Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ma3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N ILE 18.A O no hydrogen 2.878 N/A GLY 5.A N SER 16.A O no hydrogen 2.602 N/A LEU 8.A N VAL 14.A O no hydrogen 2.736 N/A GLY 9.A N VAL 14.A O no hydrogen 3.417 N/A VAL 14.A N GLY 9.A O no hydrogen 3.074 N/A TYR 15.A N ILE 28.A O no hydrogen 2.855 N/A SER 16.A N PRO 6.A O no hydrogen 3.010 N/A ILE 18.A N GLN 3.A O no hydrogen 3.038 N/A ARG 19.A N LEU 24.A O no hydrogen 2.965 N/A ARG 19.A NE ASP 22.A OD1 no hydrogen 2.850 N/A ARG 19.A NH2 ASP 22.A OD1 no hydrogen 3.481 N/A ARG 19.A NH2 ASP 22.A OD2 no hydrogen 2.914 N/A VAL 20.A N GLN 1.A O no hydrogen 2.957 N/A ASP 22.A N ARG 19.A O no hydrogen 3.260 N/A VAL 26.A N GLY 17.A O no hydrogen 2.860 N/A ALA 27.A N LEU 82.A O no hydrogen 2.791 N/A ILE 28.A N TYR 15.A O no hydrogen 2.874 N/A LYS 29.A N LEU 80.A O no hydrogen 2.828 N/A LYS 29.A NZ GLU 51.A OE2 no hydrogen 2.691 N/A LYS 29.A NZ ASP 148.A OD1 no hydrogen 3.294 N/A HIS 30.A N SER 13.A O no hydrogen 2.952 N/A VAL 31.A N PHE 78.A O no hydrogen 2.858 N/A LYS 33.A N ASP 76.A O no hydrogen 2.890 N/A LYS 33.A NZ GLU 73.A OE2 no hydrogen 3.199 N/A LYS 33.A NZ ARG 74.A O no hydrogen 2.489 N/A LYS 33.A NZ PRO 75.A O no hydrogen 2.655 N/A ARG 35.A N GLU 32.A O no hydrogen 3.237 N/A ILE 36.A N LYS 33.A O no hydrogen 3.241 N/A TRP 39.A NE1 ILE 36.A O no hydrogen 3.158 N/A GLY 40.A N VAL 48.A O no hydrogen 2.758 N/A LEU 42.A N THR 46.A O no hydrogen 3.178 N/A GLY 45.A N LEU 42.A O no hydrogen 2.659 N/A THR 46.A OG1 ASN 44.A OD1 no hydrogen 2.749 N/A VAL 48.A N GLY 40.A O no hydrogen 2.735 N/A MET 50.A N ASP 38.A O no hydrogen 3.026 N/A VAL 52.A N PRO 49.A O no hydrogen 2.907 N/A VAL 53.A N PRO 49.A O no hydrogen 3.258 N/A LEU 54.A N MET 50.A O no hydrogen 2.857 N/A LEU 55.A N GLU 51.A O no hydrogen 2.901 N/A LYS 56.A N VAL 52.A O no hydrogen 2.976 N/A LYS 57.A N VAL 53.A O no hydrogen 3.202 N/A LYS 57.A NZ CYS 123.A O no hydrogen 3.361 N/A VAL 58.A N LEU 54.A O no hydrogen 3.089 N/A VAL 58.A N LEU 55.A O no hydrogen 3.268 N/A SER 59.A N LYS 56.A O no hydrogen 3.382 N/A SER 59.A OG LEU 55.A O no hydrogen 2.467 N/A VAL 65.A N SER 63.A OG no hydrogen 3.323 N/A ILE 66.A N LEU 146.A O no hydrogen 3.105 N/A ARG 67.A N GLU 83.A OE1 no hydrogen 3.372 N/A ARG 67.A NE SER 59.A O no