Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6qw2_A.pdb H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N ASN 2.A OD1 no hydrogen 3.210 N/A GLU 6.A N ASN 2.A O no hydrogen 3.328 N/A GLU 7.A N ALA 3.A O no hydrogen 3.129 N/A PHE 8.A N GLN 4.A O no hydrogen 3.339 N/A LYS 9.A N ALA 5.A O no hydrogen 2.708 N/A LYS 10.A N GLU 6.A O no hydrogen 2.727 N/A TYR 11.A N GLU 7.A O no hydrogen 2.609 N/A TYR 11.A OH LEU 105.A O no hydrogen 2.875 N/A LEU 12.A N PHE 8.A O no hydrogen 2.679 N/A GLU 13.A N LYS 9.A O no hydrogen 2.790 N/A THR 14.A N LYS 10.A O no hydrogen 2.727 N/A THR 14.A OG1 LYS 10.A O no hydrogen 2.543 N/A ASN 15.A N LEU 12.A O no hydrogen 3.286 N/A ASN 15.A ND2 TYR 11.A O no hydrogen 2.597 N/A GLY 16.A N GLU 13.A O no hydrogen 2.681 N/A LYS 20.A N ALA 94.A O no hydrogen 2.973 N/A PHE 22.A N ALA 92.A O no hydrogen 2.800 N/A HIS 23.A N GLU 26.A OE1 no hydrogen 2.864 N/A LYS 24.A N GLU 90.A O no hydrogen 3.095 N/A LYS 24.A NZ GLU 173.A OE2 no hydrogen 2.685 N/A LYS 25.A N VAL 87.A O no hydrogen 3.036 N/A GLU 26.A N HIS 23.A O no hydrogen 2.910 N/A ILE 28.A N LEU 85.A O no hydrogen 2.790 N/A GLN 31.A N ASN 84.A OD1 no hydrogen 2.567 N/A TRP 32.A N ASN 30.A OD1 no hydrogen 2.874 N/A ASP 33.A N ASN 30.A OD1 no hydrogen 2.802 N/A GLN 35.A N ASP 33.A OD1 no hydrogen 2.860 N/A GLN 35.A NE2 GLU 36.A O no hydrogen 2.928 N/A TYR 37.A N SER 71.A OG no hydrogen 2.920 N/A CYS 38.A N ILE 97.A O no hydrogen 2.561 N/A ILE 39.A N ILE 69.A O no hydrogen 2.843 N/A PHE 40.A N TYR 95.A O no hydrogen 2.892 N/A TYR 42.A N THR 93.A O no hydrogen 2.964 N/A TYR 42.A OH GLU 6.A OE1 no hydrogen 3.343 N/A TYR 42.A OH GLU 6.A OE2 no hydrogen 2.599 N/A ASP 43.A N THR 93.A O no hydrogen 3.180 N/A ILE 45.A N SER 89.A OG no hydrogen 3.080 N/A THR 46.A N TYR 63.A O no hydrogen 2.850 N/A THR 46.A OG1 TYR 63.A O no hydrogen 3.460 N/A LYS 47.A N GLU 86.A O no hydrogen 2.921 N/A LYS 47.A NZ ASN 59.A OD1 no hydrogen 3.448 N/A LEU 48.A N GLN 61.A O no hydrogen 2.640 N/A THR 49.A N ASN 84.A O no hydrogen 2.876 N/A SER 50.A N MET 58.A O no hydrogen 3.141 N/A GLY 55.A N SER 52.A O no hydrogen 3.375 N/A MET 58.A N SER 50.A O no hydrogen 3.022 N/A ASN 59.A ND2 TYR 62.A OH no hydrogen 3.294 N/A LEU 60.A N LEU 48.A O no hydrogen 2.894 N/A TYR 63.A N THR 46.A O no hydrogen 2.928 N/A TYR 63.A OH GLN 123.A OE1 no hydrogen 2.915 N/A GLY 65.A N GLY 44.A O no hydrogen 3.056 N/A PHE 67.A N LEU 41.A O no hydrogen 2.964 N/A ILE 69.A N ILE 39.A O no hydrogen 2.891 N/A SER 71.A N TYR 37.A O no hydrogen 3.056 N/A SER 71.A OG GLU 36.A OE1 no hydrogen 2.605 N/A SER 71.A OG TYR 37.A O no