Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s13_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 2.A N PHE 259.A O no hydrogen 3.223 N/A LYS 3.A NZ LEU 1.A O no hydrogen 3.170 N/A THR 4.A N GLU 2.A OE2 no hydrogen 2.834 N/A ASN 6.A N ALA 252.A O no hydrogen 2.977 N/A GLY 7.A N HIS 5.A ND1 no hydrogen 3.110 N/A LYS 8.A N ASN 6.A OD1 no hydrogen 3.330 N/A CYS 10.A N GLN 247.A OE1 no hydrogen 2.743 N/A CYS 10.A SG ASN 243.A O no hydrogen 3.917 N/A ASP 11.A N CYS 242.A O no hydrogen 3.232 N/A ASP 13.A N THR 244.A O no hydrogen 3.182 N/A GLY 14.A N ASN 243.A OD1 no hydrogen 2.786 N/A LEU 18.A N TYR 46.A O no hydrogen 2.968 N/A LEU 20.A N VAL 48.A O no hydrogen 3.117 N/A CYS 23.A N LEU 20.A O no hydrogen 2.927 N/A CYS 23.A SG MET 34.A O no hydrogen 3.514 N/A CYS 23.A SG ASN 55.A OD1 no hydrogen 3.843 N/A SER 24.A N ASN 55.A O no hydrogen 3.130 N/A SER 24.A OG ASP 56.A OD1 no hydrogen 2.608 N/A VAL 25.A N GLU 49.A OE2 no hydrogen 3.036 N/A ALA 26.A N TYR 66.A OH no hydrogen 2.988 N/A GLY 27.A N SER 24.A OG no hydrogen 3.040 N/A TRP 28.A N SER 24.A O no hydrogen 2.945 N/A LEU 29.A N VAL 25.A O no hydrogen 2.997 N/A LEU 30.A N ALA 26.A O no hydrogen 3.029 N/A GLY 31.A N GLY 27.A O no hydrogen 3.008 N/A ASN 32.A N GLY 27.A O no hydrogen 2.778 N/A ASN 32.A ND2 ASP 56.A O no hydrogen 3.257 N/A MET 34.A N ASN 32.A OD1 no hydrogen 2.920 N/A CYS 35.A N ASN 32.A O no hydrogen 2.794 N/A PHE 38.A N CYS 35.A O no hydrogen 2.943 N/A ILE 39.A N ASP 36.A O no hydrogen 3.086 N/A TRP 44.A N ASN 77.A O no hydrogen 2.850 N/A SER 45.A OG VAL 15.A O no hydrogen 2.975 N/A TYR 46.A OH CYS 10.A O no hydrogen 2.902 N/A ILE 47.A N ALA 231.A O no hydrogen 2.803 N/A VAL 48.A N LEU 18.A O no hydrogen 2.933 N/A GLU 49.A N MET 233.A O no hydrogen 2.961 N/A LYS 50.A NZ GLU 236.A O no hydrogen 3.414 N/A LYS 50.A NZ GLU 238.A OE1 no hydrogen 3.062 N/A ALA 51.A N GLU 236.A OE2 no hydrogen 3.001 N/A ASN 55.A N ASP 22.A O no hydrogen 2.872 N/A ASP 62.A N MET 194.A O no hydrogen 3.038 N/A ASN 64.A N PHE 196.A O no hydrogen 2.749 N/A LEU 69.A N ASP 65.A O no hydrogen 3.261 N/A LYS 70.A N TYR 66.A O no hydrogen 2.946 N/A HIS 71.A N GLU 67.A O no hydrogen 3.004 N/A LEU 72.A N GLU 68.A O no hydrogen 3.015 N/A LEU 73.A N LYS 70.A O no hydrogen 2.947 N/A SER 74.A N HIS 71.A O no hydrogen 3.392 N/A SER 74.A OG HIS 71.A O no hydrogen 3.219 N/A ARG 75.A NH1 SER 74.A OG no hydrogen 2.796 N/A ILE 76.A N LEU 73.A O no hydrogen 3.327 N/A ASN 77.A N LYS 226.A O no hydrogen 2.743 N/A ASN 77.A ND2 TRP 44.A O no hydrogen 3.000 N/A ASN 77.A ND2 ASP 229A.A O no hydrogen 3.336 N/A GLU 80.A N LYS 223.A O no hydrogen 2.810 N/A LYS 81.A NZ ILE 39.A O no hydrogen 