Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4x55_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N ILE 31.A O no hydrogen 2.905 N/A GLY 5.A N LEU 33.A O no hydrogen 2.985 N/A ASN 7.A N GLY 5.A O no hydrogen 2.595 N/A ILE 10.A N ASN 7.A OD1 no hydrogen 2.979 N/A GLN 12.A N GLN 8.A O no hydrogen 3.227 N/A GLN 12.A NE2 GLU 16.A OE2 no hydrogen 3.475 N/A TYR 13.A N VAL 9.A O no hydrogen 3.028 N/A PHE 14.A N ILE 10.A O no hydrogen 3.094 N/A ASP 15.A N HIS 11.A O no hydrogen 3.081 N/A GLU 16.A N GLN 12.A O no hydrogen 2.764 N/A LYS 17.A N PHE 14.A O no hydrogen 3.118 N/A LYS 17.A NZ GLU 231.A OE1 no hydrogen 3.396 N/A LYS 17.A NZ GLU 231.A OE2 no hydrogen 3.338 N/A ASN 18.A N ASP 15.A O no hydrogen 2.905 N/A THR 19.A N PHE 14.A O no hydrogen 3.412 N/A THR 19.A OG1 SER 20.A O no hydrogen 3.519 N/A THR 19.A OG1 GLU 219.A O no hydrogen 2.952 N/A GLY 21.A N ASN 36.A OD1 no hydrogen 2.883 N/A VAL 22.A N ASN 217.A O no hydrogen 2.782 N/A LEU 23.A N TYR 34.A O no hydrogen 2.829 N/A VAL 24.A N ALA 215.A O no hydrogen 2.905 N/A ILE 25.A N ASN 32.A O no hydrogen 2.931 N/A GLN 26.A N ALA 213.A O no hydrogen 2.792 N/A GLN 26.A NE2 ASP 28.A O no hydrogen 3.402 N/A THR 27.A N LYS 30.A O no hydrogen 3.050 N/A LYS 29.A N ASP 28.A OD1 no hydrogen 2.358 N/A LYS 30.A N THR 27.A O no hydrogen 2.950 N/A LYS 30.A N ASP 28.A OD1 no hydrogen 3.128 N/A ILE 31.A N GLN 1.A O no hydrogen 2.891 N/A ASN 32.A N ILE 25.A O no hydrogen 2.928 N/A LEU 33.A N VAL 3.A O no hydrogen 2.882 N/A TYR 34.A N LEU 23.A O no hydrogen 2.931 N/A ASN 36.A N GLY 21.A O no hydrogen 3.162 N/A ASN 36.A ND2 ASP 15.A OD1 no hydrogen 2.820 N/A ASN 36.A ND2 THR 19.A O no hydrogen 2.587 N/A ALA 37.A N GLY 21.A O no hydrogen 3.125 N/A ARG 40.A N ALA 37.A O no hydrogen 2.993 N/A ARG 40.A NE ASN 217.A OD1 no hydrogen 3.090 N/A ARG 40.A NH2 ASN 217.A OD1 no hydrogen 2.744 N/A ALA 41.A N LEU 38.A O no hydrogen 3.042 N/A ASN 42.A N SER 39.A O no hydrogen 3.281 N/A THR 43.A N ARG 40.A O no hydrogen 2.887 N/A THR 43.A OG1 SER 39.A O no hydrogen 2.807 N/A TYR 45.A N VAL 142.A O no hydrogen 2.875 N/A ALA 48.A N TRP 135.A O no hydrogen 2.869 N/A THR 50.A N PRO 47.A O no hydrogen 3.073 N/A THR 50.A OG1 PRO 47.A O no hydrogen 2.739 N/A THR 50.A OG1 GLU 147.A OE1 no hydrogen 3.478 N/A THR 50.A OG1 GLU 147.A OE2 no hydrogen 2.654 N/A PHE 51.A N ALA 48.A O no hydrogen 3.018 N/A ASP 52.A N SER 49.A O no hydrogen 2.793 N/A MET 53.A N THR 50.A O no hydrogen 3.309 N/A ASN 55.A N PHE 51.A O no hydrogen 2.936 N/A ASN 55.A ND2 TYR 101.A O no hydrogen 3.060 N/A ALA 56.A N ASP 52.A O no