Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3stg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASN 189.A O no hydrogen 2.808 N/A ILE 3.A N LEU 10.A O no hydrogen 2.893 N/A LYS 4.A NZ ASN 6.A O no hydrogen 2.738 N/A LYS 4.A NZ ILE 8.A O no hydrogen 3.046 N/A ILE 5.A N ILE 8.A O no hydrogen 2.960 N/A ILE 8.A N ILE 5.A O no hydrogen 2.953 N/A LEU 10.A N ILE 3.A O no hydrogen 2.921 N/A ASN 12.A ND2 ASN 189.A OD1 no hydrogen 3.026 N/A ASN 12.A ND2 LEU 190.A O no hydrogen 2.755 N/A SER 14.A N GLY 11.A O no hydrogen 3.033 N/A PHE 16.A N ASP 248.A OD2 no hydrogen 2.893 N/A VAL 17.A N ALA 219.A O no hydrogen 3.060 N/A LEU 18.A N PRO 48.A O no hydrogen 2.944 N/A PHE 19.A N LEU 221.A O no hydrogen 2.868 N/A GLY 20.A N ILE 50.A O no hydrogen 2.987 N/A GLY 21.A N LEU 223.A O no hydrogen 3.083 N/A ILE 22.A N LYS 52.A O no hydrogen 3.039 N/A LEU 25.A N SER 54.A O no hydrogen 2.866 N/A THR 31.A N SER 27.A O no hydrogen 3.117 N/A THR 31.A OG1 SER 27.A O no hydrogen 2.658 N/A LEU 32.A N LEU 28.A O no hydrogen 2.819 N/A GLN 33.A N ASP 29.A O.A no hydrogen 2.993 N/A GLN 33.A N ASP 29.A O.B no hydrogen 3.223 N/A THR 34.A N SER 30.A O no hydrogen 3.178 N/A CYS 35.A N THR 31.A O no hydrogen 2.913 N/A ALA 36.A N LEU 32.A O no hydrogen 2.833 N/A HIS 37.A N GLN 33.A O no hydrogen 3.368 N/A HIS 37.A N THR 34.A O no hydrogen 3.038 N/A TYR 38.A N THR 34.A O no hydrogen 3.263 N/A TYR 38.A OH GLY 21.A O no hydrogen 3.159 N/A VAL 39.A N CYS 35.A O no hydrogen 2.813 N/A GLU 40.A N ALA 36.A O no hydrogen 2.937 N/A VAL 41.A N HIS 37.A O no hydrogen 2.997 N/A THR 42.A N TYR 38.A O no hydrogen 2.920 N/A THR 42.A OG1 TYR 38.A O no hydrogen 2.752 N/A THR 42.A OG1 VAL 39.A O no hydrogen 3.245 N/A ARG 43.A N VAL 39.A O no hydrogen 2.896 N/A LYS 44.A N GLU 40.A O no hydrogen 2.975 N/A LYS 44.A NZ GLU 238.A OE1 no hydrogen 2.806 N/A LEU 45.A N VAL 41.A O no hydrogen 3.005 N/A GLY 46.A N ARG 43.A O no hydrogen 3.297 N/A ILE 47.A N THR 42.A O no hydrogen 2.920 N/A TYR 49.A OH GLY 20.A O no hydrogen 2.768 N/A ILE 50.A N LEU 18.A O no hydrogen 2.828 N/A PHE 51.A N PRO 87.A O no hydrogen 3.155 N/A LYS 52.A N GLY 20.A O no hydrogen 2.863 N/A LYS 52.A NZ ILE 22.A O no hydrogen 2.758 N/A LYS 52.A NZ ASN 23.A O no hydrogen 2.921 N/A LYS 52.A NZ SER 54.A OG no hydrogen 3.397 N/A LYS 52.A NZ GLU 224.A OE2 no hydrogen 3.007 N/A ALA 53.A N ILE 89.A O no hydrogen 3.303 N/A SER 54.A N ASN 23.A O no hydrogen 3.348 N/A SER 54.A OG ASN 23.A O no hydrogen 3.385 N/A SER 54.A OG ASP 91.A OD1 no hydrogen 2.720 N/A LYS 57.A N ARG 66.A O no hydrogen 2.854 N/A LYS 57.A NZ ASN 23.A OD1 no hydrogen 2.997 N/A SER 60.A N LYS 57.A O no hydrogen 3.385 N/A SER 61.A OG SER 64.A OG no hydrogen 2.588 N/A SER 64.A N SER 61.A