Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4a3i_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N SER 21.A O no hydrogen 2.617 N/A LYS 7.A N ILE 19.A O no hydrogen 2.972 N/A ARG 9.A N ASP 17.A O no hydrogen 2.721 N/A GLU 10.A N ASP 17.A O no hydrogen 3.043 N/A SER 12.A OG ASN 15.A O no hydrogen 3.026 N/A ASN 15.A N SER 12.A OG no hydrogen 2.882 N/A VAL 16.A N VAL 230.A O no hydrogen 2.816 N/A ASP 17.A N GLU 10.A O no hydrogen 2.856 N/A PHE 18.A N MET 228.A O no hydrogen 3.290 N/A ILE 19.A N LYS 7.A O no hydrogen 2.882 N/A LEU 20.A N PHE 226.A O no hydrogen 3.057 N/A SER 21.A N GLN 5.A O no hydrogen 2.822 N/A ASN 22.A N ASP 224.A OD2 no hydrogen 3.227 N/A ALA 28.A N ASP 24.A O no hydrogen 3.002 N/A ASN 29.A N LEU 25.A O no hydrogen 2.862 N/A SER 30.A N ALA 26.A O no hydrogen 2.987 N/A SER 30.A OG ALA 26.A O no hydrogen 2.630 N/A LEU 31.A N MET 27.A O no hydrogen 3.009 N/A ARG 32.A N ALA 28.A O no hydrogen 3.068 N/A ARG 33.A N ASN 29.A O no hydrogen 2.760 N/A VAL 34.A N SER 30.A O no hydrogen 2.944 N/A MET 35.A N LEU 31.A O no hydrogen 2.917 N/A ILE 36.A N ARG 32.A O no hydrogen 3.296 N/A ALA 37.A N ARG 33.A O no hydrogen 3.108 N/A GLU 38.A N VAL 34.A O no hydrogen 2.829 N/A THR 41.A N GLY 160.A O no hydrogen 3.127 N/A THR 41.A OG1 ILE 39.A O no hydrogen 3.508 N/A THR 41.A OG1 TRP 168.A O no hydrogen 3.381 N/A ASP 45.A N VAL 156.A O no hydrogen 2.880 N/A SER 46.A N VAL 156.A O no hydrogen 3.312 N/A GLU 48.A N THR 154.A O no hydrogen 2.937 N/A GLU 50.A N LYS 152.A O no hydrogen 2.956 N/A THR 51.A N LYS 152.A O no hydrogen 3.472 N/A ASN 52.A ND2 LEU 56.A O no hydrogen 3.452 N/A THR 53.A N GLU 150.A O no hydrogen 2.867 N/A THR 53.A OG1 GLU 150.A O no hydrogen 3.320 N/A THR 54.A OG1 ASN 52.A OD1 no hydrogen 2.546 N/A THR 54.A OG1 LEU 56.A O no hydrogen 3.289 N/A GLU 59.A N GLU 59.A OE1 no hydrogen 2.814 N/A PHE 60.A N ALA 57.A O no hydrogen 2.771 N/A ILE 61.A N ALA 57.A O no hydrogen 3.362 N/A ALA 62.A N ASP 58.A O no hydrogen 3.212 N/A HIS 63.A N GLU 59.A O no hydrogen 3.105 N/A ARG 64.A N PHE 60.A O no hydrogen 3.089 N/A LEU 65.A N ILE 61.A O no hydrogen 2.950 N/A GLY 66.A N ALA 62.A O no hydrogen 3.432 N/A LEU 67.A N HIS 63.A O no hydrogen 3.457 N/A ILE 68.A N LEU 65.A O no hydrogen 2.905 N/A GLN 71.A N HIS 129.A O no hydrogen 2.648 N/A SER 72.A N SER 235.A O no hydrogen 2.973 N/A MET 73.A N GLN 71.A OE1 no hydrogen 2.790 N/A ASP 