Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pos_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N ASN 219.A OD1 no hydrogen 2.768 N/A TYR 7.A N ILE 217.A O no hydrogen 2.901 N/A PHE 8.A N ILE 217.A O no hydrogen 3.346 N/A LYS 9.A NZ TYR 223.A OH no hydrogen 2.708 N/A GLU 10.A N PHE 215.A O no hydrogen 3.019 N/A PHE 12.A N GLU 10.A OE2 no hydrogen 2.944 N/A GLY 17.A N ASP 14.A O no hydrogen 3.041 N/A THR 19.A N ASP 16.A O no hydrogen 3.170 N/A THR 19.A OG1 ASP 16.A O no hydrogen 3.164 N/A SER 20.A N GLY 17.A O no hydrogen 3.427 N/A SER 20.A OG GLY 17.A O no hydrogen 3.167 N/A ARG 21.A N TRP 18.A O no hydrogen 2.943 N/A ARG 21.A NE GLU 10.A OE1 no hydrogen 2.893 N/A ARG 21.A NH1 ASP 14.A OD1 no hydrogen 3.561 N/A ARG 21.A NH1 ASP 14.A OD2 no hydrogen 2.828 N/A ARG 21.A NH2 GLU 10.A OE2 no hydrogen 2.983 N/A ARG 21.A NH2 ASP 14.A OD1 no hydrogen 2.789 N/A TRP 22.A N TRP 18.A O no hydrogen 3.204 N/A TRP 22.A NE1 GLU 10.A OE1 no hydrogen 2.931 N/A ILE 23.A N SER 63.A O no hydrogen 2.770 N/A SER 25.A N ALA 61.A O no hydrogen 2.967 N/A SER 25.A OG THR 105.A O no hydrogen 3.515 N/A SER 25.A OG MET 107.A O no hydrogen 2.539 N/A LYS 26.A N THR 105.A O no hydrogen 2.715 N/A LYS 26.A NZ GLU 24.A O no hydrogen 3.388 N/A HIS 27.A N SER 25.A OG no hydrogen 3.084 N/A HIS 27.A ND1 ASP 106.A OD1 no hydrogen 2.690 N/A GLY 32.A N PHE 59.A O no hydrogen 2.733 N/A VAL 35.A N GLN 52.A O no hydrogen 2.992 N/A SER 37.A N GLY 50.A O no hydrogen 3.010 N/A SER 38.A OG GLU 45.A O no hydrogen 2.967 N/A GLY 39.A N SER 37.A OG no hydrogen 3.108 N/A LYS 40.A N GLU 85.A OE2 no hydrogen 2.744 N/A ASP 44.A N ASP 48.A OD2 no hydrogen 2.781 N/A GLU 46.A N ASP 44.A OD2 no hydrogen 2.941 N/A LYS 47.A N ASP 44.A OD2 no hydrogen 2.897 N/A ASP 48.A N ASP 44.A O no hydrogen 2.896 N/A LYS 49.A N GLU 46.A O no hydrogen 3.293 N/A GLY 50.A N SER 37.A O no hydrogen 3.016 N/A LEU 51.A N PHE 212.A O no hydrogen 2.876 N/A GLN 52.A N VAL 35.A O no hydrogen 2.784 N/A GLN 52.A NE2 GLY 209.A O no hydrogen 2.892 N/A THR 53.A N THR 210.A O no hydrogen 2.944 N/A THR 53.A OG1 GLN 205.A OE1 no hydrogen 2.660 N/A SER 54.A N LYS 33.A O no hydrogen 3.220 N/A SER 54.A OG LYS 33.A O no hydrogen 2.639 N/A GLN 55.A N TYR 60.A OH no hydrogen 2.828 N/A ALA 57.A N VAL 206.A O no hydrogen 2.851 N/A ARG 58.A N GLN 205.A O no hydrogen 3.105 N/A ARG 58.A NH1 