hydrogen 3.099 N/A LEU 68.A N SER 59.A OG no hydrogen 3.005 N/A LEU 69.A N ILE 81.A O no hydrogen 2.607 N/A ASP 70.A N ILE 81.A O no hydrogen 3.316 N/A TRP 71.A N ASP 70.A OD1 no hydrogen 2.875 N/A PHE 72.A N VAL 79.A O no hydrogen 2.911 N/A ARG 74.A N SER 77.A O no hydrogen 2.653 N/A PHE 78.A N VAL 31.A O no hydrogen 2.924 N/A VAL 79.A N PHE 72.A O no hydrogen 2.991 N/A LEU 80.A N LYS 29.A O no hydrogen 2.743 N/A ILE 81.A N ASP 70.A O no hydrogen 2.827 N/A LEU 82.A N ALA 27.A O no hydrogen 2.848 N/A GLU 83.A N ARG 67.A O no hydrogen 2.979 N/A ARG 84.A NE VAL 26.A O no hydrogen 2.745 N/A ARG 84.A NH2 GLY 17.A O no hydrogen 2.705 N/A GLN 89.A N ILE 137.A O no hydrogen 3.130 N/A GLN 89.A NE2 GLU 97.A OE1.A no hydrogen 2.954 N/A GLN 89.A NE2 GLU 97.A OE1.B no hydrogen 3.464 N/A LEU 91.A N ILE 135.A O no hydrogen 2.839 N/A ASP 93.A N ASP 90.A OD2 no hydrogen 2.666 N/A PHE 94.A N ASP 90.A O no hydrogen 3.080 N/A ILE 95.A N LEU 91.A O no hydrogen 2.955 N/A THR 96.A N PHE 92.A O no hydrogen 2.957 N/A THR 96.A OG1 PHE 92.A O no hydrogen 2.961 N/A GLU 97.A N ASP 93.A O no hydrogen 2.853 N/A ARG 98.A N PHE 94.A O no hydrogen 2.946 N/A ARG 98.A NH1 HIS 264.A O no hydrogen 2.856 N/A ARG 98.A NH2 HIS 264.A O no hydrogen 3.118 N/A GLY 99.A N ILE 95.A O no hydrogen 2.780 N/A LEU 101.A N MET 197.A O no hydrogen 2.786 N/A ALA 106.A N GLN 102.A O no hydrogen 2.849 N/A ARG 107.A N GLU 103.A O no hydrogen 2.767 N/A ARG 107.A NE TRP 250.A O no hydrogen 2.697 N/A ARG 107.A NH2 TRP 250.A O no hydrogen 3.091 N/A SER 108.A N GLU 104.A O no hydrogen 3.251 N/A SER 108.A OG THR 260.A OG1 no hydrogen 2.740 N/A PHE 109.A N LEU 105.A O no hydrogen 3.132 N/A PHE 110.A N ALA 106.A O no hydrogen 2.867 N/A TRP 111.A N ARG 107.A O no hydrogen 2.999 N/A GLN 112.A N SER 108.A O no hydrogen 3.133 N/A GLN 112.A NE2 GLY 142.A O no hydrogen 2.952 N/A VAL 113.A N PHE 109.A O no hydrogen 2.882 N/A LEU 114.A N PHE 110.A O no hydrogen 2.845 N/A GLU 115.A N TRP 111.A O no hydrogen 2.947 N/A ALA 116.A N GLN 112.A O no hydrogen 3.023 N/A VAL 117.A N VAL 113.A O no hydrogen 2.959 N/A ARG 118.A N LEU 114.A O no hydrogen 2.983 N/A ARG 118.A NH1 GLN 246.A OE1 no hydrogen 3.163 N/A HIS 119.A N GLU 115.A O no hydrogen 2.991 N/A HIS 119.A NE2 VAL 58.A O no hydrogen 2.817 N/A CYS 120.A N ALA 116.A O no hydrogen 3.018 N/A CYS 