74.A N ASN 126.A O no hydrogen 2.947 N/A ILE 75.A N SER 72.A O no hydrogen 3.224 N/A GLN 77.A N ASP 74.A O no hydrogen 2.812 N/A LEU 78.A N ILE 75.A O no hydrogen 3.098 N/A GLU 79.A N LYS 92.A O no hydrogen 2.951 N/A SER 81.A OG ASP 88.A O no hydrogen 3.554 N/A ASP 83.A N TYR 80.A O no hydrogen 2.807 N/A CYS 84.A N TYR 80.A O no hydrogen 3.201 N/A CYS 84.A N SER 81.A O no hydrogen 2.943 N/A CYS 86.A SG ASP 88.A O no hydrogen 3.386 N/A CYS 93.A N CYS 90.A O no hydrogen 2.925 N/A CYS 93.A SG CYS 90.A O no hydrogen 3.740 N/A SER 94.A N CYS 90.A O no hydrogen 2.714 N/A SER 94.A OG CYS 90.A O no hydrogen 2.741 N/A VAL 95.A N ALA 157.A O no hydrogen 3.063 N/A VAL 96.A N SER 120.A OG no hydrogen 2.928 N/A LEU 97.A N CYS 155.A O no hydrogen 2.963 N/A THR 98.A N VAL 117.A O no hydrogen 2.727 N/A THR 98.A OG1 GLN 100.A OE1 no hydrogen 3.285 N/A THR 98.A OG1 LEU 153.A O no hydrogen 3.211 N/A LEU 99.A N LEU 153.A O no hydrogen 3.303 N/A ALA 101.A N LEU 151.A O no hydrogen 2.816 N/A GLY 103.A N GLN 149.A O no hydrogen 3.123 N/A GLU 104.A N PHE 102.A O no hydrogen 2.833 N/A SER 105.A OG SER 107.A O no hydrogen 2.879 N/A SER 105.A OG THR 108.A O no hydrogen 3.207 N/A SER 105.A OG THR 109.A OG1 no hydrogen 2.475 N/A THR 109.A N LEU 145.A O no hydrogen 3.024 N/A THR 109.A OG1 SER 105.A OG no hydrogen 2.475 N/A VAL 111.A N CYS 143.A O no hydrogen 3.005 N/A TYR 112.A N ASP 115.A OD2 no hydrogen 2.904 N/A SER 113.A N VAL 140.A O no hydrogen 2.763 N/A LYS 114.A N ASN 138.A O no hydrogen 3.234 N/A LYS 114.A NZ ASN 138.A OD1 no hydrogen 2.787 N/A ASP 115.A N TYR 112.A O no hydrogen 2.904 N/A LEU 116.A N SER 113.A O no hydrogen 3.406 N/A VAL 117.A N THR 98.A O no hydrogen 2.925 N/A VAL 119.A N VAL 96.A O no hydrogen 2.743 N/A SER 120.A N VAL 96.A O no hydrogen 3.456 N/A SER 120.A OG SER 94.A O no hydrogen 3.471 N/A MET 123.A N ASN 121.A OD1 no hydrogen 3.134 N/A ARG 125.A N LEU 122.A O no hydrogen 3.042 N/A ARG 125.A NE LEU 122.A O no hydrogen 2.619 N/A ARG 125.A NH1 GLN 77.A O no hydrogen 2.757 N/A ARG 125.A NH2 ASP 91.A O no hydrogen 2.673 N/A ASN 126.A N ASP 74.A OD2 no hydrogen 2.776 N/A GLY 128.A N GLN 71.A O no hydrogen 2.924 N/A ILE 131.A N PRO 69.A O no hydrogen 3.024 N/A GLU 136.A N GLU 136.A OE1 no hydrogen 2.754 N/A GLY 137.A N ASP 134.A O no hydrogen 3.225 N/A ASN 138.A N ASP 134.A OD1 no hydrogen 3.041 N/A VAL 140.A N SER 113.A OG no hydrogen 2.998 