Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4led_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N ASP 243.A OD1 no hydrogen 3.058 N/A SER 3.A OG ASP 243.A OD1 no hydrogen 3.099 N/A SER 3.A OG THR 245.A OG1 no hydrogen 3.072 N/A LEU 4.A N LEU 91.A O no hydrogen 2.966 N/A ALA 5.A N GLN 8.A OE1 no hydrogen 2.804 N/A ARG 7.A N MET 57.A O no hydrogen 2.677 N/A ARG 7.A NE ASP 87.A OD1 no hydrogen 2.859 N/A ARG 7.A NH2 GLU 83.A OE2 no hydrogen 3.454 N/A ARG 7.A NH2 ASP 87.A OD1 no hydrogen 3.187 N/A GLN 8.A N ALA 5.A O no hydrogen 2.887 N/A ILE 10.A N ALA 55.A O no hydrogen 2.790 N/A ARG 11.A N GLN 14.A OE1 no hydrogen 2.870 N/A GLY 13.A N MET 27.A O no hydrogen 2.668 N/A GLN 14.A N ARG 11.A O no hydrogen 2.901 N/A ILE 16.A N LEU 25.A O no hydrogen 2.958 N/A THR 17.A N ALA 1.A O no hydrogen 2.806 N/A SER 18.A N TYR 23.A O no hydrogen 3.024 N/A SER 18.A OG ASN 20.A OD1 no hydrogen 2.633 N/A SER 18.A OG TYR 23.A O no hydrogen 3.526 N/A ASN 20.A N ASP 95.A OD1 no hydrogen 2.944 N/A ASN 20.A ND2 ASP 95.A O no hydrogen 3.285 N/A GLY 21.A N SER 18.A O no hydrogen 2.705 N/A LYS 22.A N ASN 20.A OD1 no hydrogen 2.835 N/A LYS 22.A NZ ASP 38.A OD1 no hydrogen 3.291 N/A LYS 22.A NZ ASP 38.A OD2 no hydrogen 3.284 N/A TYR 23.A N SER 18.A OG no hydrogen 2.984 N/A TYR 23.A OH GLU 37.A OE1 no hydrogen 2.664 N/A LYS 24.A N TYR 36.A O no hydrogen 2.964 N/A LEU 25.A N ILE 16.A O no hydrogen 2.925 N/A VAL 26.A N VAL 34.A O no hydrogen 2.878 N/A MET 27.A N GLN 14.A O no hydrogen 3.027 N/A GLN 28.A N ASN 32.A O no hydrogen 2.975 N/A GLY 31.A N GLN 28.A O no hydrogen 2.718 N/A ASN 32.A N ASP 30.A OD1 no hydrogen 3.034 N/A ASN 32.A ND2 ASN 45.A OD1 no hydrogen 2.748 N/A LEU 33.A N THR 46.A OG1 no hydrogen 3.070 N/A VAL 34.A N VAL 26.A O no hydrogen 2.938 N/A LEU 35.A N TRP 44.A O no hydrogen 2.871 N/A TYR 36.A N LYS 24.A O no hydrogen 2.775 N/A GLU 37.A N LYS 41.A O no hydrogen 2.768 N/A ASP 38.A N LYS 22.A O no hydrogen 2.869 N/A THR 40.A N GLU 37.A O no hydrogen 3.092 N/A LYS 41.A N GLU 37.A O no hydrogen 3.001 N/A ILE 43.A N LEU 35.A O no hydrogen 2.707 N/A THR 46.A N LEU 33.A O no hydrogen 2.945 N/A THR 46.A OG1 ASN 32.A OD1 no hydrogen 2.983 N/A THR 46.A OG1 THR 47.A O no hydrogen 2.926 N/A THR 47.A OG1 THR 46.A O no hydrogen 2.325 N/A VAL 49.A N GLY 31.A O no hydrogen 2.971 N/A GLY 50.A N ASP 30.A O no hydrogen 3.000 N/A LYS 54.A N TYR 64.A O no hydrogen 3.016 N/A ALA 55.A N ILE 10.A O no hydrogen 2.888 N/A VAL 56.A N ASN 62.A O no hydrogen 2.912 N/A MET 57.A N GLN 8.A O no hydrogen 3.040 N/A GLU 58.A N ASN 60.A O no hydrogen 2.739 N/A LEU 61.A N SER 74.A OG no hydrogen 2.721 N/A ASN 62.A N VAL 56.A O no hydrogen 2.956 