O no hydrogen 3.066 N/A SER 64.A OG SER 61.A OG no hydrogen 2.588 N/A ARG 66.A NH1 ASP 56.A OD2 no hydrogen 3.376 N/A VAL 68.A N LEU 25.A O no hydrogen 3.245 N/A GLY 69.A N PHE 55.A O no hydrogen 2.839 N/A GLY 73.A N GLY 69.A O no hydrogen 2.840 N/A LEU 74.A N LEU 70.A O no hydrogen 2.880 N/A LYS 75.A N GLU 71.A O no hydrogen 3.261 N/A ILE 76.A N GLU 72.A O no hydrogen 3.091 N/A PHE 77.A N GLY 73.A O no hydrogen 3.011 N/A GLU 78.A N LEU 74.A O no hydrogen 2.832 N/A LYS 79.A N LYS 75.A O no hydrogen 3.115 N/A VAL 80.A N ILE 76.A O no hydrogen 2.948 N/A LYS 81.A N PHE 77.A O no hydrogen 2.956 N/A LYS 81.A NZ ASP 106.A OD1 no hydrogen 2.791 N/A LYS 81.A NZ ASP 106.A OD2 no hydrogen 3.259 N/A ALA 82.A N GLU 78.A O no hydrogen 2.969 N/A GLU 83.A N LYS 79.A O no hydrogen 2.854 N/A PHE 84.A N VAL 80.A O no hydrogen 2.991 N/A GLY 85.A N LYS 81.A O no hydrogen 2.763 N/A VAL 88.A N ASP 106.A OD1 no hydrogen 2.954 N/A ILE 89.A N PHE 51.A O no hydrogen 2.877 N/A THR 90.A N VAL 107.A O no hydrogen 3.321 N/A THR 90.A OG1 ALA 53.A O no hydrogen 2.581 N/A VAL 92.A N GLN 109.A O no hydrogen 3.136 N/A HIS 93.A N GLN 97.A OE1 no hydrogen 2.960 N/A HIS 93.A NE2 ASP 91.A OD2 no hydrogen 2.664 N/A GLU 94.A N GLN 97.A OE1 no hydrogen 3.251 N/A GLN 97.A N GLU 94.A O no hydrogen 3.092 N/A CYS 98.A N PRO 95.A O no hydrogen 3.032 N/A CYS 98.A SG GLU 94.A O no hydrogen 3.821 N/A VAL 101.A N GLN 97.A O no hydrogen 3.063 N/A ALA 102.A N CYS 98.A O no hydrogen 2.875 N/A GLU 103.A N GLN 99.A O no hydrogen 3.105 N/A VAL 104.A N VAL 101.A O no hydrogen 3.139 N/A CYS 105.A N VAL 101.A O no hydrogen 2.795 N/A VAL 107.A N VAL 88.A O no hydrogen 3.072 N/A ILE 108.A N VAL 130.A O no hydrogen 2.952 N/A GLN 109.A N THR 90.A O no hydrogen 2.853 N/A LEU 110.A N ASN 132.A O no hydrogen 2.849 N/A LEU 114.A N PRO 111.A O no hydrogen 3.036 N/A ALA 115.A N ALA 112.A O no hydrogen 3.092 N/A GLN 117.A N LEU 114.A O no hydrogen 2.989 N/A VAL 121.A N GLN 117.A O no hydrogen 3.053 N/A VAL 122.A N THR 118.A O no hydrogen 2.906 N/A ALA 123.A N ASP 119.A O no hydrogen 2.968 N/A MET 124.A N LEU 120.A O no hydrogen 2.773 N/A ALA 125.A N VAL 121.A O no hydrogen 2.855 N/A LYS 126.A N VAL 122.A O no hydrogen 2.999 N/A THR 127.A N MET 124.A O no hydrogen 3.211 N/A THR 127.A OG1 MET 124.A O no hydrogen 2.727 N/A GLY 128.A N ALA 125.A O no hydrogen 3.048 N/A ASN 129.A N THR 127.A OG1 no hydrogen 3.173 N/A ASN 129.A ND2 ALA 102.A O no hydrogen 2.906 N/A ASN 129.A ND2 CYS 105.A O no hydrogen 2.897 N/A ASN 129.A ND2 ASP 106.A O no hydrogen 3.443 N/A VAL 131.A N LYS 158.A O no hydrogen 2.943 N/A ASN 132.A N ILE 108.A O no hydrogen 2.853 N/A ASN 132.A ND2 GLN 109.A OE1 no hydrogen 2.982 N/A ILE 133.A N ILE 160.A O no hydrogen 