N/A ILE 142.A N VAL 111.A O no hydrogen 2.633 N/A CYS 143.A SG LYS 144.A O no hydrogen 3.622 N/A LEU 145.A N THR 109.A O no hydrogen 2.759 N/A GLN 149.A N LYS 147.A O no hydrogen 2.565 N/A GLN 149.A NE2 THR 53.A O no hydrogen 3.333 N/A GLU 150.A N THR 53.A OG1 no hydrogen 2.894 N/A LEU 151.A N ALA 101.A O no hydrogen 3.051 N/A LYS 152.A N THR 51.A O no hydrogen 2.877 N/A LYS 152.A NZ GLU 50.A OE1 no hydrogen 3.439 N/A LEU 153.A N LEU 99.A O no hydrogen 2.848 N/A THR 154.A N GLU 48.A O no hydrogen 2.886 N/A CYS 155.A N LEU 97.A O no hydrogen 2.731 N/A VAL 156.A N SER 46.A O no hydrogen 3.012 N/A ALA 157.A N VAL 95.A O no hydrogen 2.911 N/A LYS 158.A N ALA 43.A O no hydrogen 3.138 N/A LYS 158.A NZ ASP 88.A OD1 no hydrogen 3.208 N/A LYS 159.A NZ ILE 75.A O no hydrogen 3.192 N/A LYS 159.A NZ LEU 78.A O no hydrogen 3.184 N/A LYS 163.A N ALA 37.A O no hydrogen 3.133 N/A LYS 163.A NZ GLU 38.A OE2 no hydrogen 3.454 N/A GLU 164.A N ILE 161.A O no hydrogen 2.900 N/A LYS 167.A N HIS 165.A ND1 no hydrogen 3.185 N/A LYS 167.A NZ ILE 44.A O no hydrogen 2.829 N/A LYS 167.A NZ ASP 45.A OD1 no hydrogen 2.600 N/A TRP 168.A N HIS 165.A O no hydrogen 3.174 N/A GLY 169.A N ALA 166.A O no hydrogen 3.199 N/A ALA 172.A N GLU 231.A O no hydrogen 2.927 N/A GLU 175.A N ASN 229.A O no hydrogen 3.220 N/A GLU 177.A N TYR 227.A O no hydrogen 3.105 N/A TYR 178.A OH HIS 186.A ND1 no hydrogen 2.768 N/A TRP 181.A NE1 GLU 208.A O no hydrogen 2.943 N/A LYS 183.A N ASP 179.A OD1 no hydrogen 3.409 N/A LYS 183.A N TRP 181.A O no hydrogen 2.390 N/A LYS 183.A NZ ASP 209.A O no hydrogen 2.767 N/A LEU 184.A N ASP 179.A OD2 no hydrogen 2.702 N/A HIS 186.A N ASN 182.A OD1 no hydrogen 2.792 N/A HIS 186.A ND1 TYR 178.A OH no hydrogen 2.768 N/A GLU 192.A N GLU 198.A OE1 no hydrogen 2.683 N/A GLN 193.A N GLU 198.A OE2 no hydrogen 2.812 N/A ASP 194.A N GLU 198.A OE2 no hydrogen 2.787 N/A ALA 196.A N ASP 194.A OD1 no hydrogen 2.815 N/A LYS 197.A N ASP 194.A OD1 no hydrogen 3.053 N/A LYS 197.A NZ ASP 194.A OD2 no hydrogen 3.017 N/A GLU 198.A N ASP 194.A O no hydrogen 2.921 N/A TRP 199.A N SER 195.A O no hydrogen 3.104 N/A TRP 199.A NE1 TRP 190.A O no hydrogen 2.744 N/A SER 202.A OG GLU 177.A OE2 no hydrogen 3.055 N/A LYS 203.A NZ ASP 17.A OD2 no hydrogen 3.298 N/A CYS 205.A SG SER 202.A O no hydrogen 3.375 N/A CYS 205.A SG SER 202.A OG no hydrogen 3.700 N/A GLU 206.A N LYS 203.A O no hydrogen 