen 2.903 N/A LEU 102.A N TYR 85.A O no hydrogen 2.752 N/A MET 103.A N VAL 38.A O no hydrogen 2.779 N/A LYS 104.A N LYS 83.A O no hydrogen 2.970 N/A LYS 104.A NZ GLU 82.A OE1 no hydrogen 3.434 N/A LYS 104.A NZ GLU 82.A OE2 no hydrogen 3.398 N/A LYS 104.A NZ PHE 249.A O no hydrogen 3.539 N/A LEU 105.A N ARG 36.A O no hydrogen 2.767 N/A LYS 106.A N MET 80.A O no hydrogen 2.681 N/A VAL 109.A N ASP 35.A O no hydrogen 2.659 N/A SER 112.A N ILE 115.A O no hydrogen 2.817 N/A TYR 114.A N SER 112.A OG no hydrogen 3.339 N/A ILE 115.A N SER 112.A O no hydrogen 3.274 N/A HIS 116.A N PRO 13.A O no hydrogen 2.977 N/A VAL 118.A N LEU 32.A O no hydrogen 3.133 N/A CYS 119.A N TRP 211.A O no hydrogen 3.186 N/A CYS 119.A SG TRP 211.A O no hydrogen 3.577 N/A THR 125.A N ASP 122.A OD2 no hydrogen 2.714 N/A THR 125.A OG1 ASP 122.A OD1 no hydrogen 2.436 N/A THR 125.A OG1 ASP 122.A OD2 no hydrogen 3.348 N/A ALA 126.A N ASP 122.A O no hydrogen 2.956 N/A LEU 130.A N ALA 126.A O no hydrogen 2.785 N/A GLN 131.A NE2 SER 128B.A O no hydrogen 3.020 N/A GLY 133.A N ILE 159.A O no hydrogen 2.966 N/A TYR 134.A N GLN 131.A O no hydrogen 2.849 N/A LYS 135.A NZ TYR 182A.A OH no hydrogen 3.460 N/A GLY 136.A N LEU 157.A O no hydrogen 2.826 N/A ARG 137.A N VAL 202.A O no hydrogen 2.807 N/A ARG 137.A NE ASN 156.A OD1 no hydrogen 3.046 N/A VAL 138.A N VAL 155.A O no hydrogen 2.784 N/A THR 139.A OG1 GLN 15.A OE1 no hydrogen 2.390 N/A GLY 140.A N GLN 153.A O no hydrogen 3.000 N/A TRP 141.A NE1 HIS 66.A O no hydrogen 3.131 N/A GLY 142.A N ASP 196.A OD1 no hydrogen 2.940 N/A ASN 143.A N GLU 194.A O no hydrogen 2.946 N/A LEU 144.A N GLY 147.A O no hydrogen 2.866 N/A LEU 152.A N HIS 66.A O no hydrogen 2.834 N/A GLN 153.A N GLY 140.A O no hydrogen 3.143 N/A VAL 154.A N SER 5.A O no hydrogen 2.949 N/A VAL 155.A N VAL 138.A O no hydrogen 2.968 N/A LEU 157.A N GLY 136.A O no hydrogen 3.004 N/A ILE 159.A N TYR 134.A O no hydrogen 2.848 N/A VAL 160.A N CYS 179.A O no hydrogen 2.988 N/A CYS 165.A N GLU 161.A O no hydrogen 3.185 N/A CYS 165.A SG VAL 160.A O no hydrogen 3.605 N/A CYS 165.A SG GLU 161.A O no hydrogen 3.550 N/A LYS 166.A N ARG 162.A O no hydrogen 2.907 N/A ASP 167.A N PRO 163.A O no hydrogen 3.004 N/A SER 168.A N CYS 165.A O no hydrogen 3.345 N/A SER 168.A OG CYS 165.A O no hydrogen 2.694 N/A THR 169.A N LYS 166.A O no hydrogen 3.341 N/A THR 169.A OG1 GLU 221.A OE1 no hydrogen 3.508 N/A ILE 171.A N THR 169.A OG1 no hydrogen 3.013 N/A ARG 172.A NE GLU 94A.A OE2 no hydrogen 2.606 N/A ARG 172.A NH2 GLU 94A.A OE2 no hydrogen 2.994 N/A THR 174.A OG1 ASP 97.A OD1 no hydrogen 2.594 N/A ASN 176.A N THR 174.A OG1 no hydrogen 3.234 N/A ASN 176.A ND2 ASP 97.A OD1 no hydrogen 3.206 N/A PHE 178.A N TYR 232.A O no hydrogen 3.036 N/A ALA 180.A N GLY 230.A O no hydrogen 3.190 N/A GLY 181.A N PRO 158.A O no hydrogen 3.159 N/A LYS 183.A N GLU 186B.A OE1 no hydrogen 2.631 N/A LYS 183.A NZ GLU 161.A OE2 no hydrogen 2.721 N/A ARG 189.A NE ASP 224.A OD1 no hydrogen 3.360 N/A ARG 189.A NE ASP 224.A OD2 no hydrogen 2.652 N/A ARG 189.A NH1 ASP 226.A OD1 no hydrogen 2.938 N/A ARG 189.A NH2 ASP 224.A O no hydrogen 2.452 N/A ARG 189.A NH2 ASP 226.A OD1 no hydrogen 2.434 N/A GLY 190.A N ASP 224.A OD1 no hydrogen 3.052 N/A ASP 191.A N VAL 2.A O no hydrogen 3.229 N/A ALA 192.A N ASP 191.A OD1 no hydrogen 2.882 N/A CYS 193.A N ASP 196.A OD2 no hydrogen 