2.700 N/A LYS 134.A N LEU 110.A O no hydrogen 3.264 N/A LYS 134.A NZ ASP 195.A OD2 no hydrogen 2.723 N/A LYS 134.A NZ HIS 198.A ND1 no hydrogen 3.536 N/A LYS 135.A N CYS 162.A O no hydrogen 2.846 N/A LYS 135.A NZ GLU 163.A OE1 no hydrogen 2.953 N/A LEU 139.A N PRO 136.A O no hydrogen 3.228 N/A SER 140.A N GLN 143.A OE1 no hydrogen 2.907 N/A SER 140.A OG SER 142.A OG no hydrogen 3.374 N/A SER 140.A OG GLN 143.A OE1 no hydrogen 3.303 N/A SER 142.A OG SER 140.A OG no hydrogen 3.374 N/A GLN 143.A N SER 140.A OG no hydrogen 3.156 N/A MET 144.A N PRO 141.A O no hydrogen 3.299 N/A ASN 146.A N GLN 143.A O no hydrogen 3.318 N/A ASN 146.A ND2 GLN 143.A O no hydrogen 3.613 N/A ILE 147.A N MET 144.A O no hydrogen 2.981 N/A VAL 148.A N MET 144.A O no hydrogen 3.090 N/A GLU 149.A N LYS 145.A O no hydrogen 2.802 N/A LYS 150.A N ASN 146.A O no hydrogen 3.238 N/A LYS 150.A NZ THR 118.A OG1 no hydrogen 2.819 N/A PHE 151.A N ILE 147.A O no hydrogen 3.111 N/A HIS 152.A N VAL 148.A O no hydrogen 2.956 N/A GLU 153.A N GLU 149.A O no hydrogen 2.952 N/A ALA 154.A N LYS 150.A O no hydrogen 2.933 N/A GLY 155.A N HIS 152.A O no hydrogen 3.204 N/A ASN 156.A N PHE 151.A O no hydrogen 2.984 N/A ASN 156.A ND2 ALA 125.A O no hydrogen 3.378 N/A ASN 156.A ND2 ASN 129.A O no hydrogen 2.797 N/A LYS 158.A N ASN 156.A OD1 no hydrogen 2.954 N/A ILE 160.A N VAL 131.A O no hydrogen 2.797 N/A LEU 161.A N PRO 191.A O no hydrogen 2.972 N/A CYS 162.A N ILE 133.A O no hydrogen 2.781 N/A CYS 162.A SG GLU 163.A O no hydrogen 4.043 N/A GLU 163.A N ILE 193.A O no hydrogen 3.002 N/A ARG 164.A NH1 ARG 164.A O no hydrogen 2.534 N/A GLY 165.A N GLU 163.A OE2 no hydrogen 2.797 N/A SER 166.A N VAL 174.A O no hydrogen 2.739 N/A SER 167.A N GLN 137.A O no hydrogen 2.916 N/A SER 167.A OG GLN 137.A O no hydrogen 3.498 N/A SER 167.A OG GLN 137.A OE1 no hydrogen 2.603 N/A PHE 168.A N ASN 172.A O no hydrogen 2.911 N/A VAL 174.A N SER 166.A O no hydrogen 2.915 N/A LEU 178.A N ASP 176.A OD1 no hydrogen 3.090 N/A GLY 179.A N ASP 176.A O no hydrogen 2.915 N/A VAL 182.A N LEU 178.A O no hydrogen 3.185 N/A MET 183.A N GLY 179.A O no hydrogen 2.872 N/A LYS 184.A N PHE 180.A O no hydrogen 2.991 N/A LYS 184.A NZ THR 216.A O no hydrogen 2.890 N/A LYS 184.A NZ ARG 217.A O no hydrogen 2.722 N/A GLN 185.A N GLY 181.A O no hydrogen 2.934 N/A THR 186.A N VAL 182.A O no hydrogen 2.972 N/A THR 186.A OG1 VAL 182.A O no hydrogen 2.831 N/A CYS 187.A N MET 183.A O no hydrogen 3.009 N/A ASN 189.A N LYS 184.A O no hydrogen 2.818 N/A VAL 192.A N ASN 12.A OD1 no hydrogen 2.787 N/A ILE 193.A N LEU 161.A O no hydrogen 2.861 N/A PHE 194.A N GLY 220.A O no hydrogen 3.121 N/A ASP 195.A N GLU 163.A O no hydrogen 2.854 N/A VAL 196.A N PHE 222.A O no hydrogen 