Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3lie_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 10.A N ASN 6.A O no hydrogen 2.942 N/A THR 11.A N ASN 7.A O no hydrogen 3.214 N/A THR 11.A OG1 ASN 7.A O no hydrogen 3.020 N/A ALA 12.A N VAL 8.A O no hydrogen 3.170 N/A LYS 13.A N GLU 9.A O no hydrogen 3.172 N/A LYS 13.A NZ GLU 9.A OE1 no hydrogen 3.240 N/A GLU 14.A N ASN 10.A O no hydrogen 2.980 N/A ALA 15.A N THR 11.A O no hydrogen 2.838 N/A LEU 16.A N ALA 12.A O no hydrogen 2.725 N/A HIS 17.A N LYS 13.A O no hydrogen 3.087 N/A GLN 18.A N GLU 14.A O no hydrogen 2.947 N/A GLN 18.A NE2 THR 22.A OG1 no hydrogen 3.084 N/A LEU 19.A N ALA 15.A O no hydrogen 3.108 N/A ALA 20.A N LEU 16.A O no hydrogen 2.954 N/A TYR 21.A N HIS 17.A O no hydrogen 2.951 N/A THR 22.A N GLN 18.A O no hydrogen 3.077 N/A THR 22.A OG1 GLN 18.A O no hydrogen 2.962 N/A GLY 23.A N LEU 19.A O no hydrogen 2.904 N/A ARG 24.A N ALA 20.A O no hydrogen 3.217 N/A ARG 24.A N TYR 21.A O no hydrogen 2.587 N/A GLU 25.A N TYR 21.A O no hydrogen 3.007 N/A TYR 26.A N THR 22.A O no hydrogen 2.987 N/A TYR 26.A OH ASN 171.A OD1 no hydrogen 2.629 N/A ASN 27.A N GLY 23.A O no hydrogen 2.924 N/A ASN 28.A N ARG 24.A O no hydrogen 3.061 N/A ASN 28.A N GLU 25.A O no hydrogen 2.836 N/A ILE 29.A N GLU 25.A O no hydrogen 2.904 N/A GLN 30.A N TYR 26.A O no hydrogen 2.983 N/A GLN 30.A NE2 GLU 34.A OE2 no hydrogen 2.934 N/A ASP 31.A N ASN 27.A O no hydrogen 2.970 N/A GLN 32.A N ASN 28.A O no hydrogen 2.659 N/A ILE 33.A N ILE 29.A O no hydrogen 2.785 N/A GLU 34.A N GLN 30.A O no hydrogen 3.190 N/A THR 35.A N ASP 31.A O no hydrogen 2.917 N/A THR 35.A OG1 ASP 31.A O no hydrogen 2.757 N/A THR 35.A OG1 ASP 31.A OD2 no hydrogen 3.489 N/A ILE 36.A N GLN 32.A O no hydrogen 2.964 N/A SER 37.A N ILE 33.A O no hydrogen 3.096 N/A SER 37.A OG ILE 33.A O no hydrogen 3.033 N/A ASP 38.A N GLU 34.A O no hydrogen 3.041 N/A LEU 39.A N THR 35.A O no hydrogen 3.105 N/A LEU 40.A N ILE 36.A O no hydrogen 2.825 N/A GLY 41.A N SER 37.A O no hydrogen 2.736 N/A HIS 42.A N ASP 38.A O no hydrogen 2.838 N/A HIS 42.A N LEU 39.A O no hydrogen 2.824 N/A HIS 42.A ND1 ASP 38.A O no hydrogen 3.119 N/A SER 43.A N LEU 40.A O no hydrogen 3.027 N/A SER 43.A OG LEU 40.A O no hydrogen 3.210 N/A LEU 46.A N SER 43.A O no hydrogen 3.093 N/A TYR 47.A N SER 43.A O no hydrogen 3.306 N/A ASP 48.A N GLN 44.A O no hydrogen 3.033 N/A TYR 49.A