120.A SG ALA 116.A O no hydrogen 3.321 N/A HIS 121.A N VAL 117.A O no hydrogen 2.889 N/A ASN 122.A N ARG 118.A O no hydrogen 2.853 N/A CYS 123.A N HIS 119.A O no hydrogen 3.161 N/A CYS 123.A SG LYS 57.A O no hydrogen 3.373 N/A CYS 123.A SG HIS 119.A O no hydrogen 3.287 N/A GLY 124.A N HIS 121.A O no hydrogen 2.837 N/A VAL 125.A N CYS 120.A O no hydrogen 2.949 N/A LEU 126.A N ALA 153.A O no hydrogen 2.754 N/A HIS 127.A NE2 ILE 147.A O no hydrogen 2.713 N/A ARG 128.A NE SER 151.A O no hydrogen 2.900 N/A ARG 128.A NH1 SER 151.A O no hydrogen 3.295 N/A ARG 128.A NH1 GLY 152.A O no hydrogen 3.161 N/A ARG 128.A NH2 ASP 162.A OD2 no hydrogen 3.321 N/A ARG 128.A NH2 TYR 180.A OH no hydrogen 2.921 N/A ASP 129.A N HIS 127.A ND1 no hydrogen 3.021 N/A LYS 131.A NZ GLU 133.A OE2 no hydrogen 2.947 N/A LYS 131.A NZ THR 166.A OG1 no hydrogen 2.781 N/A ASP 132.A N TYR 169.A OH no hydrogen 3.513 N/A ASN 134.A N LYS 131.A O no hydrogen 2.807 N/A ASN 134.A ND2 ASP 129.A O no hydrogen 2.774 N/A ASN 134.A ND2 ASP 129.A OD2 no hydrogen 3.057 N/A ILE 135.A N ASP 132.A O no hydrogen 3.269 N/A LEU 136.A N LYS 145.A O no hydrogen 2.938 N/A ILE 137.A N GLN 89.A O no hydrogen 2.737 N/A ASP 138.A N GLU 143.A O no hydrogen 2.915 N/A LEU 139.A N PRO 87.A O no hydrogen 3.188 N/A ASN 140.A N ASP 138.A OD1 no hydrogen 2.929 N/A ARG 141.A N ASP 138.A OD1 no hydrogen 2.958 N/A ARG 141.A NE GLU 143.A OE2 no hydrogen 3.056 N/A ARG 141.A NH2 GLU 143.A OE2 no hydrogen 3.157 N/A GLY 142.A N ASP 138.A O no hydrogen 2.776 N/A LEU 144.A N GLN 112.A OE1 no hydrogen 2.847 N/A LYS 145.A N LEU 136.A O no hydrogen 2.910 N/A LYS 145.A NZ SER 63.A O no hydrogen 2.767 N/A LEU 146.A N GLY 64.A O no hydrogen 2.829 N/A ILE 147.A N ASN 134.A O no hydrogen 2.876 N/A GLY 150.A N ASP 148.A OD1 no hydrogen 3.065 N/A SER 151.A OG ASP 164.A O no hydrogen 3.396 N/A GLY 152.A N PHE 149.A O no hydrogen 3.018 N/A ALA 153.A N LEU 126.A O no hydrogen 2.924 N/A LEU 155.A N GLY 124.A O no hydrogen 2.790 N/A LYS 156.A N TYR 160.A OH no hydrogen 3.052 N/A LYS 156.A NZ VAL 159.A O no hydrogen 3.233 N/A TYR 160.A N TYR 180.A O no hydrogen 2.780 N/A TYR 160.A OH LEU 154.A O no hydrogen 2.738 N/A THR 166.A N ASP 129.A OD1 no hydrogen 3.069 N/A THR 166.A OG1 ASP 129.A OD1 no hydrogen 2.752 N/A ARG 167.A NE ASP 207.A OD1 no hydrogen 2.953 N/A ARG 167.A