N/A ASN 62.A ND2 GLU 58.A OE1 no hydrogen 2.793 N/A LEU 63.A N TRP 72.A O no hydrogen 2.841 N/A TYR 64.A N LYS 54.A O no hydrogen 2.716 N/A TYR 64.A OH GLU 58.A OE1 no hydrogen 2.493 N/A ASN 65.A N GLN 69.A O no hydrogen 2.865 N/A ASN 65.A ND2 GLN 69.A OE1 no hydrogen 2.759 N/A LYS 66.A NZ PRO 51.A O no hydrogen 3.456 N/A GLY 68.A N ASN 65.A O no hydrogen 2.886 N/A GLN 69.A N ASN 65.A OD1 no hydrogen 2.851 N/A ALA 71.A N LEU 63.A O no hydrogen 2.625 N/A SER 73.A OG ASN 62.A OD1 no hydrogen 2.486 N/A SER 74.A N LEU 61.A O no hydrogen 2.943 N/A SER 74.A OG ASN 60.A OD1 no hydrogen 2.839 N/A SER 74.A OG LEU 61.A O no hydrogen 3.471 N/A ASN 75.A N SER 73.A OG no hydrogen 3.275 N/A VAL 76.A N ASN 60.A OD1 no hydrogen 2.709 N/A TYR 77.A N SER 227.A OG no hydrogen 3.090 N/A THR 78.A OG1 TYR 80.A O no hydrogen 2.468 N/A GLU 84.A N GLU 84.A OE1 no hydrogen 3.111 N/A PHE 85.A N PHE 82.A O no hydrogen 2.698 N/A LYS 86.A NZ GLU 83.A OE1 no hydrogen 3.022 N/A ASP 87.A N GLU 84.A O no hydrogen 3.015 N/A GLU 88.A N PHE 85.A O no hydrogen 2.970 N/A ALA 89.A N PHE 85.A O no hydrogen 2.880 N/A TYR 90.A N PHE 102.A O no hydrogen 2.884 N/A TYR 90.A OH ASP 104.A OD2 no hydrogen 2.557 N/A LEU 91.A N LEU 4.A O no hydrogen 3.023 N/A ASN 92.A N GLY 100.A O no hydrogen 2.905 N/A ASN 92.A ND2 PRO 246.A O no hydrogen 3.253 N/A LEU 93.A N SER 2.A O no hydrogen 2.729 N/A GLN 94.A N ASP 98.A O no hydrogen 2.992 N/A GLN 94.A NE2 ASP 96.A OD1 no hydrogen 2.779 N/A GLN 94.A NE2 TRP 250.A O no hydrogen 3.434 N/A GLY 97.A N GLN 94.A O no hydrogen 2.835 N/A ASP 98.A N ASP 96.A OD1 no hydrogen 2.959 N/A GLY 100.A N ASN 92.A O no hydrogen 3.044 N/A ILE 101.A N TRP 221.A O no hydrogen 2.785 N/A PHE 102.A N TYR 90.A O no hydrogen 2.820 N/A SER 103.A N THR 218.A O no hydrogen 3.193 N/A LYS 107.A N LEU 214.A O no hydrogen 2.806 N/A SER 110.A N LEU 212.A O no hydrogen 2.781 N/A SER 110.A OG LEU 212.A O no hydrogen 3.377 N/A LYS 121.A N ASN 208.A OD1 no hydrogen 2.808 N/A LYS 123.A N PHE 206.A O no hydrogen 2.920 N/A ILE 125.A N LEU 204.A O no hydrogen 2.877 N/A THR 127.A OG1 ALA 202.A O no hydrogen 2.653 N/A GLY 128.A N VAL 176.A O no hydrogen 2.752 N/A THR 129.A N PRO 126.A O no hydrogen 2.959 N/A THR 129.A OG1 PRO 126.A O no hydrogen 2.546 N/A MET 131.A N ALA 174.A O no hydrogen 2.768 N/A VAL 132.A N THR 135.A OG1 no hydrogen 2.984 N/A GLY 134.A N PHE 146.A O no hydrogen 2.759 N/A THR 135.A N VAL 132.A O no hydrogen 2.797 N/A THR 135.A OG1 VAL 132.A O no hydrogen 2.726 N/A TYR 137.A N LEU 144.A O no hydrogen 2.714 N/A ASN 139.A N TYR 142.A O no hydrogen 2.969 N/A ASN 139.A ND2 LYS 121.A O no hydrogen 2.909 N/A ASN 139.A ND2 PHE 206.A O no hydrogen 