N SER 45.A O no hydrogen 2.998 N/A LEU 50.A N LEU 46.A O no hydrogen 2.777 N/A ARG 51.A N TYR 47.A O no hydrogen 3.093 N/A GLU 52.A N ASP 48.A O no hydrogen 2.981 N/A SER 54.A N GLU 52.A O no hydrogen 3.019 N/A LYS 55.A NZ LYS 55.A O no hydrogen 3.237 N/A ALA 56.A N SER 54.A OG no hydrogen 3.292 N/A ASN 57.A N SER 54.A OG no hydrogen 2.955 N/A ASN 57.A ND2 GLU 52.A O no hydrogen 2.500 N/A THR 59.A N LYS 55.A O no hydrogen 3.354 N/A THR 59.A OG1 LYS 55.A O no hydrogen 2.929 N/A LEU 61.A N ASN 57.A O no hydrogen 3.268 N/A GLU 62.A N LEU 58.A O no hydrogen 2.932 N/A ASN 63.A N THR 59.A O no hydrogen 2.985 N/A MET 64.A N ILE 60.A O no hydrogen 2.831 N/A TRP 65.A N LEU 61.A O no hydrogen 2.774 N/A TRP 65.A NE1 SER 43.A OG no hydrogen 3.101 N/A SER 66.A N GLU 62.A O no hydrogen 2.671 N/A SER 66.A OG GLU 62.A O no hydrogen 3.117 N/A SER 67.A N ASN 63.A O no hydrogen 3.167 N/A SER 67.A N MET 64.A O no hydrogen 2.915 N/A SER 67.A OG ASN 63.A O no hydrogen 2.652 N/A SER 67.A OG MET 64.A O no hydrogen 3.273 N/A VAL 68.A N TRP 65.A O no hydrogen 2.980 N/A ALA 69.A N TRP 65.A O no hydrogen 2.979 N/A ARG 70.A N SER 66.A O no hydrogen 3.008 N/A ARG 70.A NH1 ALA 100.A O no hydrogen 3.306 N/A ASN 71.A N VAL 68.A O no hydrogen 3.230 N/A GLN 72.A N VAL 68.A O no hydrogen 2.889 N/A LYS 73.A N ALA 69.A O no hydrogen 2.991 N/A LYS 76.A N ASN 160.A O no hydrogen 2.781 N/A ILE 78.A N ILE 91.A O no hydrogen 2.875 N/A ARG 79.A N VAL 158.A O no hydrogen 3.027 N/A PHE 80.A N VAL 89.A O no hydrogen 2.975 N/A LEU 81.A N TYR 156.A O no hydrogen 2.897 N/A ASP 82.A N THR 86.A O no hydrogen 2.947 N/A SER 84.A OG ASP 82.A OD1 no hydrogen 2.544 N/A SER 84.A OG ASP 82.A OD2 no hydrogen 3.159 N/A SER 84.A OG THR 86.A OG1 no hydrogen 3.347 N/A GLY 85.A N ASP 82.A O no hydrogen 2.576 N/A THR 86.A N ASP 82.A OD1 no hydrogen 2.695 N/A THR 86.A OG1 SER 84.A OG no hydrogen 3.347 N/A GLU 87.A N ARG 107.A O no hydrogen 3.240 N/A LYS 88.A N PHE 80.A O no hydrogen 2.758 N/A LYS 88.A NZ ASP 82.A OD2 no hydrogen 2.986 N/A VAL 89.A N PHE 80.A O no hydrogen 3.355 N/A ARG 90.A NH1 ILE 105.A O no hydrogen 3.002 N/A ILE 91.A N ILE 78.A O no hydrogen 2.722 N/A LYS 92.A N GLY 101.A O no hydrogen 3.071 N/A TYR 93.A N LYS 76.A O no hydrogen 2.976 N/A ASP 94.A N ILE 99.A O no hydrogen 3.182 N/A LYS 96.A N ASP 94.A OD2 no hydrogen 2.926 N/A THR 97.A N ASP 94.A O no hydrogen 2.978 N/A THR 97.A OG1 ASP 