ASP 30.A O no hydrogen 3.056 N/A TYR 60.A N LEU 203.A O no hydrogen 2.745 N/A TYR 60.A OH GLN 55.A O no hydrogen 2.476 N/A LEU 62.A N LEU 201.A O no hydrogen 3.053 N/A SER 63.A N ILE 23.A O no hydrogen 3.012 N/A SER 63.A OG GLN 104.A OE1 no hydrogen 2.934 N/A ALA 64.A N LEU 199.A O no hydrogen 2.828 N/A SER 65.A OG.B GLY 197.A O no hydrogen 3.467 N/A PHE 66.A N GLY 197.A O no hydrogen 2.925 N/A PHE 69.A N PHE 196.A O no hydrogen 3.022 N/A SER 70.A OG TYR 193.A O no hydrogen 2.766 N/A ASN 71.A ND2 TYR 191.A O no hydrogen 2.863 N/A LYS 72.A N SER 70.A OG no hydrogen 3.059 N/A GLY 73.A N TYR 191.A OH no hydrogen 2.670 N/A GLN 74.A N ASN 71.A O no hydrogen 2.833 N/A LEU 76.A N VAL 161.A O no hydrogen 2.779 N/A VAL 77.A N THR 218.A O no hydrogen 2.800 N/A VAL 78.A N.A LEU 159.A O no hydrogen 2.962 N/A VAL 78.A N.B LEU 159.A O no hydrogen 2.913 N/A GLN 79.A N LEU 216.A O no hydrogen 2.877 N/A GLN 79.A NE2 ALA 224.A O no hydrogen 3.085 N/A PHE 80.A N TYR 157.A O no hydrogen 3.121 N/A THR 81.A N ASP 213.A O no hydrogen 2.794 N/A THR 81.A OG1 ASP 213.A O no hydrogen 3.080 N/A VAL 82.A N HIS 155.A O no hydrogen 3.012 N/A LYS 83.A N ILE 211.A O no hydrogen 2.788 N/A LYS 83.A NZ PHE 41.A O no hydrogen 2.531 N/A LYS 83.A NZ GLU 85.A OE1 no hydrogen 2.804 N/A HIS 84.A ND1 THR 210.A OG1 no hydrogen 2.717 N/A GLN 86.A N GLN 86.A OE1 no hydrogen 2.682 N/A GLN 86.A NE2 LYS 207.A O no hydrogen 2.911 N/A GLN 86.A NE2 THR 210.A OG1 no hydrogen 2.911 N/A ASN 87.A N HIS 84.A O no hydrogen 3.120 N/A CYS 90.A N ASP 89.A OD1 no hydrogen 2.738 N/A CYS 90.A SG ILE 121.A O no hydrogen 3.873 N/A GLY 91.A N ILE 121.A O no hydrogen 2.729 N/A GLY 92.A N TRP 204.A O no hydrogen 2.886 N/A GLY 93.A N PRO 119.A O no hydrogen 2.859 N/A VAL 95.A N PHE 117.A O no hydrogen 2.865 N/A LYS 96.A N GLY 200.A O no hydrogen 2.966 N/A LYS 96.A NZ ASP 202.A OD2 no hydrogen 2.852 N/A LEU 97.A N ILE 115.A O no hydrogen 2.725 N/A PHE 98.A N VAL 198.A O no hydrogen 2.762 N/A ASN 100.A N ASN 195.A OD1 no hydrogen 2.751 N/A LEU 102.A N PRO 99.A O no hydrogen 3.094 N/A THR 105.A N ASP 103.A OD1 no hydrogen 3.077 N/A THR 105.A OG1 ASP 103.A OD1 no hydrogen 2.733 N/A THR 105.A OG1 ASP 103.A OD2 no hydrogen 3.437 N/A ASP 106.A N ASP 103.A O no hydrogen 2.972 N/A MET 107.A N GLN 104.A O no hydrogen 3.441 N/A HIS 108.A N SER 111.A OG no hydrogen 2.912 N/A HIS 108.A