NH2 ASP 207.A OD1 no hydrogen 3.550 N/A ARG 167.A NH2 ASP 207.A OD2 no hydrogen 2.953 N/A TYR 169.A N THR 166.A O no hydrogen 3.072 N/A SER 170.A N ARG 167.A O no hydrogen 2.982 N/A SER 170.A OG ARG 167.A O no hydrogen 2.588 N/A GLU 173.A N GLU 173.A OE2 no hydrogen 2.925 N/A TRP 174.A N PRO 171.A O no hydrogen 3.010 N/A ILE 175.A N PRO 171.A O no hydrogen 3.183 N/A ARG 176.A N PRO 172.A O no hydrogen 2.771 N/A ARG 176.A NE TYR 177.A OH no hydrogen 3.359 N/A ARG 176.A NH1 TYR 177.A OH no hydrogen 2.939 N/A TYR 177.A N GLU 173.A O no hydrogen 3.064 N/A HIS 178.A N TRP 174.A O no hydrogen 2.925 N/A HIS 178.A ND1.B THR 161.A O no hydrogen 3.064 N/A HIS 178.A ND1.B HIS 178.A O no hydrogen 3.051 N/A TYR 180.A N TYR 160.A O no hydrogen 3.074 N/A TYR 180.A OH ASP 162.A O no hydrogen 2.551 N/A ARG 183.A NH1.A ASP 157.A OD1 no hydrogen 2.603 N/A SER 184.A OG HIS 181.A O no hydrogen 3.464 N/A ALA 185.A N HIS 181.A O no hydrogen 3.143 N/A ALA 186.A N GLY 182.A O no hydrogen 2.892 N/A VAL 187.A N ARG 183.A O no hydrogen 2.920 N/A TRP 188.A N SER 184.A O no hydrogen 3.299 N/A SER 189.A N ALA 185.A O no hydrogen 3.092 N/A SER 189.A OG ALA 186.A O no hydrogen 2.780 N/A LEU 190.A N ALA 186.A O no hydrogen 2.992 N/A GLY 191.A N VAL 187.A O no hydrogen 2.970 N/A ILE 192.A N TRP 188.A O no hydrogen 3.082 N/A LEU 193.A N SER 189.A O no hydrogen 3.010 N/A LEU 194.A N LEU 190.A O no hydrogen 2.869 N/A TYR 195.A N GLY 191.A O no hydrogen 3.073 N/A TYR 195.A OH PHE 216.A O no hydrogen 2.488 N/A ASP 196.A N ILE 192.A O no hydrogen 2.882 N/A MET 197.A N LEU 193.A O no hydrogen 3.032 N/A MET 197.A N LEU 194.A O no hydrogen 3.066 N/A VAL 198.A N LEU 194.A O no hydrogen 3.065 N/A CYS 199.A N TYR 195.A O no hydrogen 2.795 N/A GLY 200.A N ASP 196.A O no hydrogen 2.983 N/A GLU 205.A N GLU 209.A OE1 no hydrogen 2.801 N/A HIS 206.A N GLU 209.A OE1 no hydrogen 2.807 N/A ILE 210.A N HIS 206.A O no hydrogen 3.143 N/A ILE 211.A N ASP 207.A O no hydrogen 2.961 N/A GLY 212.A N GLU 209.A O no hydrogen 3.133 N/A ARG 218.A NE TYR 195.A OH no hydrogen 3.310 N/A SER 222.A N GLU 103.A OE2 no hydrogen 2.720 N/A SER 222.A OG GLU 103.A OE1 no hydrogen 2.903 N/A SER 222.A OG GLU 103.A OE2 no hydrogen 3.483 N/A CYS 224.A N SER 222.A OG no hydrogen 3.262 N/A GLN 225.A N SER 222.A O no hydrogen 2.984 N/A GLN 225.A NE2 VAL 