Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5kya_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N GLN 7.A OE1 no hydrogen 2.860 N/A GLU 8.A N THR 4.A O no hydrogen 2.859 N/A LEU 9.A N ALA 5.A O no hydrogen 2.895 N/A MET 10.A N ALA 6.A O no hydrogen 2.937 N/A ILE 11.A N GLN 7.A O no hydrogen 3.017 N/A GLN 12.A N GLU 8.A O no hydrogen 2.983 N/A GLN 13.A N LEU 9.A O no hydrogen 3.057 N/A GLN 13.A NE2 GLN 65.A O no hydrogen 3.411 N/A LEU 14.A N MET 10.A O no hydrogen 3.108 N/A VAL 15.A N ILE 11.A O no hydrogen 2.969 N/A ALA 16.A N GLN 12.A O no hydrogen 2.863 N/A ALA 17.A N GLN 13.A O no hydrogen 2.882 N/A GLN 18.A N LEU 14.A O no hydrogen 3.034 N/A GLN 18.A NE2 GLU 92.A OE2 no hydrogen 3.064 N/A LEU 19.A N VAL 15.A O no hydrogen 3.228 N/A GLN 20.A N ALA 16.A O no hydrogen 3.026 N/A CYS 21.A N ALA 17.A O no hydrogen 2.916 N/A CYS 21.A SG ALA 17.A O no hydrogen 3.197 N/A ASN 22.A N GLN 18.A O no hydrogen 2.822 N/A LYS 23.A N LEU 19.A O no hydrogen 3.119 N/A ARG 24.A N GLN 20.A O no hydrogen 3.400 N/A SER 25.A N CYS 21.A O no hydrogen 3.319 N/A SER 25.A OG CYS 21.A O no hydrogen 3.391 N/A SER 25.A OG GLU 58.A OE1 no hydrogen 2.402 N/A PHE 26.A N ASN 22.A O no hydrogen 3.025 N/A SER 27.A N LYS 23.A O no hydrogen 3.057 N/A SER 27.A OG LYS 23.A O no hydrogen 3.316 N/A ASP 28.A N SER 25.A O no hydrogen 2.991 N/A GLN 29.A N PHE 26.A O no hydrogen 3.062 N/A GLN 29.A NE2 ASP 109.A OD1 no hydrogen 3.213 N/A LYS 31.A N ASP 28.A O no hydrogen 3.207 N/A VAL 32.A N GLN 29.A O no hydrogen 3.204 N/A THR 33.A N GLU 50.A OE1 no hydrogen 2.752 N/A THR 33.A OG1 GLU 50.A OE1 no hydrogen 3.019 N/A THR 33.A OG1 GLU 50.A OE2 no hydrogen 2.567 N/A GLN 43.A N SER 39.A O no hydrogen 3.019 N/A ARG 44.A N ALA 40.A O no hydrogen 2.887 N/A PHE 45.A N SER 41.A O no hydrogen 3.023 N/A ALA 46.A N GLN 42.A O no hydrogen 3.013 N/A HIS 47.A N GLN 43.A O no hydrogen 2.829 N/A HIS 47.A ND1 THR 33.A O no hydrogen 2.621 N/A PHE 48.A N ARG 44.A O no hydrogen 2.987 N/A THR 49.A N PHE 45.A O no hydrogen 3.042 N/A THR 49.A OG1 PHE 45.A O no hydrogen 2.884 N/A GLU 50.A N ALA 46.A O no hydrogen 2.937 N/A GLU 50.A N HIS 47.A O no hydrogen 3.042 N/A LEU 51.A N HIS 47.A O no hydrogen 3.161 N/A ALA 52.A N PHE 48.A O no hydrogen 2.957 N/A ILE 53.A N THR 49.A O no hydrogen 3.078 N/A ILE 54.A N GLU 50.A O no hydrogen 3.063 N/A SER 55.A N LEU 51.A O no hydrogen 2.923 N/A VAL 56.A N ALA 52.A O no hydrogen 2.978 N/A GLN 57.A N ILE 53.A O no hydrogen 2.997 N/A GLU 58.A N ILE 54.A O no hydrogen 2.822 N/A ILE 59.A N SER 55.A O no hydrogen 2.920 N/A VAL 60.A N VAL 56.A O no hydrogen 2.958 N/A ASP 61.A N GLN 57.A O no hydrogen 3.061 N/A PHE 62.A N GLU 58.A O no hydrogen 2.982 N/A ALA 63.A N ILE 59.A O no hydrogen 2.921 N/A LYS 64.A N VAL 60.A O no hydrogen 3.212 N/A LYS 64.A NZ LEU 241.A O no hydrogen 2.978 N/A LYS 64.A NZ LEU 242.A O no hydrogen 3.042 N/A GLN 65.A N PHE 