ND1 ASP 106.A O no hydrogen 2.873 N/A SER 111.A N HIS 108.A O no hydrogen 2.944 N/A SER 111.A OG HIS 108.A ND1 no hydrogen 3.412 N/A SER 111.A OG HIS 108.A O no hydrogen 3.210 N/A ASN 114.A N LEU 97.A O no hydrogen 2.742 N/A ASN 114.A ND2 ASN 195.A O no hydrogen 2.831 N/A ILE 115.A N LEU 97.A O no hydrogen 3.289 N/A MET 116.A N.A ILE 132.A O no hydrogen 2.979 N/A MET 116.A N.B ILE 132.A O no hydrogen 2.991 N/A PHE 117.A N VAL 95.A O no hydrogen 2.890 N/A GLY 118.A N HIS 130.A O no hydrogen 3.113 N/A ASP 120.A N LYS 128.A O no hydrogen 2.791 N/A ILE 121.A N GLY 91.A O no hydrogen 3.179 N/A CYS 122.A N THR 126.A O no hydrogen 2.952 N/A GLY 123.A N ASP 89.A O no hydrogen 2.923 N/A THR 126.A N GLY 123.A O no hydrogen 3.316 N/A LYS 127.A NZ ASP 150.A OD2 no hydrogen 2.834 N/A LYS 128.A N ASP 120.A O no hydrogen 3.049 N/A VAL 129.A N ILE 146.A O no hydrogen 2.814 N/A HIS 130.A N GLY 118.A O no hydrogen 2.840 N/A ILE 132.A N MET 116.A O.A no hydrogen 2.908 N/A ILE 132.A N MET 116.A O.B no hydrogen 2.861 N/A PHE 133.A N VAL 140.A O no hydrogen 3.141 N/A ASN 134.A N ASN 114.A O no hydrogen 2.841 N/A ASN 134.A ND2 ASN 139.A OD1 no hydrogen 2.922 N/A TYR 135.A N LYS 138.A O no hydrogen 2.741 N/A LYS 138.A N TYR 135.A O no hydrogen 2.974 N/A VAL 140.A N PHE 133.A O no hydrogen 2.932 N/A ILE 142.A N VAL 131.A O no hydrogen 3.108 N/A ASN 143.A N ASP 184.A O no hydrogen 2.691 N/A ASN 143.A ND2 ASP 183.A O no hydrogen 3.506 N/A ASN 143.A ND2 ASP 186.A OD2 no hydrogen 3.558 N/A LYS 144.A NZ GLU 177.A OE2 no hydrogen 2.739 N/A LYS 144.A NZ ASP 184.A OD2 no hydrogen 2.884 N/A CYS 148.A N LYS 127.A O no hydrogen 3.075 N/A CYS 148.A SG ASP 120.A O no hydrogen 3.965 N/A CYS 148.A SG LYS 128.A O no hydrogen 3.860 N/A CYS 148.A SG LYS 149.A O no hydrogen 3.648 N/A LYS 149.A N TYR 157.A OH no hydrogen 2.979 N/A GLU 152.A N GLU 152.A OE1 no hydrogen 2.699 N/A PHE 153.A N ASP 151.A OD1 no hydrogen 3.117 N/A THR 154.A N GLU 239.A OE1 no hydrogen 2.803 N/A THR 154.A OG1 GLU 239.A OE1 no hydrogen 3.562 N/A THR 154.A OG1 GLU 239.A OE2 no hydrogen 2.556 N/A HIS 155.A N VAL 82.A O no hydrogen 3.009 N/A HIS 155.A ND1 ASP 172.A OD1 no hydrogen 3.222 N/A HIS 155.A ND1 ASP 172.A OD2 no hydrogen 2.722 N/A HIS 155.A NE2 ASP 151.A OD1 no hydrogen 2.688 N/A LEU 156.A N ASP 172.A OD1 no hydrogen 2.865 N/A TYR 157.A N PHE 80.A O no hydrogen 