221.A O no hydrogen 3.162 N/A HIS 226.A ND1 HIS 248.A NE2 no hydrogen 2.679 N/A LEU 227.A N GLU 223.A O no hydrogen 3.061 N/A ILE 228.A N CYS 224.A O no hydrogen 2.992 N/A ARG 229.A N GLN 225.A O no hydrogen 2.894 N/A ARG 229.A NH1 VAL 215.A O no hydrogen 2.901 N/A ARG 229.A NH2 GLN 225.A OE1 no hydrogen 3.257 N/A TRP 230.A N HIS 226.A O no hydrogen 2.831 N/A CYS 231.A N LEU 227.A O no hydrogen 2.888 N/A CYS 231.A SG LEU 227.A O no hydrogen 3.529 N/A LEU 232.A N ILE 228.A O no hydrogen 2.865 N/A ALA 233.A N TRP 230.A O no hydrogen 3.089 N/A ASP 238.A N ARG 235.A O no hydrogen 3.059 N/A ARG 239.A N PRO 236.A O no hydrogen 2.857 N/A ARG 239.A NE ALA 233.A O no hydrogen 2.774 N/A ARG 239.A NH1 GLU 173.A OE1 no hydrogen 2.808 N/A ARG 239.A NH1 SER 184.A O no hydrogen 2.878 N/A ARG 239.A NH2 GLU 173.A OE1 no hydrogen 3.536 N/A ARG 239.A NH2 GLU 173.A OE2 no hydrogen 2.711 N/A ARG 239.A NH2 ALA 233.A O no hydrogen 3.155 N/A ARG 239.A NH2 LEU 234.A O no hydrogen 3.076 N/A THR 241.A N GLU 244.A OE1 no hydrogen 3.036 N/A THR 241.A OG1 GLU 244.A OE1 no hydrogen 3.536 N/A GLU 244.A N THR 241.A OG1 no hydrogen 3.066 N/A ILE 245.A N THR 241.A O no hydrogen 2.958 N/A GLN 246.A N PHE 242.A O no hydrogen 2.905 N/A GLN 246.A NE2 GLU 115.A OE2 no hydrogen 2.958 N/A ASN 247.A N GLU 243.A O no hydrogen 2.810 N/A HIS 248.A N ILE 245.A O no hydrogen 3.124 N/A HIS 248.A NE2 HIS 226.A ND1 no hydrogen 2.679 N/A TRP 250.A N HIS 248.A ND1 no hydrogen 3.046 N/A TRP 250.A NE1 GLU 103.A OE1 no hydrogen 2.690 N/A MET 251.A N HIS 248.A O no hydrogen 2.969 N/A GLN 252.A N PRO 249.A O no hydrogen 3.351 N/A GLN 252.A NE2.A GLN 246.A O no hydrogen 3.013 N/A GLN 252.A NE2.A HIS 248.A O no hydrogen 2.873 N/A LEU 256.A N GLU 259.A OE1 no hydrogen 2.963 N/A GLN 258.A NE2 ASN 140.A O no hydrogen 3.266 N/A THR 260.A N LEU 256.A O no hydrogen 3.025 N/A THR 260.A OG1 SER 108.A OG no hydrogen 2.740 N/A THR 260.A OG1 LEU 256.A O no hydrogen 2.856 N/A ALA 261.A N PRO 257.A O no hydrogen 2.832 N/A GLU 262.A N GLN 258.A O no hydrogen 2.715 N/A ILE 263.A N GLU 259.A O no hydrogen 2.722 N/A HIS 264.A N THR 260.A O no hydrogen 2.870 N/A HIS 264.A NE2 GLU 104.A OE1 no hydrogen 2.955 N/A LEU 265.A N ALA 261.A O no hydrogen 2.903 N/A HIS 266.A N ALA 261.A O no hydrogen 2.815 N/A HIS 266.A NE2 ASN 140.A O no hydrogen 3.088 N/A