hydrogen 3.195 N/A PHE 73.A N THR 78.A O no hydrogen 2.868 N/A ASP 75.A N ASP 75.A OD1 no hydrogen 2.554 N/A THR 76.A OG1 THR 78.A OG1 no hydrogen 2.718 N/A GLU 77.A N PHE 73.A O no hydrogen 2.817 N/A THR 78.A N THR 76.A OG1 no hydrogen 3.242 N/A THR 78.A OG1 THR 76.A OG1 no hydrogen 2.718 N/A VAL 80.A N SER 71.A O no hydrogen 3.138 N/A GLY 81.A N SER 79.A OG no hydrogen 2.827 N/A ASN 84.A N THR 49.A O no hydrogen 2.809 N/A ASN 84.A ND2 GLN 31.A OE1 no hydrogen 2.803 N/A ASN 84.A ND2 THR 49.A O no hydrogen 3.476 N/A LEU 85.A N PHE 29.A O no hydrogen 3.067 N/A GLU 86.A N LYS 47.A O no hydrogen 2.951 N/A VAL 87.A N GLU 26.A O no hydrogen 2.903 N/A ILE 88.A N ILE 45.A O no hydrogen 2.779 N/A SER 89.A N ILE 45.A O no hydrogen 3.207 N/A SER 89.A OG ILE 45.A O no hydrogen 3.493 N/A SER 89.A OG GLN 91.A O no hydrogen 2.823 N/A ALA 92.A N PHE 22.A O no hydrogen 2.936 N/A THR 93.A N ASP 43.A O no hydrogen 2.928 N/A THR 93.A OG1 GLN 21.A OE1 no hydrogen 2.779 N/A ALA 94.A N LYS 20.A O no hydrogen 3.162 N/A TYR 95.A N PHE 40.A O no hydrogen 3.270 N/A TYR 95.A OH GLU 13.A OE2 no hydrogen 3.426 N/A ILE 97.A N CYS 38.A O no hydrogen 3.005 N/A LEU 102.A N LYS 98.A O no hydrogen 2.742 N/A LYS 103.A N ILE 99.A O no hydrogen 3.157 N/A LYS 103.A NZ ILE 74.A O no hydrogen 2.593 N/A LYS 103.A NZ GLU 77.A OE2 no hydrogen 3.172 N/A LEU 105.A N GLU 101.A O no hydrogen 3.421 N/A LEU 106.A N LEU 102.A O no hydrogen 2.844 N/A SER 107.A N LYS 103.A O no hydrogen 2.765 N/A SER 107.A OG LYS 103.A O no hydrogen 2.600 N/A LYS 108.A N LEU 105.A O no hydrogen 3.086 N/A THR 111.A N ASN 109.A OD1 no hydrogen 3.130 N/A THR 111.A OG1 ASN 109.A OD1 no hydrogen 3.403 N/A HIS 112.A N ASN 109.A O no hydrogen 3.059 N/A PHE 113.A N ASN 109.A O no hydrogen 3.465 N/A PHE 114.A N LEU 110.A O no hydrogen 3.017 N/A TYR 115.A N THR 111.A O no hydrogen 3.353 N/A VAL 116.A N HIS 112.A O no hydrogen 3.189 N/A PHE 117.A N PHE 113.A O no hydrogen 2.762 N/A GLN 118.A N PHE 114.A O no hydrogen 2.736 N/A THR 119.A N TYR 115.A O no hydrogen 3.155 N/A THR 119.A OG1 TYR 115.A O no hydrogen 2.376 N/A LEU 120.A N VAL 116.A O no hydrogen 3.182 N/A GLN 121.A N PHE 117.A O no hydrogen 3.166 N/A LYS 122.A N GLN 118.A O no hydrogen 3.066 N/A LYS 122.A NZ ALA 228.A O no hydrogen 3.373 N/A GLN 123.A N THR 119.A O no hydrogen 3.294 N/A VAL 124.A N LEU 120.A O no hydrogen 2.895 N/A SER 125.A N.A GLN 121.A O no hydrogen 2.929 N/A SER 125.A N.B GLN 121.A O no hydrogen 2.925 N/A SER 125.A OG.A GLN 121.A O no hydrogen 3.122 N/A SER 125.A OG.A LYS 122.A O no hydrogen 2.921 N/A SER 125.A OG.B GLN 121.A O no hydrogen 3.381 