3.156 N/A HIS 198.A N ASP 195.A OD1 no hydrogen 2.808 N/A HIS 198.A ND1 ASP 195.A OD2 no hydrogen 2.699 N/A SER 199.A N VAL 196.A O no hydrogen 3.287 N/A SER 199.A OG ASP 195.A O no hydrogen 2.821 N/A LEU 200.A N THR 197.A O no hydrogen 3.235 N/A ARG 203.A NE ALA 231.A O no hydrogen 2.830 N/A ARG 203.A NH2 ALA 231.A O no hydrogen 3.261 N/A GLN 205.A N ARG 202.A O no hydrogen 3.232 N/A ALA 206.A N ARG 203.A O no hydrogen 2.960 N/A LEU 209.A N GLN 205.A O no hydrogen 3.099 N/A ALA 210.A N ALA 206.A O no hydrogen 2.979 N/A LEU 211.A N LEU 207.A O no hydrogen 2.868 N/A ALA 212.A N ASP 208.A O no hydrogen 3.076 N/A GLY 213.A N LEU 209.A O no hydrogen 3.015 N/A MET 214.A N ALA 210.A O no hydrogen 2.974 N/A ALA 215.A N LEU 211.A O no hydrogen 2.873 N/A THR 216.A N GLY 213.A O no hydrogen 3.090 N/A THR 216.A OG1 GLY 213.A O no hydrogen 2.859 N/A ARG 217.A N MET 214.A O no hydrogen 3.161 N/A ARG 217.A NE ASN 13.A OD1 no hydrogen 2.745 N/A ARG 217.A NH1 GLN 254.A O no hydrogen 3.192 N/A ARG 217.A NH2 ASN 13.A OD1 no hydrogen 2.634 N/A ARG 217.A NH2 GLN 254.A O no hydrogen 2.911 N/A ALA 219.A N VAL 192.A O no hydrogen 2.796 N/A LEU 221.A N VAL 17.A O no hydrogen 3.043 N/A PHE 222.A N PHE 194.A O no hydrogen 2.741 N/A LEU 223.A N PHE 19.A O no hydrogen 2.900 N/A GLU 224.A N THR 197.A OG1 no hydrogen 2.938 N/A SER 225.A N GLY 21.A O no hydrogen 2.829 N/A SER 225.A OG TYR 38.A OH no hydrogen 3.064 N/A SER 225.A OG LEU 232.A O no hydrogen 3.224 N/A HIS 226.A N LEU 232.A O no hydrogen 3.160 N/A SER 230.A OG THR 197.A O no hydrogen 2.589 N/A LEU 232.A N GLU 224.A O no hydrogen 3.133 N/A LEU 234.A N HIS 226.A O no hydrogen 3.122 N/A LEU 236.A N PRO 233.A O no hydrogen 2.992 N/A LEU 237.A N LEU 234.A O no hydrogen 3.150 N/A PHE 240.A N LEU 236.A O no hydrogen 2.952 N/A LEU 241.A N LEU 237.A O no hydrogen 2.840 N/A ILE 242.A N GLU 238.A O no hydrogen 2.863 N/A ARG 243.A N ASP 239.A O no hydrogen 3.454 N/A ARG 243.A NH1 ASP 239.A O no hydrogen 3.315 N/A ILE 244.A N PHE 240.A O no hydrogen 3.143 N/A LYS 245.A N LEU 241.A O no hydrogen 2.785 N/A LYS 245.A NZ ASP 249.A OD2 no hydrogen 2.733 N/A ALA 246.A N ILE 242.A O no hydrogen 2.952 N/A LEU 247.A N ARG 243.A O no hydrogen 3.076 N/A ASP 248.A N ILE 244.A O no hydrogen 2.823 N/A ASP 249.A N LYS 245.A O no hydrogen 2.856 N/A LEU 250.A N ALA 246.A O no hydrogen 3.214 N/A ILE 251.A N LEU 247.A O no hydrogen 3.002 N/A LYS 252.A N ASP 248.A O no hydrogen 2.923 N/A LYS 252.A NZ SER 14.A O no hydrogen 2.647 N/A LYS 252.A NZ LEU 218.A O no hydrogen 2.760 N/A LYS 252.A NZ ASP 248.A OD1 no hydrogen 2.856 N/A SER 253.A N LEU 250.A O no hydrogen 3.055 N/A SER 253.A OG LEU 250.A O no hydrogen 2.689 N/A GLN 254.A N ILE 251.A O no hydrogen 3.299 N/A