hydrogen 2.884 N/A LEU 57.A N MET 53.A O no hydrogen 3.081 N/A ILE 58.A N LEU 54.A O no hydrogen 2.970 N/A GLY 59.A N ASN 55.A O no hydrogen 2.733 N/A LEU 60.A N ALA 56.A O no hydrogen 2.849 N/A GLU 61.A N LEU 57.A O no hydrogen 2.855 N/A ASN 62.A N ILE 58.A O no hydrogen 3.176 N/A ASN 62.A ND2 ILE 58.A O no hydrogen 2.797 N/A ASN 62.A ND2 GLU 116.A OE2 no hydrogen 3.227 N/A GLN 63.A N LEU 60.A O no hydrogen 3.075 N/A LYS 64.A N GLY 59.A O no hydrogen 2.906 N/A THR 65.A OG1 ASP 66.A O no hydrogen 3.316 N/A THR 65.A OG1 GLU 69.A OE1 no hydrogen 2.617 N/A ASN 68.A N ASP 66.A OD1 no hydrogen 2.870 N/A GLU 69.A N ASP 66.A O no hydrogen 3.315 N/A PHE 71.A N MET 87.A O no hydrogen 2.798 N/A LYS 72.A NZ ILE 70.A O no hydrogen 3.178 N/A TRP 73.A N ASP 86.A OD1 no hydrogen 2.652 N/A TRP 73.A NE1 GLU 76.A O no hydrogen 2.958 N/A GLU 76.A N GLU 76.A OE1 no hydrogen 2.958 N/A ARG 78.A N GLU 84.A OE2 no hydrogen 2.849 N/A ARG 78.A NE GLU 76.A OE2 no hydrogen 2.935 N/A ARG 78.A NH1 TRP 83.A O no hydrogen 2.559 N/A TRP 83.A N PHE 80.A O no hydrogen 3.301 N/A TRP 83.A NE1 LEU 95.A O no hydrogen 3.071 N/A GLU 84.A N THR 81.A O no hydrogen 3.274 N/A LYS 85.A N TRP 83.A O no hydrogen 2.908 N/A LYS 85.A NZ GLU 91.A OE2 no hydrogen 3.048 N/A MET 87.A N PHE 71.A O no hydrogen 3.003 N/A GLU 91.A N THR 88.A OG1 no hydrogen 3.104 N/A ALA 92.A N THR 88.A O no hydrogen 2.914 N/A MET 93.A N LEU 89.A O no hydrogen 2.779 N/A LYS 94.A N GLY 90.A O no hydrogen 3.235 N/A LYS 94.A NZ GLU 91.A OE2 no hydrogen 3.356 N/A LEU 95.A N GLU 91.A O no hydrogen 3.081 N/A SER 96.A N MET 93.A O no hydrogen 3.172 N/A ALA 97.A N ALA 92.A O no hydrogen 3.081 N/A TYR 101.A N ALA 97.A O no hydrogen 3.432 N/A TYR 101.A OH LEU 89.A O no hydrogen 2.777 N/A GLN 102.A N VAL 98.A O no hydrogen 2.782 N/A GLN 102.A NE2 ASP 132.A O no hydrogen 2.556 N/A GLU 103.A N PRO 99.A O no hydrogen 2.766 N/A LEU 104.A N VAL 100.A O no hydrogen 2.835 N/A ALA 105.A N TYR 101.A O no hydrogen 2.908 N/A ARG 106.A N GLN 102.A O no hydrogen 2.967 N/A ARG 107.A N GLU 103.A O no hydrogen 3.063 N/A ARG 107.A NH1 LYS 64.A O no hydrogen 2.707 N/A ARG 107.A NH1 GLU 69.A OE1 no hydrogen 2.791 N/A ARG 107.A NH1 GLU 69.A OE2 no hydrogen 3.247 N/A ARG 107.A NH2 GLU 69.A OE2 no hydrogen 2.869 N/A ARG 107.A NH2 GLU 103.A OE2 no hydrogen 2.993 N/A ILE 108.A N LEU 104.A O no hydrogen 2.985 N/A GLY 109.A N ALA 105.A O no hydrogen 2.744 N/A MET 113.A N GLY 109.A O no hydrogen 3.220 N/A GLN 114.A N LEU 110.A O no hydrogen 3.066 N/A GLN 114.A NE2 ALA 125.A O no hydrogen 3.376 N/A LYS 115.A N ASP 111.A O no hydrogen 