N/A TYR 126.A N LYS 122.A O no hydrogen 2.851 N/A SER 127.A N GLN 123.A O no hydrogen 3.221 N/A SER 127.A OG GLN 123.A O no hydrogen 3.131 N/A LEU 128.A N VAL 124.A O no hydrogen 3.214 N/A ALA 129.A N SER 125.A O.A no hydrogen 2.967 N/A ALA 129.A N SER 125.A O.B no hydrogen 2.943 N/A LYS 130.A N TYR 126.A O no hydrogen 2.932 N/A PHE 131.A N SER 127.A O no hydrogen 2.964 N/A ASN 132.A N LEU 128.A O no hydrogen 2.750 N/A ASP 133.A N ALA 129.A O no hydrogen 2.918 N/A PHE 134.A N LYS 130.A O no hydrogen 3.075 N/A SER 135.A N PHE 131.A O no hydrogen 2.936 N/A SER 135.A OG PHE 131.A O no hydrogen 3.182 N/A ILE 136.A N ASN 132.A O no hydrogen 3.183 N/A ILE 136.A N ASP 133.A O no hydrogen 2.940 N/A ASN 137.A N ASP 133.A O no hydrogen 2.738 N/A ASN 137.A ND2 TYR 217.A O no hydrogen 3.502 N/A GLY 138.A N PHE 134.A O no hydrogen 2.642 N/A GLY 141.A N ASN 137.A O no hydrogen 2.981 N/A SER 142.A N GLY 138.A O no hydrogen 3.135 N/A SER 142.A OG GLY 138.A O no hydrogen 3.379 N/A ILE 143.A N LYS 139.A O no hydrogen 2.960 N/A CYS 144.A N LEU 140.A O no hydrogen 3.056 N/A CYS 144.A SG LEU 140.A O no hydrogen 3.351 N/A GLY 145.A N GLY 141.A O no hydrogen 3.061 N/A GLN 146.A N SER 142.A O no hydrogen 2.856 N/A LEU 147.A N ILE 143.A O no hydrogen 2.788 N/A LEU 148.A N CYS 144.A O no hydrogen 2.763 N/A LEU 148.A N GLY 145.A O no hydrogen 3.169 N/A ILE 149.A N GLY 145.A O no hydrogen 3.139 N/A LEU 150.A N GLN 146.A O no hydrogen 3.451 N/A THR 151.A N LEU 147.A O no hydrogen 2.977 N/A THR 151.A OG1 LEU 147.A O no hydrogen 2.703 N/A TYR 152.A N LEU 148.A O no hydrogen 3.047 N/A TYR 152.A OH ASP 222.A OD1 no hydrogen 2.734 N/A VAL 153.A N ILE 149.A O no hydrogen 2.969 N/A TYR 154.A N LEU 150.A O no hydrogen 3.030 N/A GLY 155.A N THR 151.A O no hydrogen 2.751 N/A LYS 156.A N LYS 163.A O no hydrogen 3.024 N/A THR 158.A N GLY 161.A O no hydrogen 2.810 N/A THR 158.A OG1 GLY 161.A O no hydrogen 2.616 N/A ASP 160.A N THR 158.A OG1 no hydrogen 3.359 N/A GLY 161.A N THR 158.A O no hydrogen 3.003 N/A ILE 162.A N VAL 208.A O no hydrogen 3.100 N/A LYS 163.A N LYS 156.A O no hydrogen 2.930 N/A ILE 164.A N PHE 206.A O no hydrogen 3.080 N/A THR 165.A N TYR 154.A O no hydrogen 3.083 N/A THR 165.A OG1 TYR 154.A O no hydrogen 2.790 N/A LEU 166.A N ILE 164.A O no hydrogen 2.904 N/A ASN 168.A ND2 SER 204.A O no hydrogen 2.773 N/A MET 171.A N ASP 167.A O no hydrogen 2.870 N/A GLN 172.A N ASN 168.A O no hydrogen 3.288 N/A GLU 173.A N LEU 169.A O no hydrogen 3.010 N/A LEU 174.A N MET 171.A O no hydrogen 3.028 N/A GLY 175.A N GLN 172.A O no hydrogen 3.036 N/A SER 187.A N SER 183.A O no