2.798 N/A ASN 141.A ND2 ASN 158.A O no hydrogen 2.922 N/A TYR 142.A N ASN 139.A O no hydrogen 3.225 N/A ARG 143.A N TYR 155.A O no hydrogen 2.899 N/A LEU 144.A N TYR 137.A O no hydrogen 2.833 N/A ALA 145.A N VAL 153.A O no hydrogen 2.885 N/A PHE 146.A N THR 135.A O no hydrogen 2.917 N/A GLN 147.A N ASN 151.A O no hydrogen 2.934 N/A GLN 147.A NE2 TYR 155.A OH no hydrogen 2.395 N/A GLY 150.A N GLN 147.A O no hydrogen 2.807 N/A ASN 151.A N ASP 149.A OD1 no hydrogen 2.870 N/A LEU 152.A N THR 166.A OG1 no hydrogen 3.201 N/A VAL 153.A N ALA 145.A O no hydrogen 2.826 N/A ILE 154.A N TRP 164.A O no hydrogen 2.885 N/A TYR 155.A N ARG 143.A O no hydrogen 2.853 N/A GLN 156.A N VAL 161.A O no hydrogen 2.884 N/A GLN 156.A NE2 PRO 159.A O no hydrogen 2.736 N/A ILE 157.A N ASN 141.A O no hydrogen 2.719 N/A ASN 158.A N ASN 141.A OD1 no hydrogen 2.819 N/A VAL 161.A N GLN 156.A O no hydrogen 3.143 N/A ILE 163.A N ILE 154.A O no hydrogen 2.781 N/A TRP 164.A N ILE 154.A O no hydrogen 3.355 N/A THR 166.A N LEU 152.A O no hydrogen 3.064 N/A THR 166.A OG1 ASN 151.A OD1 no hydrogen 3.317 N/A THR 166.A OG1 LEU 152.A O no hydrogen 3.516 N/A THR 166.A OG1 THR 168.A OG1 no hydrogen 2.896 N/A TYR 167.A N ASN 151.A OD1 no hydrogen 2.676 N/A THR 168.A OG1 GLY 150.A O no hydrogen 2.747 N/A THR 168.A OG1 THR 166.A OG1 no hydrogen 2.896 N/A GLY 170.A N ASP 149.A O no hydrogen 2.839 N/A ALA 171.A N THR 168.A O no hydrogen 3.051 N/A ASP 172.A N TYR 185.A O no hydrogen 2.836 N/A ARG 173.A N TYR 185.A O no hydrogen 3.245 N/A ARG 173.A NE GLY 187.A O no hydrogen 3.333 N/A ARG 173.A NH2 GLY 187.A O no hydrogen 2.705 N/A ALA 174.A N MET 131.A O no hydrogen 3.126 N/A VAL 175.A N VAL 183.A O no hydrogen 2.773 N/A VAL 176.A N THR 129.A O no hydrogen 3.098 N/A GLN 177.A N ASN 181.A O no hydrogen 2.817 N/A GLN 177.A NE2 TYR 185.A OH no hydrogen 2.646 N/A GLY 180.A N GLN 177.A O no hydrogen 3.141 N/A ASN 181.A N ASP 179.A OD1 no hydrogen 2.985 N/A ASN 181.A ND2 HIS 193.A ND1 no hydrogen 3.020 N/A PHE 182.A N THR 194.A OG1 no hydrogen 3.131 N/A VAL 183.A N VAL 175.A O no hydrogen 3.146 N/A ILE 184.A N TRP 192.A O no hydrogen 2.889 N/A TYR 185.A N ARG 173.A O no hydrogen 2.671 N/A LYS 186.A N THR 189.A O no hydrogen 2.758 N/A GLY 187.A N ASP 172.A OD2 no hydrogen 2.837 N/A THR 189.A N LYS 186.A O no hydrogen 2.719 N/A LEU 191.A N ILE 184.A O no hydrogen 2.853 N/A THR 194.A N PHE 182.A O no hydrogen 3.069 N/A THR 194.A OG1 ASN 181.A OD1 no hydrogen 2.842 N/A THR 194.A OG1 THR 196.A OG1 no hydrogen 2.676 N/A HIS 195.A N HIS 193.A ND1 no hydrogen 3.095 N/A THR 196.A N ASN 181.A OD1 no hydrogen 3.001 N/A THR 196.A OG1 GLY 180.A O no hydrogen 2.706 N/A THR 