94.A O no hydrogen 3.448 N/A SER 98.A N ASP 94.A O no hydrogen 2.366 N/A SER 98.A OG TYR 93.A OH no hydrogen 3.047 N/A SER 98.A OG PHE 95.A O no hydrogen 3.184 N/A ILE 99.A N THR 97.A OG1 no hydrogen 3.201 N/A GLY 101.A N LYS 92.A O no hydrogen 2.944 N/A SER 103.A N ARG 90.A O no hydrogen 2.964 N/A SER 103.A OG ILE 105.A O no hydrogen 3.415 N/A ILE 105.A N SER 103.A OG no hydrogen 3.113 N/A ARG 107.A N GLU 87.A OE1 no hydrogen 2.610 N/A ARG 107.A NE GLU 87.A OE1 no hydrogen 2.968 N/A ARG 107.A NH2 GLU 87.A OE2 no hydrogen 2.869 N/A LYS 109.A N GLY 85.A O no hydrogen 3.225 N/A SER 110.A N ASP 108.A OD2 no hydrogen 3.284 N/A SER 110.A OG ASP 108.A OD1 no hydrogen 3.108 N/A SER 110.A OG ASP 108.A OD2 no hydrogen 2.873 N/A ARG 112.A N LYS 109.A O no hydrogen 2.969 N/A TYR 117.A N GLU 113.A O no hydrogen 2.978 N/A ALA 118.A N TYR 114.A O no hydrogen 2.685 N/A GLN 119.A N PHE 115.A O no hydrogen 2.744 N/A SER 120.A N LYS 116.A O no hydrogen 3.191 N/A SER 120.A OG TYR 117.A O no hydrogen 2.824 N/A LEU 121.A N GLN 119.A O no hydrogen 2.498 N/A ASP 122.A N GLN 125.A OE1 no hydrogen 2.727 N/A ASN 123.A ND2 ASP 151.A OD1 no hydrogen 2.620 N/A GLU 124.A N PRO 146.A O no hydrogen 2.843 N/A GLN 125.A N ASP 122.A O no hydrogen 3.082 N/A SER 127.A N LEU 144.A O no hydrogen 3.145 N/A SER 127.A OG TYR 117.A OH no hydrogen 3.170 N/A TRP 129.A N ARG 142.A O no hydrogen 2.714 N/A GLU 132.A N SER 140.A O no hydrogen 2.958 N/A SER 138.A OG GLU 164.A OE1 no hydrogen 3.514 N/A SER 140.A N GLU 132.A O no hydrogen 2.717 N/A LEU 141.A N VAL 161.A O no hydrogen 2.920 N/A ARG 142.A N GLY 130.A O no hydrogen 3.391 N/A ILE 143.A N LEU 159.A O no hydrogen 2.842 N/A LEU 144.A N SER 127.A O no hydrogen 2.866 N/A MET 145.A N LEU 157.A O no hydrogen 3.066 N/A ILE 147.A N GLY 155.A O no hydrogen 2.961 N/A SER 148.A N GLU 124.A OE1 no hydrogen 2.991 N/A SER 148.A OG GLU 124.A OE1 no hydrogen 3.215 N/A VAL 149.A N VAL 152.A O no hydrogen 3.119 N/A VAL 152.A N VAL 149.A O no hydrogen 3.211 N/A ARG 153.A NE ASN 123.A OD1 no hydrogen 2.910 N/A ARG 153.A NH1 GLN 119.A O no hydrogen 3.182 N/A ARG 153.A NH1 TYR 156.A OH no hydrogen 3.457 N/A ARG 153.A NH2 LEU 121.A O no hydrogen 2.448 N/A ARG 153.A NH2 ASN 123.A OD1 no hydrogen 2.601 N/A GLN 154.A N ILE 147.A O no hydrogen 2.820 N/A GLN 154.A NE2 ARG 153.A O no hydrogen 3.345 N/A GLY 155.A N ILE 147.A O no hydrogen 3.504 N/A TYR 156.A