3.090 N/A LYS 81.A NZ ASN 114.A OD1 no hydrogen 3.078 N/A LYS 81.A NZ TYR 222.A OH no hydrogen 3.549 N/A ILE 82.A N ALA 221.A O no hydrogen 2.990 N/A GLN 83.A NE2 GLU 219.A OE2 no hydrogen 2.976 N/A ILE 84.A N GLU 219.A O no hydrogen 2.742 N/A ILE 85.A N GLU 219.A O no hydrogen 3.385 N/A SER 89.A N PRO 86.A O no hydrogen 2.957 N/A SER 89.A OG PRO 86.A O no hydrogen 2.521 N/A SER 91.A OG SER 89.A O no hydrogen 3.549 N/A HIS 93.A NE2 PRO 126.A O no hydrogen 2.774 N/A GLU 94.A N ILE 119.A O no hydrogen 2.955 N/A SER 96.A N GLU 94.A OE2 no hydrogen 3.009 N/A SER 96.A OG GLU 94.A OE2 no hydrogen 2.829 N/A SER 100.A N SER 110.A O no hydrogen 2.825 N/A ALA 102.A N SER 100.A OG no hydrogen 3.004 N/A CYS 103.A N SER 100.A O no hydrogen 2.976 N/A TYR 105.A N LYS 108.A O no hydrogen 2.764 N/A LYS 108.A N TYR 105.A O no hydrogen 2.779 N/A SER 110.A N CYS 103.A O no hydrogen 2.770 N/A ARG 113.A N GLY 31.A O no hydrogen 2.621 N/A ARG 113.A NH1 ASP 36.A OD1 no hydrogen 3.055 N/A ASN 114.A N LEU 30.A O no hydrogen 3.121 N/A ASN 114.A ND2 LEU 29.A O no hydrogen 2.800 N/A VAL 116.A N ALA 217.A O no hydrogen 2.600 N/A TRP 117.A NE1 TYR 159.A OH no hydrogen 2.907 N/A ILE 119.A N GLU 94.A O no hydrogen 3.006 N/A LYS 120.A N LEU 158.A O no hydrogen 2.918 N/A LYS 120.A NZ THR 156.A O no hydrogen 3.372 N/A LYS 120.A NZ LYS 157.A O no hydrogen 2.827 N/A LYS 121.A N ALA 124.A O no hydrogen 2.884 N/A LYS 121.A NZ SER 91.A O no hydrogen 2.867 N/A ALA 124.A N LYS 121.A O no hydrogen 3.042 N/A ILE 128.A N SER 211.A O no hydrogen 2.706 N/A ARG 130.A N PHE 209.A O no hydrogen 3.061 N/A SER 131.A OG ASN 208.A OD1 no hydrogen 2.849 N/A TYR 132.A N ILE 207.A O no hydrogen 3.077 N/A ASN 134.A N ASP 205.A O no hydrogen 2.830 N/A ASN 134.A ND2 GLU 138.A O no hydrogen 2.970 N/A ASN 134.A ND2 LEU 201.A O no hydrogen 2.971 N/A ASN 136.A N ASN 134.A OD1 no hydrogen 3.225 N/A ASN 136.A ND2 TYR 132.A OH no hydrogen 3.002 N/A ASN 136.A ND2 ASN 134.A OD1 no hydrogen 2.701 N/A LEU 140.A N LEU 201.A O no hydrogen 3.029 N/A LEU 141.A N TYR 222.A O no hydrogen 2.770 N/A VAL 142.A N THR 199.A O no hydrogen 2.979 N/A TRP 144.A N PHE 197.A O no hydrogen 2.957 N/A TRP 144.A NE1 GLN 175.A OE1 no hydrogen 3.220 N/A GLY 145.A N ILE 216.A O no hydrogen 2.873 N/A ILE 146.A N GLU 195.A O no hydrogen 2.777 N/A HIS 147.A N ASN 214.A O no hydrogen 2.902 N/A HIS 147.A ND1 TYR 159.A OH no hydrogen 2.545 N/A HIS 148.A N ARG 193.A O no hydrogen 2.772 N/A HIS 148.A NE2 GLU 195.A OE1 no hydrogen 3.103 N/A ASN 150.A N GLU 154.A OE2 no hydrogen 2.922 N/A GLU 154.A N ASP 151.A OD1 no hydrogen 2.822 N/A GLN 155.A N ASP 151.A O no hydrogen 2.916 N/A GLN 155.A NE2 ASN 161.A O