196.A OG1 ASN 181.A OD1 no hydrogen 3.398 N/A THR 196.A OG1 THR 194.A OG1 no hydrogen 2.676 N/A THR 198.A N ASP 179.A O no hydrogen 2.856 N/A THR 198.A OG1 MET 200.A O no hydrogen 3.475 N/A THR 198.A OG1 GLN 216.A OE1 no hydrogen 2.476 N/A GLY 199.A N ASP 179.A O no hydrogen 2.589 N/A MET 200.A N THR 198.A OG1 no hydrogen 3.275 N/A ALA 202.A N GLN 177.A O no hydrogen 3.189 N/A TYR 203.A N SER 215.A O no hydrogen 2.970 N/A TYR 203.A OH ASP 104.A OD2 no hydrogen 2.437 N/A LEU 204.A N ILE 125.A O no hydrogen 2.907 N/A LYS 205.A N PHE 213.A O no hydrogen 2.657 N/A LYS 205.A NZ GLU 88.A OE1 no hydrogen 2.765 N/A PHE 206.A N LYS 123.A O no hydrogen 2.949 N/A THR 207.A N LYS 211.A O no hydrogen 2.755 N/A THR 207.A OG1 THR 209.A OG1 no hydrogen 2.629 N/A THR 207.A OG1 LYS 211.A O no hydrogen 3.509 N/A ASN 208.A N LYS 121.A O no hydrogen 3.150 N/A THR 209.A N THR 207.A OG1 no hydrogen 2.964 N/A THR 209.A OG1 GLU 117.A OE1 no hydrogen 2.988 N/A THR 209.A OG1 GLU 117.A OE2 no hydrogen 2.402 N/A THR 209.A OG1 THR 207.A OG1 no hydrogen 2.629 N/A GLY 210.A N THR 207.A O no hydrogen 3.418 N/A LYS 211.A N THR 207.A OG1 no hydrogen 2.992 N/A LYS 211.A NZ GLU 117.A OE1 no hydrogen 2.573 N/A LYS 211.A NZ THR 209.A O no hydrogen 3.120 N/A LYS 211.A NZ THR 209.A OG1 no hydrogen 3.392 N/A LEU 212.A N SER 110.A OG no hydrogen 3.060 N/A PHE 213.A N LYS 205.A O no hydrogen 2.864 N/A LEU 214.A N TRP 108.A O no hydrogen 2.938 N/A SER 215.A N TYR 203.A O no hydrogen 2.963 N/A SER 215.A OG GLU 105.A O.B no hydrogen 3.105 N/A GLN 216.A NE2 GLY 180.A O no hydrogen 3.067 N/A GLN 216.A NE2 THR 196.A O no hydrogen 2.912 N/A THR 218.A N ASP 104.A OD1 no hydrogen 2.811 N/A THR 218.A OG1 GLN 216.A O no hydrogen 3.379 N/A LEU 220.A N ILE 101.A O no hydrogen 2.906 N/A THR 222.A N GLY 226.A O no hydrogen 3.219 N/A THR 222.A OG1 ASP 98.A OD1 no hydrogen 3.210 N/A THR 222.A OG1 ASP 98.A OD2 no hydrogen 2.760 N/A LEU 223.A N PHE 99.A O no hydrogen 2.885 N/A LYS 224.A N ASP 98.A OD1 no hydrogen 3.073 N/A LYS 224.A NZ ASP 96.A O no hydrogen 3.262 N/A ARG 225.A N THR 222.A OG1 no hydrogen 2.875 N/A ARG 225.A NH2 TYR 254.A OH no hydrogen 3.530 N/A LEU 228.A N LEU 220.A O no hydrogen 2.836 N/A ILE 235.A N SER 249.A O no hydrogen 2.993 N/A GLY 237.A N ILE 247.A O no hydrogen 2.686 N/A ASP 243.A N GLY 240.A O no hydrogen 3.127 N/A THR 245.A OG1 SER 3.A OG no hydrogen 3.072 N/A THR 245.A OG1 PRO 246.A O no hydrogen 2.713 N/A TRP 248.A N ASN 92.A OD1 no hydrogen 2.827 N/A TRP 248.A NE1 TYR 90.A OH no hydrogen 2.966 N/A SER 249.A N ILE 235.A O no hydrogen 2.923 N/A TRP 250.A N GLN 94.A OE1 no hydrogen 2.809 N/A TRP 250.A NE1 ASP 98.A OD2 no hydrogen 2.871 N/A