2.936 N/A THR 158.A N LYS 170.A O no hydrogen 2.957 N/A THR 158.A OG1 GLN 79.A OE1 no hydrogen 2.826 N/A LEU 159.A N VAL 78.A O.A no hydrogen 2.907 N/A LEU 159.A N VAL 78.A O.B no hydrogen 2.847 N/A ILE 160.A N GLU 168.A O no hydrogen 2.846 N/A VAL 161.A N LEU 76.A O no hydrogen 2.772 N/A ARG 162.A N THR 166.A O no hydrogen 2.835 N/A ARG 162.A NE GLU 221.A OE2 no hydrogen 2.605 N/A ARG 162.A NH1 THR 166.A OG1 no hydrogen 3.231 N/A ARG 162.A NH2 GLU 168.A OE1 no hydrogen 2.813 N/A ARG 162.A NH2 GLU 221.A OE1 no hydrogen 3.134 N/A ARG 162.A NH2 GLU 221.A OE2 no hydrogen 3.486 N/A ASN 165.A N ARG 162.A O no hydrogen 3.021 N/A THR 166.A OG1 ASP 164.A OD1 no hydrogen 2.649 N/A THR 166.A OG1 ASP 164.A OD2 no hydrogen 3.568 N/A TYR 167.A N GLY 179.A O no hydrogen 3.081 N/A TYR 167.A OH ASP 184.A OD2 no hydrogen 2.603 N/A GLU 168.A N ILE 160.A O no hydrogen 2.930 N/A VAL 169.A N GLU 177.A O no hydrogen 2.776 N/A LYS 170.A N THR 158.A O no hydrogen 2.884 N/A ILE 171.A N SER 174.A O no hydrogen 3.020 N/A ASP 172.A N LEU 156.A O no hydrogen 2.825 N/A ASN 173.A ND2 GLU 225.A O no hydrogen 2.960 N/A ASN 173.A ND2 ASN 229.A OD1 no hydrogen 2.855 N/A SER 174.A N ILE 171.A O no hydrogen 3.099 N/A VAL 176.A N VAL 169.A O no hydrogen 2.839 N/A GLU 177.A N VAL 169.A O no hydrogen 3.287 N/A SER 178.A N GLU 177.A OE2 no hydrogen 3.101 N/A GLY 179.A N TYR 167.A O no hydrogen 3.300 N/A SER 180.A OG ASN 165.A O no hydrogen 3.282 N/A LEU 181.A N ASN 165.A O no hydrogen 2.825 N/A ASP 183.A N SER 180.A O no hydrogen 3.227 N/A ASP 184.A N SER 180.A O no hydrogen 2.981 N/A TRP 185.A NE1 VAL 131.A O no hydrogen 3.005 N/A ALA 192.A N SER 189.A O no hydrogen 3.002 N/A TYR 193.A N ASN 71.A OD1 no hydrogen 2.825 N/A TYR 193.A OH ASN 134.A O no hydrogen 2.811 N/A PHE 196.A N PHE 69.A O no hydrogen 2.868 N/A GLY 197.A N PHE 98.A O no hydrogen 2.826 N/A VAL 198.A N PHE 98.A O no hydrogen 3.163 N/A LEU 199.A N ALA 64.A O no hydrogen 2.841 N/A GLY 200.A N LYS 96.A O no hydrogen 2.808 N/A LEU 201.A N LEU 62.A O no hydrogen 2.804 N/A LEU 203.A N TYR 60.A O no hydrogen 3.075 N/A GLN 205.A N ARG 58.A O no hydrogen 3.139 N/A GLN 205.A NE2 GLY 92.A O no hydrogen 2.848 N/A GLN 205.A NE2 THR 210.A OG1 no hydrogen 2.951 N/A VAL 206.A N CYS 90.A O no hydrogen 2.849 N/A LYS 207.A N ASP 89.A OD1 no hydrogen 3.072 N/A LYS 207.A NZ GLN 86.A O no hydrogen 