no hydrogen 3.073 N/A GLN 155.A NE2 ASN 214.A OD1 no hydrogen 2.873 N/A THR 156.A N ALA 152.A O no hydrogen 3.054 N/A THR 156.A OG1 GLN 160.A O no hydrogen 3.077 N/A LYS 157.A N ALA 153.A O no hydrogen 2.952 N/A LEU 158.A N GLU 154.A O no hydrogen 3.024 N/A TYR 159.A N GLN 155.A O no hydrogen 2.982 N/A TYR 159.A OH HIS 147.A ND1 no hydrogen 2.545 N/A GLN 160.A N THR 156.A O no hydrogen 2.871 N/A ASN 161.A N TYR 159.A O no hydrogen 2.536 N/A ASN 161.A ND2 TYR 125.A O no hydrogen 3.318 N/A ASN 161.A ND2 ASN 212.A O no hydrogen 2.697 N/A THR 164.A OG1 ASN 214.A OD1 no hydrogen 2.860 N/A TYR 165.A N ASN 212.A OD1 no hydrogen 2.937 N/A TYR 165.A OH GLU 210.A OE1 no hydrogen 2.738 N/A ILE 166.A N LEU 177.A O no hydrogen 2.897 N/A SER 167.A N GLU 210.A O no hydrogen 2.764 N/A SER 167.A OG GLU 210.A O no hydrogen 3.417 N/A VAL 168.A N GLN 175.A O no hydrogen 2.996 N/A GLY 169.A N ASN 208.A O no hydrogen 2.941 N/A THR 170.A N LEU 173.A O no hydrogen 3.088 N/A SER 171.A N ASP 205.A OD2 no hydrogen 2.954 N/A SER 171.A OG ASP 205.A OD2 no hydrogen 2.917 N/A THR 172.A N THR 170.A OG1 no hydrogen 2.924 N/A LEU 173.A N THR 170.A OG1 no hydrogen 2.689 N/A GLN 175.A N VAL 168.A O no hydrogen 3.095 N/A LEU 177.A N ILE 166.A O no hydrogen 2.698 N/A LYS 180.A N HIS 148.A ND1 no hydrogen 2.767 N/A ARG 184.A NH1 PRO 149.A O no hydrogen 2.937 N/A ARG 184.A NH1 SER 191.A O no hydrogen 2.870 N/A ARG 184.A NH2 PRO 149.A O no hydrogen 3.138 N/A VAL 187.A N GLN 190.A O no hydrogen 2.693 N/A ASN 188.A ND2 CYS 58.A O no hydrogen 2.905 N/A GLN 190.A N VAL 187.A O no hydrogen 2.825 N/A ARG 193.A N HIS 148.A O no hydrogen 2.914 N/A ARG 193.A NE GLY 192.A O no hydrogen 2.861 N/A ARG 193.A NH2 SER 185.A O no hydrogen 2.741 N/A ARG 193.A NH2 GLN 190.A O no hydrogen 3.178 N/A MET 194.A N PRO 60.A O no hydrogen 3.102 N/A GLU 195.A N ILE 146.A O no hydrogen 2.829 N/A PHE 196.A N ASP 62.A O no hydrogen 2.765 N/A PHE 197.A N TRP 144.A O no hydrogen 2.822 N/A TRP 198.A NE1 ASP 65.A O no hydrogen 3.040 N/A THR 199.A N VAL 142.A O no hydrogen 2.988 N/A LEU 201.A N LEU 140.A O no hydrogen 2.716 N/A LYS 202.A NZ ASP 139.A OD1 no hydrogen 3.424 N/A ASN 204.A N ASN 134.A O no hydrogen 2.925 N/A ASP 205.A N LYS 202.A O no hydrogen 2.970 N/A ALA 206.A N ASP 205.A OD1 no hydrogen 2.836 N/A ILE 207.A N TYR 132.A O no hydrogen 2.972 N/A ASN 208.A N GLY 169.A O no hydrogen 2.774 N/A ASN 208.A ND2 GLY 169.A O no hydrogen 3.258 N/A PHE 209.A N ARG 130.A O no hydrogen 2.890 N/A GLU 210.A N SER 167.A O no hydrogen 2.949 N/A SER 211.A N ILE 128.A O no hydrogen 3.102 N/A SER 211.A OG TYR 165.A O no hydrogen 2.923 N/A SER 211.A OG GLY 213.A O no hydrogen 2.989 N/A ASN 