2.932 N/A GLU 116.A N LEU 112.A O no hydrogen 2.784 N/A GLU 116.A N MET 113.A O no hydrogen 3.184 N/A VAL 117.A N MET 113.A O no hydrogen 2.801 N/A LYS 118.A N GLN 114.A O no hydrogen 2.971 N/A ARG 119.A N LYS 115.A O no hydrogen 2.799 N/A ARG 119.A NE GLU 116.A OE1 no hydrogen 3.029 N/A ARG 119.A NH1 PRO 160.A O no hydrogen 2.852 N/A ARG 119.A NH2 GLU 116.A OE1 no hydrogen 2.749 N/A ARG 119.A NH2 PRO 160.A O no hydrogen 2.959 N/A ILE 120.A N GLU 116.A O no hydrogen 2.734 N/A GLY 121.A N VAL 117.A O no hydrogen 2.822 N/A PHE 122.A N VAL 117.A O no hydrogen 3.370 N/A ASN 124.A N LYS 141.A O no hydrogen 2.866 N/A ASN 124.A ND2 PRO 139.A O no hydrogen 3.526 N/A ALA 125.A N PHE 122.A O no hydrogen 2.884 N/A GLU 126.A N ASN 124.A OD1 no hydrogen 2.834 N/A ILE 127.A N GLN 114.A OE1 no hydrogen 3.275 N/A LEU 136.A N ASN 133.A O no hydrogen 3.049 N/A VAL 137.A N ASN 133.A O no hydrogen 3.277 N/A LEU 140.A N PHE 134.A O no hydrogen 3.286 N/A LYS 141.A N ASN 124.A OD1 no hydrogen 3.475 N/A VAL 142.A N TYR 45.A O no hydrogen 2.588 N/A THR 143.A N GLN 146.A OE1 no hydrogen 2.872 N/A ILE 145.A N ALA 41.A O no hydrogen 3.219 N/A GLN 146.A N THR 143.A OG1 no hydrogen 3.075 N/A GLU 147.A N THR 143.A O no hydrogen 3.014 N/A VAL 148.A N PRO 144.A O no hydrogen 3.156 N/A GLU 149.A N ILE 145.A O no hydrogen 3.208 N/A PHE 150.A N GLN 146.A O no hydrogen 2.875 N/A VAL 151.A N GLU 147.A O no hydrogen 2.878 N/A SER 152.A N VAL 148.A O no hydrogen 2.775 N/A GLN 153.A N GLU 149.A O no hydrogen 3.170 N/A LEU 154.A N PHE 150.A O no hydrogen 2.960 N/A ALA 155.A N VAL 151.A O no hydrogen 2.814 N/A HIS 156.A N SER 152.A O no hydrogen 2.981 N/A THR 157.A N LEU 154.A O no hydrogen 2.836 N/A GLN 158.A N GLN 153.A O no hydrogen 2.915 N/A LEU 159.A N GLN 166.A OE1 no hydrogen 3.048 N/A PHE 161.A N LEU 159.A O no hydrogen 2.828 N/A SER 162.A N GLU 61.A OE1 no hydrogen 2.830 N/A VAL 165.A N SER 162.A OG no hydrogen 3.115 N/A GLN 166.A N SER 162.A O no hydrogen 3.067 N/A GLN 166.A NE2 PHE 161.A O no hydrogen 3.111 N/A ALA 167.A N GLU 163.A O no hydrogen 2.948 N/A ASN 168.A N LYS 164.A O no hydrogen 2.809 N/A VAL 169.A N VAL 165.A O no hydrogen 2.981 N/A LYS 170.A N GLN 166.A O no hydrogen 2.811 N/A LYS 170.A NZ ALA 155.A O no hydrogen 2.661 N/A ASN 171.A N ALA 167.A O no hydrogen 2.998 N/A MET 172.A N VAL 169.A O no hydrogen 2.998 N/A LEU 173.A N LYS 170.A O no hydrogen 2.887 N/A LEU 175.A N ILE 183.A O no hydrogen 2.979 N/A SER 178.A N TYR 181.A O no hydrogen 3.081 N/A TYR 181.A N SER 178.A O no hydrogen 3.065 N/A LYS 182.A N GLU 205.A O no hydrogen 