3.263 N/A GLU 208.A N CYS 205.A O no hydrogen 3.324 N/A ASN 212.A ND2 ASP 215.A OD2 no hydrogen 2.974 N/A GLY 214.A N GLU 213.A OE1 no hydrogen 2.795 N/A ASP 215.A N ASN 212.A O no hydrogen 3.183 N/A THR 225.A OG1 ASP 224.A OD2 no hydrogen 3.160 N/A PHE 226.A N LEU 20.A O no hydrogen 2.765 N/A TYR 227.A N GLU 177.A O no hydrogen 2.874 N/A MET 228.A N PHE 18.A O no hydrogen 3.113 N/A ASN 229.A N GLU 175.A O no hydrogen 2.862 N/A ASN 229.A ND2 ASN 15.A OD1 no hydrogen 3.284 N/A ASN 229.A ND2 ASN 229.A O no hydrogen 2.657 N/A VAL 230.A N VAL 16.A O no hydrogen 3.209 N/A SER 232.A N ASP 14.A O no hydrogen 2.775 N/A SER 232.A OG PRO 170.A O no hydrogen 3.408 N/A SER 232.A OG ILE 236.A O no hydrogen 2.526 N/A VAL 233.A N PRO 170.A O no hydrogen 3.105 N/A GLY 234.A N SER 232.A OG no hydrogen 3.287 N/A SER 235.A OG PRO 170.A O no hydrogen 3.565 N/A ILE 236.A N SER 235.A OG no hydrogen 2.713 N/A VAL 241.A N PRO 237.A O no hydrogen 3.283 N/A VAL 242.A N VAL 238.A O no hydrogen 3.468 N/A VAL 243.A N ASP 239.A O no hydrogen 2.791 N/A ARG 244.A N GLN 240.A O no hydrogen 2.727 N/A ARG 244.A NE GLN 240.A OE1 no hydrogen 3.195 N/A ARG 244.A NH1 MET 73.A O no hydrogen 2.821 N/A ARG 244.A NH2 MET 73.A O no hydrogen 2.784 N/A GLY 245.A N VAL 241.A O no hydrogen 3.002 N/A ILE 246.A N VAL 242.A O no hydrogen 2.830 N/A ASP 247.A N VAL 243.A O no hydrogen 2.956 N/A THR 248.A N ARG 244.A O no hydrogen 2.769 N/A THR 248.A OG1 ARG 244.A O no hydrogen 2.512 N/A LEU 249.A N GLY 245.A O no hydrogen 3.325 N/A GLN 250.A N ILE 246.A O no hydrogen 3.185 N/A LYS 251.A N ASP 247.A O no hydrogen 2.739 N/A LYS 252.A N THR 248.A O no hydrogen 2.801 N/A LYS 252.A NZ GLU 38.A OE1 no hydrogen 2.997 N/A VAL 253.A N LEU 249.A O no hydrogen 3.228 N/A ALA 254.A N GLN 250.A O no hydrogen 2.882 N/A SER 255.A N LYS 251.A O no hydrogen 3.130 N/A SER 255.A OG LYS 252.A O no hydrogen 2.639 N/A ILE 256.A N VAL 253.A O no hydrogen 2.945 N/A LEU 257.A N VAL 253.A O no hydrogen 3.476 N/A LEU 258.A N ALA 254.A O no hydrogen 3.115 N/A ALA 259.A N SER 255.A O no hydrogen 3.071 N/A LEU 260.A N ILE 256.A O no hydrogen 2.799 N/A THR 261.A N LEU 257.A O no hydrogen 3.314 N/A THR 261.A N LEU 258.A O no hydrogen 2.909 N/A THR 261.A OG1 LEU 257.A O no hydrogen 2.841 N/A GLN 262.A N ALA 259.A O no hydrogen 3.410 N/A GLN 265.A N GLN 262.A O no hydrogen 3.280 N/A GLN 265.A NE2 THR 261.A O no hydrogen 3.255 N/A