62.A O no hydrogen 2.965 N/A VAL 66.A N ALA 63.A O no hydrogen 2.787 N/A PHE 69.A N VAL 66.A O no hydrogen 2.894 N/A GLN 71.A N GLY 68.A O no hydrogen 2.988 N/A LEU 72.A N PHE 69.A O no hydrogen 3.319 N/A ARG 74.A NE GLN 77.A OE1 no hydrogen 3.280 N/A ARG 74.A NH2 GLN 77.A OE1 no hydrogen 3.352 N/A ASP 76.A N GLY 73.A O no hydrogen 3.197 N/A GLN 77.A N GLY 73.A O no hydrogen 3.057 N/A GLN 77.A NE2 PHE 69.A O no hydrogen 3.115 N/A ILE 78.A N ARG 74.A O no hydrogen 3.208 N/A ALA 79.A N GLU 75.A O no hydrogen 3.055 N/A LEU 80.A N ASP 76.A O no hydrogen 2.810 N/A LEU 81.A N GLN 77.A O no hydrogen 3.146 N/A LYS 82.A N ILE 78.A O no hydrogen 2.832 N/A ALA 83.A N ALA 79.A O no hydrogen 3.338 N/A SER 84.A N LEU 80.A O no hydrogen 3.068 N/A SER 84.A OG LEU 80.A O no hydrogen 2.952 N/A THR 85.A N LEU 81.A O no hydrogen 3.052 N/A THR 85.A OG1 LEU 81.A O no hydrogen 2.763 N/A ILE 88.A N SER 84.A O no hydrogen 2.837 N/A MET 89.A N THR 85.A O no hydrogen 2.698 N/A LEU 90.A N ILE 86.A O no hydrogen 2.895 N/A LEU 91.A N GLU 87.A O no hydrogen 2.973 N/A GLU 92.A N ILE 88.A O no hydrogen 2.836 N/A THR 93.A N MET 89.A O no hydrogen 2.814 N/A THR 93.A OG1 MET 89.A O no hydrogen 2.743 N/A ALA 94.A N LEU 90.A O no hydrogen 2.907 N/A ARG 95.A N LEU 91.A O no hydrogen 3.045 N/A ARG 95.A NH1 GLN 18.A OE1 no hydrogen 2.763 N/A ARG 95.A NH1 GLU 92.A OE2 no hydrogen 2.630 N/A ARG 95.A NH2 GLN 18.A OE1 no hydrogen 3.024 N/A ARG 95.A NH2 ASP 144.A OD1 no hydrogen 3.203 N/A ARG 96.A N THR 93.A O no hydrogen 2.927 N/A ARG 96.A NH1 GLU 92.A O no hydrogen 3.134 N/A ARG 96.A NH1 GLU 92.A OE1 no hydrogen 2.638 N/A TYR 97.A N ALA 94.A O no hydrogen 2.934 N/A ASN 98.A N CYS 103.A O no hydrogen 2.924 N/A GLU 100.A N ASN 98.A OD1 no hydrogen 2.819 N/A THR 101.A N ASN 98.A OD1 no hydrogen 3.324 N/A CYS 103.A N THR 101.A OG1 no hydrogen 3.303 N/A CYS 103.A SG THR 101.A O no hydrogen 3.416 N/A ILE 104.A N TYR 112.A O no hydrogen 2.885 N/A THR 105.A N ARG 96.A O no hydrogen 2.986 N/A PHE 106.A N PHE 110.A O no hydrogen 2.746 N/A PHE 110.A N PHE 106.A O no hydrogen 3.153 N/A TYR 112.A N ILE 104.A O no hydrogen 2.899 N/A TYR 112.A OH HIS 47.A NE2 no hydrogen 2.498 N/A SER 113.A N ASP 116.A OD2 no hydrogen 2.876 N/A SER 113.A OG ASP 116.A OD2 no hydrogen 2.885 N/A LYS 114.A NZ ASN 128.A OD1 no hydrogen 3.004 N/A ASP 116.A N SER 113.A OG no hydrogen 3.309 N/A PHE 117.A N SER 113.A O no hydrogen 3.038 N/A HIS 118.A N LYS 114.A O no hydrogen 2.951 N/A ARG 119.A N ASP 115.A O no hydrogen 2.817 N/A ARG 119.A NH2 ASP 116.A OD1 no hydrogen 2.780 N/A ALA 120.A N ASP 116.A O no hydrogen 2.930 N/A GLY 121.A N HIS 118.A O no hydrogen 3.001 N/A LEU 122.A N PHE 117.A O no hydrogen 3.369 N/A GLN 123.A N GLN 215.A OE1 no hydrogen 2.665 N/A GLN 123.A NE2 GLU 214.A O no hydrogen 3.506 N/A GLU 125.A N GLU 125.A OE1 no hydrogen 2.908 N/A PHE 126.A N GLN 123.A O no hydrogen 2.889 N/A