N LEU 81.A O no hydrogen 2.439 N/A LEU 157.A N MET 145.A O no hydrogen 2.807 N/A VAL 158.A N ARG 79.A O no hydrogen 2.787 N/A LEU 159.A N ILE 143.A O no hydrogen 2.801 N/A ASN 160.A N GLN 77.A O no hydrogen 2.970 N/A ASN 160.A ND2 SER 140.A OG no hydrogen 2.650 N/A VAL 161.A N LEU 141.A O no hydrogen 2.761 N/A ASP 162.A N LEU 74.A O no hydrogen 2.982 N/A TYR 165.A N ASP 162.A OD1 no hydrogen 2.848 N/A LEU 166.A N ASP 162.A O no hydrogen 3.004 N/A SER 167.A N ILE 163.A O no hydrogen 2.847 N/A SER 167.A OG ILE 163.A O no hydrogen 2.857 N/A SER 168.A N GLU 164.A O no hydrogen 3.177 N/A SER 168.A OG TYR 165.A O no hydrogen 3.348 N/A LEU 169.A N LEU 166.A O no hydrogen 2.718 N/A LEU 170.A N LEU 166.A O no hydrogen 2.687 N/A ASN 171.A N SER 167.A O no hydrogen 3.046 N/A TYR 172.A OH ASP 177.A OD1 no hydrogen 2.415 N/A SER 173.A N PHE 178.A O no hydrogen 2.994 N/A SER 173.A OG GLN 18.A OE1 no hydrogen 3.085 N/A ARG 176.A N SER 173.A OG no hydrogen 3.270 N/A ARG 176.A NH1 GLN 18.A OE1 no hydrogen 3.034 N/A ASP 177.A N SER 173.A O no hydrogen 2.551 N/A ILE 180.A N ASN 171.A O no hydrogen 2.759 N/A GLU 181.A N ILE 253.A O no hydrogen 2.661 N/A LEU 182.A N ALA 191.A O no hydrogen 3.144 N/A VAL 183.A N HIS 251.A O no hydrogen 2.794 N/A LYS 184.A N PHE 188.A O no hydrogen 2.896 N/A LYS 184.A NZ ASP 201.A OD2 no hydrogen 2.930 N/A HIS 185.A ND1 HIS 251.A NE2 no hydrogen 2.834 N/A LYS 186.A NZ ASP 201.A OD2 no hydrogen 2.999 N/A GLY 187.A N LYS 184.A O no hydrogen 2.973 N/A ILE 190.A N LEU 182.A O no hydrogen 2.995 N/A SER 192.A OG GLU 181.A OE2 no hydrogen 2.614 N/A SER 192.A OG ASP 194.A O no hydrogen 3.200 N/A ASP 194.A N SER 192.A OG no hydrogen 2.826 N/A SER 196.A N ASP 194.A OD1 no hydrogen 3.097 N/A SER 196.A OG ASP 194.A OD1 no hydrogen 2.690 N/A SER 196.A OG ASP 194.A OD2 no hydrogen 3.435 N/A ARG 197.A N ASP 194.A O no hydrogen 3.468 N/A LEU 198.A N GLU 195.A O no hydrogen 3.048 N/A TYR 199.A N TYR 189.A O no hydrogen 2.803 N/A ILE 202.A N TYR 199.A O no hydrogen 2.902 N/A ILE 203.A N TYR 199.A O no hydrogen 3.007 N/A ARG 206.A N ILE 203.A O no hydrogen 2.734 N/A ARG 206.A NH1 LEU 198.A O no hydrogen 2.640 N/A SER 207.A N PRO 204.A O no hydrogen 3.331 N/A GLN 208.A NE2 GLU 205.A O no hydrogen 3.545 N/A PHE 209.A N ARG 206.A O no hydrogen 2.604 N/A ASN 210.A ND2 LYS 186.A O no hydrogen 3.029 N/A PHE 211.A N GLY 187.A O no hydrogen 2.585 N/A SER 