2.990 N/A CYS 193.A SG LYS 145.A O no hydrogen 3.984 N/A ASP 196.A N CYS 193.A O no hydrogen 3.046 N/A SER 197.A OG HIS 43.A NE2 no hydrogen 2.908 N/A GLY 198.A N VAL 217.A O no hydrogen 2.994 N/A GLY 199.A N ASP 196.A O no hydrogen 3.038 N/A PHE 201.A N GLY 215.A O no hydrogen 2.699 N/A VAL 202.A N ARG 137.A O no hydrogen 2.875 N/A MET 203.A N TYR 212.A O no hydrogen 2.928 N/A SER 205.A N ARG 210.A O no hydrogen 2.746 N/A TYR 212.A N MET 203.A O no hydrogen 2.856 N/A TYR 212.A OH ASN 208B.A OD1 no hydrogen 3.140 N/A GLN 213.A N CYS 119.A O no hydrogen 2.833 N/A GLN 213.A NE2 GLY 215.A O no hydrogen 3.164 N/A MET 214.A N PHE 201.A O no hydrogen 2.911 N/A GLY 215.A N PHE 201.A O no hydrogen 3.320 N/A ILE 216.A N THR 233.A O no hydrogen 3.111 N/A VAL 217.A N GLY 199.A O no hydrogen 3.012 N/A SER 218.A N PHE 231.A O no hydrogen 2.908 N/A SER 218.A OG ASP 99.A OD2 no hydrogen 2.696 N/A TRP 219.A N PHE 231.A O no hydrogen 3.167 N/A CYS 223.A SG GLU 194.A OE2 no hydrogen 3.700 N/A ASP 224.A N ASP 191.A OD2 no hydrogen 3.028 N/A LYS 228.A N ARG 225A.A O no hydrogen 3.139 N/A LYS 228.A NZ SER 168.A O no hydrogen 2.830 N/A LYS 228.A NZ GLU 221.A OE2 no hydrogen 2.595 N/A GLY 230.A N ALA 180.A O no hydrogen 3.235 N/A PHE 231.A N TRP 219.A O no hydrogen 2.899 N/A TYR 232.A N PHE 178.A O no hydrogen 3.069 N/A THR 233.A N ILE 216.A O no hydrogen 2.890 N/A THR 233.A OG1 ASP 99.A O no hydrogen 2.854 N/A HIS 234.A N ASN 176.A O no hydrogen 2.999 N/A VAL 235.A N MET 214.A O no hydrogen 2.879 N/A ARG 237.A N HIS 234.A ND1 no hydrogen 3.124 N/A ARG 237.A NE ASN 176.A OD1 no hydrogen 3.304 N/A ARG 237.A NH2 ASN 176.A OD1 no hydrogen 3.428 N/A LEU 238.A N VAL 235.A O no hydrogen 3.137 N/A LYS 239.A N PHE 236.A O no hydrogen 3.281 N/A LYS 239.A NZ PRO 121.A O no hydrogen 2.667 N/A LYS 240.A NZ PHE 236.A O no hydrogen 2.767 N/A ILE 242.A N LEU 238.A O no hydrogen 3.139 N/A GLN 243.A N LYS 239.A O no hydrogen 2.775 N/A LYS 244.A N LYS 240.A O no hydrogen 2.898 N/A VAL 245.A N TRP 241.A O no hydrogen 2.929 N/A ILE 246.A N ILE 242.A O no hydrogen 3.064 N/A ASP 247.A N GLN 243.A O no hydrogen 2.739 N/A GLN 248.A N LYS 244.A O no hydrogen 2.928 N/A PHE 249.A N VAL 245.A O no hydrogen 2.829 N/A GLY 250.A N ILE 246.A O no hydrogen 2.489 N/A TYR 47A.A N LYS 52F.A O no hydrogen 2.772 N/A ARG 73A.A N TYR 71.A O no hydrogen 2.959 N/A GLU 94A.A N ASN 91.A OD1 no hydrogen 3.112 N/A ALA 127A.A N ARG 123.A O no hydrogen 3.020 N/A TYR 182A.A OH ASN 156.A O no hydrogen 3.384 N/A PHE 207A.A N SER 205.A OG no hydrogen 3.136 N/A ARG 225A.A NE GLU 146.A OE1 no hydrogen 2.732 N/A ARG 225A.A NE GLU 146.A OE2 no hydrogen 3.215 N/A ARG 225A.A NH2 GLU 146.A OE2 no hydrogen 3.010 N/A SER 128B.A N GLU 124.A O no hydrogen 3.075 N/A SER 128B.A OG GLU 124.A O no hydrogen 3.060 N/A SER 128B.A OG THR 125.A O no hydrogen 3.502 N/A GLU 186B.A N LYS 183.A O no hydrogen 2.980 N/A ASN 208B.A N SER 205.A OG no hydrogen 3.238 N/A LEU 129C.A N THR 125.A O no hydrogen 3.193 N/A LEU 129C.A N ALA 126.A O no hydrogen 3.209 N/A TRP 50D.A N TYR 47A.A O no hydrogen 2.909 N/A ASP 51E.A N PRO 48B.A O no hydrogen 2.737 N/A LYS 52F.A N TYR 47A.A O no hydrogen 3.208 N/A LYS 52F.A NZ HIS 43.A O no hydrogen 3.463 N/A PHE 54H.A N LEU 45.A O no hydrogen 2.816 N/A THR 55I.A N ASP 58.A OD2 no hydrogen 2.676 N/A THR 55I.A OG1 ASP 58.A OD2 no hydrogen 3.040 N/A