ILE 127.A N GLN 123.A O no hydrogen 2.976 N/A ASN 128.A N VAL 124.A O no hydrogen 2.997 N/A ILE 130.A N PHE 126.A O no hydrogen 3.211 N/A PHE 131.A N ILE 127.A O no hydrogen 3.000 N/A GLU 132.A N ASN 128.A O no hydrogen 2.862 N/A PHE 133.A N PRO 129.A O no hydrogen 2.754 N/A SER 134.A N ILE 130.A O no hydrogen 2.995 N/A SER 134.A OG ILE 130.A O no hydrogen 2.872 N/A ARG 135.A N PHE 131.A O no hydrogen 3.053 N/A ARG 135.A NH2 GLU 132.A OE2 no hydrogen 3.219 N/A ALA 136.A N GLU 132.A O no hydrogen 2.978 N/A MET 137.A N PHE 133.A O no hydrogen 2.949 N/A ARG 138.A N SER 134.A O no hydrogen 3.021 N/A ARG 138.A NE HIS 99.A ND1 no hydrogen 3.332 N/A ARG 139.A N ARG 135.A O no hydrogen 3.079 N/A GLY 141.A N ARG 138.A O no hydrogen 3.095 N/A ASP 143.A N GLU 146.A OE1 no hydrogen 2.851 N/A GLU 146.A N ASP 143.A OD1 no hydrogen 2.939 N/A TYR 147.A N ASP 143.A O no hydrogen 3.010 N/A ALA 148.A N ASP 144.A O no hydrogen 2.983 N/A LEU 149.A N ALA 145.A O no hydrogen 2.951 N/A LEU 150.A N GLU 146.A O no hydrogen 2.916 N/A ILE 151.A N TYR 147.A O no hydrogen 2.989 N/A ALA 152.A N ALA 148.A O no hydrogen 3.032 N/A ILE 153.A N LEU 149.A O no hydrogen 2.858 N/A ASN 154.A N LEU 150.A O no hydrogen 3.007 N/A ASN 154.A ND2 GLU 87.A OE2 no hydrogen 2.776 N/A ILE 155.A N ILE 151.A O no hydrogen 3.014 N/A PHE 156.A N ALA 152.A O no hydrogen 3.210 N/A SER 157.A N ILE 155.A O no hydrogen 2.891 N/A SER 157.A OG ASN 154.A O no hydrogen 2.568 N/A ARG 160.A NH1 GLU 87.A OE1 no hydrogen 2.882 N/A ARG 160.A NH2 GLU 87.A OE1 no hydrogen 3.561 N/A ARG 160.A NH2 GLU 87.A OE2 no hydrogen 3.023 N/A ARG 160.A NH2 ASN 154.A O no hydrogen 3.514 N/A GLN 164.A N ASP 76.A OD1 no hydrogen 2.923 N/A GLU 165.A N ASP 76.A OD2 no hydrogen 3.003 N/A ARG 168.A NH2 GLN 71.A O no hydrogen 2.621 N/A VAL 169.A N GLU 165.A O no hydrogen 3.315 N/A GLU 170.A N PRO 166.A O no hydrogen 2.890 N/A ALA 171.A N GLY 167.A O no hydrogen 3.220 N/A LEU 172.A N ARG 168.A O no hydrogen 3.108 N/A GLN 173.A N VAL 169.A O no hydrogen 2.982 N/A GLN 174.A N GLU 170.A O no hydrogen 3.116 N/A TYR 176.A OH PRO 67.A O no hydrogen 2.717 N/A VAL 177.A N GLN 173.A O no hydrogen 3.100 N/A GLU 178.A N GLN 174.A O no hydrogen 2.852 N/A ALA 179.A N PRO 175.A O no hydrogen 2.719 N/A LEU 180.A N TYR 176.A O no hydrogen 3.095 N/A LEU 181.A N VAL 177.A O no hydrogen 2.987 N/A SER 182.A N GLU 178.A O no hydrogen 3.090 N/A SER 182.A OG GLN 2.A O no hydrogen 3.247 N/A SER 182.A OG GLU 178.A O no hydrogen 3.521 N/A TYR 183.A N ALA 179.A O no hydrogen 2.761 N/A TYR 183.A OH ASP 143.A OD2 no hydrogen 2.564 N/A THR 184.A N LEU 180.A O no hydrogen 2.906 N/A THR 184.A OG1 LEU 180.A O no hydrogen 3.143 N/A THR 184.A OG1 LEU 181.A O no hydrogen 3.400 N/A ARG 185.A N LEU 181.A O no hydrogen 3.032 N/A ARG 185.A NH2 GLN 192.A O no hydrogen 2.692 N/A ILE 186.A N SER 182.A O no hydrogen 3.101 N/A LYS 187.A N TYR 183.A O no