212.A N ASN 210.A OD1 no hydrogen 2.677 N/A SER 212.A OG ASN 210.A OD1 no hydrogen 2.530 N/A ASN 213.A N ASN 210.A O no hydrogen 2.981 N/A MET 214.A N ASN 210.A O no hydrogen 2.877 N/A TYR 215.A N PHE 211.A O no hydrogen 2.891 N/A ILE 218.A N TYR 215.A O no hydrogen 2.848 N/A TRP 219.A N TYR 215.A O no hydrogen 2.875 N/A ARG 221.A N ILE 218.A O no hydrogen 2.758 N/A ARG 221.A NE GLU 225.A OE1 no hydrogen 2.364 N/A ARG 221.A NH1 TYR 229.A O no hydrogen 2.866 N/A ARG 221.A NH2 GLU 225.A OE2 no hydrogen 2.345 N/A VAL 222.A N ILE 218.A O no hydrogen 3.370 N/A VAL 223.A N TRP 219.A O no hydrogen 2.877 N/A SER 224.A N PRO 220.A O no hydrogen 3.165 N/A SER 224.A N ARG 221.A O no hydrogen 2.997 N/A SER 224.A OG PRO 220.A O no hydrogen 2.925 N/A GLU 225.A N ARG 221.A O no hydrogen 2.762 N/A GLY 228.A N PHE 239.A O no hydrogen 3.075 N/A SER 230.A N ILE 237.A O no hydrogen 2.863 N/A SER 232.A N HIS 235.A O no hydrogen 3.056 N/A GLU 234.A N SER 232.A OG no hydrogen 3.358 N/A LEU 236.A N LEU 256.A O no hydrogen 2.779 N/A ILE 237.A N SER 230.A O no hydrogen 2.836 N/A ALA 238.A N ILE 254.A O no hydrogen 2.751 N/A PHE 239.A N GLY 228.A O no hydrogen 2.959 N/A SER 240.A N LEU 252.A O no hydrogen 3.124 N/A SER 241.A N GLN 226.A O no hydrogen 3.086 N/A SER 241.A OG VAL 222.A O no hydrogen 3.435 N/A SER 241.A OG GLU 225.A O no hydrogen 3.207 N/A SER 241.A OG HIS 251.A ND1 no hydrogen 3.130 N/A ILE 242.A N LEU 250.A O no hydrogen 2.877 N/A LYS 243.A NZ ASN 247.A O no hydrogen 2.757 N/A SER 246.A N PHE 244.A O no hydrogen 2.632 N/A GLU 248.A N SER 246.A OG no hydrogen 2.749 N/A LEU 250.A N ILE 242.A O no hydrogen 2.802 N/A HIS 251.A N VAL 183.A O no hydrogen 2.716 N/A HIS 251.A ND1 SER 241.A OG no hydrogen 3.130 N/A HIS 251.A NE2 HIS 185.A ND1 no hydrogen 2.834 N/A LEU 252.A N SER 240.A O no hydrogen 3.224 N/A ILE 253.A N GLU 181.A O no hydrogen 2.715 N/A ILE 254.A N ALA 238.A O no hydrogen 2.882 N/A LEU 256.A N LEU 236.A O no hydrogen 2.828 N/A SER 257.A N GLN 260.A OE1 no hydrogen 2.891 N/A SER 257.A OG GLN 260.A OE1 no hydrogen 3.393 N/A ASN 258.A N GLU 234.A O no hydrogen 2.962 N/A ASN 258.A ND2 TYR 231.A OH no hydrogen 2.178 N/A GLN 260.A N SER 257.A OG no hydrogen 3.365 N/A LEU 261.A N SER 257.A O no hydrogen 2.715 N/A SER 262.A N GLU 259.A O no hydrogen 3.031 N/A SER 262.A OG SER 262.A O no hydrogen 2.286 N/A THR 266.A OG1 THR 266.A O no hydrogen 2.297 N/A