hydrogen 3.100 N/A SER 187.A OG SER 183.A O no hydrogen 2.920 N/A ARG 188.A N SER 184.A O no hydrogen 3.078 N/A ILE 189.A N ALA 185.A O no hydrogen 3.284 N/A ILE 190.A N VAL 186.A O no hydrogen 2.932 N/A SER 191.A N SER 187.A O no hydrogen 3.093 N/A SER 191.A OG SER 187.A O no hydrogen 3.034 N/A LYS 192.A N ARG 188.A O no hydrogen 3.014 N/A LEU 193.A N ILE 189.A O no hydrogen 3.085 N/A LYS 194.A N ILE 190.A O no hydrogen 2.911 N/A GLN 195.A N.A SER 191.A O no hydrogen 2.720 N/A GLN 195.A N.B SER 191.A O no hydrogen 2.721 N/A GLU 196.A N LYS 192.A O no hydrogen 2.924 N/A LYS 197.A N LYS 194.A O no hydrogen 3.055 N/A VAL 198.A N LEU 193.A O no hydrogen 3.022 N/A VAL 200.A N TYR 207.A O no hydrogen 2.625 N/A LYS 202.A N CYS 205.A O no hydrogen 2.780 N/A CYS 205.A N LYS 202.A O no hydrogen 3.002 N/A CYS 205.A SG ASN 203.A O no hydrogen 3.448 N/A TYR 207.A N VAL 200.A O no hydrogen 2.719 N/A VAL 208.A N ILE 162.A O no hydrogen 2.924 N/A GLN 209.A N VAL 198.A O no hydrogen 2.710 N/A GLN 209.A NE2 ASP 160.A O no hydrogen 3.164 N/A ASN 210.A N VAL 198.A O no hydrogen 3.218 N/A TYR 213.A N ASN 210.A O no hydrogen 3.109 N/A TYR 213.A N ASN 210.A OD1 no hydrogen 3.391 N/A LYS 215.A N LEU 211.A O no hydrogen 3.019 N/A LYS 215.A NZ ASP 222.A OD1 no hydrogen 3.501 N/A LYS 215.A NZ ASP 222.A OD2 no hydrogen 2.518 N/A LYS 215.A NZ ASN 237.A OD1 no hydrogen 2.914 N/A ARG 216.A N ASP 212.A O no hydrogen 2.757 N/A ARG 216.A NE TYR 217.A OH no hydrogen 3.492 N/A TYR 217.A N TYR 213.A O no hydrogen 3.225 N/A TYR 217.A N LEU 214.A O no hydrogen 3.274 N/A GLY 218.A N LEU 214.A O no hydrogen 2.832 N/A LYS 220.A N ASP 133.A OD1 no hydrogen 2.877 N/A LEU 221.A N ASP 133.A OD2 no hydrogen 2.956 N/A ASP 222.A N GLY 218.A O no hydrogen 2.945 N/A GLU 223.A N PRO 219.A O no hydrogen 2.939 N/A TRP 224.A N LYS 220.A O no hydrogen 3.118 N/A TRP 224.A NE1 LYS 122.A O no hydrogen 3.184 N/A TRP 224.A NE1 SER 125.A OG.A no hydrogen 2.590 N/A PHE 225.A N LEU 221.A O no hydrogen 3.070 N/A TYR 226.A N ASP 222.A O no hydrogen 3.241 N/A LEU 227.A N GLU 223.A O no hydrogen 2.898 N/A ALA 228.A N TRP 224.A O no hydrogen 2.729 N/A CYS 229.A N PHE 225.A O no hydrogen 2.595 N/A TRP 233.A N CYS 229.A O no hydrogen 2.970 N/A TRP 233.A NE1 ASP 222.A OD1 no hydrogen 2.909 N/A GLY 234.A N PRO 230.A O no hydrogen 3.121 N/A GLY 234.A N ALA 231.A O no hydrogen 3.153 N/A LYS 235.A N THR 232.A O no hydrogen 3.146 N/A LEU 236.A N TRP 233.A O no hydrogen 3.407 N/A ASN 237.A N GLY 234.A O no hydrogen 3.330 N/A ASN 237.A ND2 TYR 152.A OH no hydrogen 3.283 N/A ASN 237.A ND2 TRP 233.A O no hydrogen 2.785 N/A