2.951 N/A ILE 183.A N GLU 176.A O no hydrogen 3.060 N/A PHE 184.A N TRP 203.A O no hydrogen 2.620 N/A GLY 185.A N LEU 173.A O no hydrogen 2.942 N/A LYS 186.A N THR 201.A O no hydrogen 2.767 N/A LYS 186.A NZ MET 93.A O no hydrogen 3.497 N/A LYS 186.A NZ SER 96.A OG no hydrogen 2.087 N/A LYS 186.A NZ THR 187.A O no hydrogen 3.558 N/A GLY 188.A N TRP 199.A O no hydrogen 3.196 N/A TRP 189.A NE1 GLN 196.A OE1 no hydrogen 2.953 N/A ALA 190.A N VAL 197.A O no hydrogen 3.137 N/A LYS 194.A N ASP 192.A OD1 no hydrogen 3.322 N/A VAL 197.A N ALA 190.A O no hydrogen 3.344 N/A GLY 198.A N MET 218.A O no hydrogen 2.830 N/A TRP 199.A N GLY 188.A O no hydrogen 2.738 N/A TRP 199.A NE1 VAL 46.A O no hydrogen 2.768 N/A LEU 200.A N LEU 216.A O no hydrogen 2.995 N/A THR 201.A N LYS 186.A O no hydrogen 3.122 N/A THR 201.A OG1 GLU 147.A OE1 no hydrogen 2.937 N/A GLY 202.A N PHE 214.A O no hydrogen 2.962 N/A TRP 203.A N PHE 184.A O no hydrogen 2.607 N/A VAL 204.A N VAL 212.A O no hydrogen 2.773 N/A GLU 205.A N LYS 182.A O no hydrogen 2.617 N/A GLN 206.A N LYS 210.A O no hydrogen 2.691 N/A GLN 206.A NE2 ILE 242.A O no hydrogen 2.771 N/A GLY 209.A N GLN 206.A O no hydrogen 2.841 N/A LYS 210.A N ASP 208.A OD1 no hydrogen 3.152 N/A VAL 212.A N VAL 204.A O no hydrogen 2.832 N/A ALA 213.A N GLN 26.A O no hydrogen 2.964 N/A PHE 214.A N GLY 202.A O no hydrogen 2.921 N/A ALA 215.A N VAL 24.A O no hydrogen 2.882 N/A LEU 216.A N LEU 200.A O no hydrogen 2.787 N/A ASN 217.A N VAL 22.A O no hydrogen 2.925 N/A MET 218.A N GLY 198.A O no hydrogen 3.076 N/A GLU 219.A N SER 20.A O no hydrogen 2.988 N/A MET 220.A N GLN 196.A O no hydrogen 2.858 N/A ARG 221.A NH1 ASN 18.A O no hydrogen 3.138 N/A ARG 221.A NH2 ASN 18.A O no hydrogen 3.107 N/A MET 224.A N ARG 221.A O no hydrogen 2.807 N/A ILE 228.A N PRO 225.A O no hydrogen 3.486 N/A ARG 229.A NE ALA 226.A O no hydrogen 3.499 N/A ARG 229.A NH2 TRP 199.A O no hydrogen 3.479 N/A GLU 231.A N SER 227.A O no hydrogen 3.084 N/A LEU 232.A N ILE 228.A O no hydrogen 3.021 N/A LEU 233.A N ARG 229.A O no hydrogen 2.962 N/A MET 234.A N ASN 230.A O no hydrogen 2.896 N/A LYS 235.A N GLU 231.A O no hydrogen 3.008 N/A SER 236.A N LEU 232.A O no hydrogen 3.091 N/A SER 236.A OG LEU 232.A O no hydrogen 2.793 N/A LEU 237.A N LEU 233.A O no hydrogen 2.838 N/A LYS 238.A N MET 234.A O no hydrogen 3.109 N/A GLN 239.A N LYS 235.A O no hydrogen 3.109 N/A GLN 239.A NE2 ASN 7.A OD1 no hydrogen 3.643 N/A LEU 240.A N SER 236.A O no hydrogen 2.995 N/A ASN 241.A N LYS 238.A O no hydrogen 2.734 N/A ILE 242.A N LEU 237.A O no hydrogen 2.950 N/A