3.241 N/A LYS 207.A NZ ASN 87.A O no hydrogen 2.930 N/A SER 208.A N ASP 56.A OD1 no hydrogen 2.875 N/A SER 208.A OG ASP 56.A OD1 no hydrogen 2.639 N/A GLY 209.A N THR 53.A OG1 no hydrogen 2.866 N/A THR 210.A N THR 53.A OG1 no hydrogen 3.116 N/A THR 210.A OG1 HIS 84.A ND1 no hydrogen 2.717 N/A ILE 211.A N LYS 83.A O no hydrogen 2.758 N/A PHE 212.A N LEU 51.A O no hydrogen 2.832 N/A ASP 213.A N THR 81.A O no hydrogen 3.107 N/A ASN 214.A N ASP 213.A OD1 no hydrogen 2.761 N/A PHE 215.A N GLU 10.A O no hydrogen 2.846 N/A LEU 216.A N GLN 79.A O no hydrogen 2.786 N/A ILE 217.A N PHE 8.A O no hydrogen 2.910 N/A THR 218.A N VAL 77.A O no hydrogen 2.988 N/A THR 218.A OG1 ALA 5.A O no hydrogen 2.725 N/A ASN 219.A N ALA 5.A O no hydrogen 3.288 N/A ASN 219.A ND2 GLN 74.A OE1 no hydrogen 3.226 N/A TYR 223.A N ASP 220.A OD1 no hydrogen 2.832 N/A ALA 224.A N ASP 220.A O no hydrogen 3.129 N/A GLU 225.A N GLU 221.A O no hydrogen 2.984 N/A GLU 226.A N ALA 222.A O no hydrogen 3.015 N/A PHE 227.A N TYR 223.A O no hydrogen 2.796 N/A GLY 228.A N ALA 224.A O no hydrogen 2.762 N/A ASN 229.A N GLU 225.A O no hydrogen 3.010 N/A GLU 230.A N GLU 226.A O no hydrogen 2.929 N/A THR 231.A N GLY 228.A O no hydrogen 3.352 N/A THR 231.A OG1 PHE 227.A O no hydrogen 2.796 N/A THR 231.A OG1 GLY 228.A O no hydrogen 3.330 N/A GLY 233.A N GLY 228.A O no hydrogen 3.103 N/A VAL 234.A N THR 231.A O no hydrogen 3.127 N/A THR 235.A N THR 231.A O no hydrogen 3.085 N/A THR 235.A OG1 ASP 48.A OD1 no hydrogen 2.677 N/A THR 235.A OG1 THR 231.A O no hydrogen 3.113 N/A LYS 236.A N TRP 232.A O no hydrogen 2.988 N/A GLU 239.A N THR 235.A O no hydrogen 2.985 N/A LYS 240.A N LYS 236.A O no hydrogen 3.192 N/A LYS 240.A NZ ASP 244.A OD2 no hydrogen 3.489 N/A GLN 241.A N ALA 237.A O no hydrogen 2.955 N/A GLN 241.A NE2 ALA 237.A O no hydrogen 3.375 N/A MET 242.A N ALA 238.A O no hydrogen 2.976 N/A LYS 243.A N GLU 239.A O no hydrogen 3.064 N/A LYS 243.A NZ GLU 152.A OE2 no hydrogen 2.753 N/A LYS 243.A NZ ASP 247.A OD1 no hydrogen 3.045 N/A LYS 243.A NZ ASP 247.A OD2 no hydrogen 2.989 N/A ASP 244.A N LYS 240.A O no hydrogen 2.938 N/A LYS 245.A N GLN 241.A O no hydrogen 2.965 N/A GLN 246.A N MET 242.A O no hydrogen 3.068 N/A GLN 246.A NE2 LYS 40.A O no hydrogen 2.927 N/A ASP 247.A N LYS 243.A O no hydrogen 2.810 N/A GLU 248.A N ASP 244.A O no hydrogen 3.341 N/A