212.A ND2 THR 163.A O no hydrogen 3.184 N/A GLY 213.A N SER 211.A OG no hydrogen 2.926 N/A ASN 214.A ND2 HIS 147.A O no hydrogen 2.871 N/A ASN 214.A ND2 GLN 155.A OE1 no hydrogen 2.818 N/A ILE 216.A N GLY 145.A O no hydrogen 2.749 N/A ALA 217.A N VAL 116.A O no hydrogen 2.831 N/A GLU 219.A N ASN 114.A O no hydrogen 2.924 N/A TYR 220.A N ASN 114.A O no hydrogen 3.232 N/A ALA 221.A N ILE 82.A O no hydrogen 2.850 N/A TYR 222.A N LEU 141.A O no hydrogen 2.967 N/A TYR 222.A OH LEU 29.A O no hydrogen 2.845 N/A LYS 223.A N GLU 80.A O no hydrogen 2.871 N/A LYS 223.A NZ GLU 80.A OE2 no hydrogen 3.073 N/A ILE 224.A N ASP 139.A O no hydrogen 2.981 N/A VAL 225.A N HIS 78.A O no hydrogen 3.016 N/A LYS 226.A N HIS 78.A O no hydrogen 3.365 N/A LYS 226.A NZ GLU 43.A OE2 no hydrogen 3.533 N/A LYS 227.A NZ ASP 139.A OD1 no hydrogen 3.392 N/A GLY 228.A N ARG 75.A O no hydrogen 3.278 N/A SER 230.A OG SER 45.A O no hydrogen 3.489 N/A SER 230.A OG ILE 76.A O no hydrogen 3.350 N/A MET 233.A N ILE 47.A O no hydrogen 2.710 N/A LYS 234.A NZ LYS 50.A O no hydrogen 3.267 N/A SER 235.A N GLU 49.A O no hydrogen 3.288 N/A SER 235.A OG PRO 249.A O no hydrogen 3.022 N/A LEU 237.A N SER 235.A OG no hydrogen 3.216 N/A TYR 239.A OH ASP 11.A OD1 no hydrogen 2.482 N/A GLY 240.A N LEU 9.A O no hydrogen 2.858 N/A CYS 242.A SG GLY 240.A O no hydrogen 3.915 N/A THR 244.A N ASP 11.A O no hydrogen 3.112 N/A THR 244.A OG1 CYS 246.A O no hydrogen 3.148 N/A CYS 246.A N THR 244.A OG1 no hydrogen 3.241 N/A GLN 247.A N ILE 267.A O no hydrogen 3.092 N/A GLN 247.A NE2 LYS 8.A O no hydrogen 3.221 N/A GLN 247.A NE2 THR 248.A O no hydrogen 3.072 N/A THR 248.A N GLY 251.A O no hydrogen 3.139 N/A THR 248.A OG1 GLY 251.A O no hydrogen 2.624 N/A GLY 251.A N THR 248.A OG1 no hydrogen 3.097 N/A ALA 252.A N ASN 6.A OD1 no hydrogen 2.765 N/A ALA 252.A N LYS 8.A O no hydrogen 3.211 N/A ILE 253.A N CYS 246.A O no hydrogen 2.956 N/A SER 255.A OG GLU 2.A OE1 no hydrogen 2.797 N/A MET 257.A N SER 255.A OG no hydrogen 3.308 N/A HIS 260.A N LYS 272.A O no hydrogen 2.809 N/A HIS 260.A ND1 PRO 271.A O no hydrogen 2.980 N/A HIS 260.A NE2 HIS 263.A O no hydrogen 3.246 N/A ASN 261.A ND2 VAL 274.A O no hydrogen 3.511 N/A ASN 261.A ND2 SER 276.A O no hydrogen 2.533 N/A LEU 265.A N HIS 263.A ND1 no hydrogen 3.332 N/A ILE 267.A N GLN 247.A O no hydrogen 3.012 N/A CYS 270.A SG THR 266.A OG1 no hydrogen 3.420 N/A CYS 270.A SG ILE 267.A O no hydrogen 3.601 N/A CYS 270.A SG GLY 268.A O no hydrogen 3.629 N/A LYS 272.A N PRO 258.A O no hydrogen 3.081 N/A VAL 274.A N HIS 260.A O no hydrogen 3.108 N/A LEU 12A.A N VAL 15.A O no hydrogen 2.909 N/A SER 97A.A OG GLU 94.A OE2 no hydrogen 2.513 N/A