hydrogen 2.990 N/A LYS 187.A NZ ASP 143.A OD2 no hydrogen 3.028 N/A ARG 188.A N THR 184.A O no hydrogen 3.083 N/A ASP 191.A N ARG 188.A O no hydrogen 3.169 N/A GLN 192.A NE2 PRO 189.A O no hydrogen 2.885 N/A ARG 194.A N ASP 191.A O no hydrogen 3.429 N/A ARG 194.A NE GLU 146.A OE2 no hydrogen 2.768 N/A ARG 194.A NH1 LEU 140.A O no hydrogen 3.039 N/A ARG 194.A NH2 GLY 141.A O no hydrogen 3.094 N/A ARG 194.A NH2 GLU 146.A OE1 no hydrogen 2.763 N/A ARG 194.A NH2 GLU 146.A OE2 no hydrogen 3.207 N/A ARG 197.A N LEU 193.A O no hydrogen 3.061 N/A ARG 197.A NH1 ASP 191.A OD1 no hydrogen 3.313 N/A ARG 197.A NH1 ASP 191.A OD2 no hydrogen 3.372 N/A MET 198.A N ARG 194.A O no hydrogen 3.029 N/A LEU 199.A N PHE 195.A O no hydrogen 3.022 N/A MET 200.A N PRO 196.A O no hydrogen 2.950 N/A LYS 201.A N MET 198.A O no hydrogen 2.958 N/A LEU 202.A N LEU 199.A O no hydrogen 2.953 N/A VAL 203.A N MET 200.A O no hydrogen 3.007 N/A SER 204.A N MET 200.A O no hydrogen 3.278 N/A LEU 205.A N LYS 201.A O no hydrogen 2.930 N/A ARG 206.A N VAL 203.A O no hydrogen 2.974 N/A ARG 206.A NH1 ASP 159.A OD2 no hydrogen 2.730 N/A ARG 206.A NH2 ASP 159.A OD1 no hydrogen 2.780 N/A ARG 206.A NH2 ASP 159.A OD2 no hydrogen 3.211 N/A THR 207.A N VAL 203.A O no hydrogen 3.344 N/A LEU 208.A N SER 204.A O no hydrogen 2.944 N/A SER 209.A N LEU 205.A O no hydrogen 2.862 N/A SER 210.A N ARG 206.A O no hydrogen 3.237 N/A VAL 211.A N THR 207.A O no hydrogen 2.936 N/A HIS 212.A N LEU 208.A O no hydrogen 2.990 N/A HIS 212.A N SER 209.A O no hydrogen 3.253 N/A SER 213.A N SER 209.A O no hydrogen 3.293 N/A SER 213.A OG SER 209.A O no hydrogen 3.497 N/A GLU 214.A N SER 210.A O no hydrogen 3.334 N/A GLN 215.A N VAL 211.A O no hydrogen 3.121 N/A GLN 215.A NE2 GLN 215.A O no hydrogen 2.843 N/A VAL 216.A N HIS 212.A O no hydrogen 2.924 N/A PHE 217.A N SER 213.A O no hydrogen 2.922 N/A ALA 218.A N GLU 214.A O no hydrogen 3.168 N/A LEU 219.A N GLN 215.A O no hydrogen 3.025 N/A ARG 220.A N VAL 216.A O no hydrogen 3.194 N/A LEU 221.A N PHE 217.A O no hydrogen 3.230 N/A GLN 222.A N ALA 218.A O no hydrogen 2.984 N/A ASP 223.A N ARG 220.A O no hydrogen 2.723 N/A LYS 224.A N LEU 219.A O no hydrogen 2.959 N/A LEU 230.A N PRO 227.A O no hydrogen 3.155 N/A SER 231.A N PRO 227.A O no hydrogen 3.102 N/A SER 231.A OG LEU 226.A O no hydrogen 3.273 N/A SER 231.A OG PRO 227.A O no hydrogen 3.431 N/A GLU 232.A N PRO 228.A O no hydrogen 2.844 N/A ILE 233.A N LEU 229.A O no hydrogen 3.088 N/A TRP 234.A N LEU 230.A O no hydrogen 3.060 N/A ASP 235.A N GLU 232.A O no hydrogen 3.370 N/A ILE 237.A N GLU 232.A OE1 no hydrogen 2.853 N/A LEU 238.A N GLU 232.A OE2 no hydrogen 3.197 N/A ARG 240.A N LYS 236.A O no hydrogen 3.088 N/A LEU 241.A N ILE 237.A O no hydrogen 2.915 N/A LEU 242.A N LEU 238.A O no hydrogen 2.965 N/A GLN 243.A N HIS 239.A O no hydrogen 2.936 N/A ASP 244.A N ARG 240.A O no hydrogen 3.092 N/A