Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xwr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N THR 80.A O no hydrogen 2.812 N/A SER 4.A OG SER 6.A O no hydrogen 3.120 N/A SER 4.A OG THR 121.A O no hydrogen 2.697 N/A SER 6.A N SER 4.A OG no hydrogen 3.307 N/A LYS 11.A N SER 9.A OG no hydrogen 3.105 N/A TYR 13.A N ARG 177.A O no hydrogen 2.918 N/A GLY 18.A N GLY 15.A O no hydrogen 3.355 N/A PHE 19.A N GLN 14.A O no hydrogen 2.845 N/A ARG 20.A N TRP 56.A O no hydrogen 2.921 N/A ARG 20.A NH1 GLY 18.A O no hydrogen 2.969 N/A ARG 20.A NH1 ASP 58.A OD1 no hydrogen 3.037 N/A GLY 22.A N GLN 54.A O no hydrogen 2.878 N/A VAL 32.A N ALA 29.A O no hydrogen 3.037 N/A THR 35.A N PHE 44.A O no hydrogen 2.806 N/A THR 35.A OG1 GLY 27.A O no hydrogen 2.682 N/A TYR 36.A OH ASN 41.A OD1 no hydrogen 2.674 N/A SER 37.A N LYS 42.A O no hydrogen 2.762 N/A SER 37.A OG GLU 196.A OE2 no hydrogen 2.525 N/A LEU 40.A N SER 37.A OG no hydrogen 3.078 N/A ASN 41.A N PRO 38.A O no hydrogen 3.250 N/A ASN 41.A ND2 SER 179.A O no hydrogen 3.128 N/A LYS 42.A N SER 37.A O no hydrogen 3.109 N/A LYS 42.A NZ GLU 181.A OE2 no hydrogen 2.974 N/A LYS 42.A NZ GLU 195.A OE1 no hydrogen 2.826 N/A LYS 42.A NZ GLU 195.A OE2 no hydrogen 3.471 N/A MET 43.A N GLU 181.A O no hydrogen 2.743 N/A PHE 44.A N THR 35.A O no hydrogen 2.783 N/A CYS 45.A N ARG 183.A O no hydrogen 2.896 N/A CYS 45.A SG ARG 183.A O no hydrogen 3.911 N/A GLN 46.A NE2 VAL 32.A O no hydrogen 3.383 N/A GLN 46.A NE2 THR 33.A O no hydrogen 3.478 N/A ALA 48.A N TYR 146.A O no hydrogen 2.792 N/A LYS 49.A N GLN 46.A O no hydrogen 3.223 N/A LYS 49.A NZ GLN 46.A OE1 no hydrogen 2.843 N/A THR 50.A OG1 GLU 108.A OE2 no hydrogen 2.611 N/A CYS 51.A N TYR 144.A O no hydrogen 2.831 N/A CYS 51.A SG.A LYS 49.A O no hydrogen 3.691 N/A VAL 53.A N ILE 142.A O no hydrogen 2.944 N/A GLN 54.A N GLY 22.A O no hydrogen 2.784 N/A LEU 55.A N THR 140.A O no hydrogen 2.643 N/A TRP 56.A N ARG 20.A O no hydrogen 2.910 N/A TRP 56.A NE1 GLN 54.A OE1 no hydrogen 2.952 N/A ASP 58.A N TYR 17.A O no hydrogen 2.704 N/A SER 59.A N TYR 17.A O no hydrogen 3.399 N/A THR 65.A N PRO 62.A O no hydrogen 3.313 N/A THR 65.A OG1 PRO 62.A O no hydrogen 2.576 N/A ARG 66.A N GLU 168.A O no hydrogen 2.820 N/A ARG 66.A NH1 GLU 114.A OE1 no hydrogen 2.938 N/A ARG 66.A NH2 GLU 114.A OE1 no hydrogen 3.563 N/A ARG 66.A NH2 GLU 114.A OE2 no hydrogen 3.071 N/A VAL 67.A N VAL 128.A O no hydrogen 2.790 N/A ARG 68.A N THR 166.A O no hydrogen 2.832 N/A ARG 68.A NE GLU 168.A OE1 no hydrogen 2.919 N/A ARG 68.A NH1 SER 125.A OG no hydrogen 2.956 N/A ARG 68.A NH2 GLU 168.A OE1 no hydrogen 3.559 N/A ARG 68.A NH2 GLU 168.A OE2 no hydrogen 2.948 N/A ALA 69.A N VAL 126.A O no hydrogen 2.847 N/A MET 70.A N ILE 164.A O no hydrogen 3.098 N/A ILE 72.A N LEU 162.A O no hydrogen 2.913 N/A LYS 74.A N PRO 160.A O no hydrogen 2.973 N/A LYS 74.A NZ GLU 181.A OE1 no hydrogen 3.131 N/A GLN 77.A N GLN 77.A OE1 no hydrogen 2.951 N/A HIS 78.A N GLN 75.A O no hydrogen 2.897 N/A MET 79.A N SER 76.A O no hydrogen 3.185 N/A GLU 81.A N HIS 78.A O no hydrogen 3.000 N/A ARG 84.A NH1 GLN 102.A OE1 no hydrogen 2.933 N/A ARG 85.A N GLN 102.A O no hydrogen 2.932 N/A ARG 85.A NE MET 147.A O no hydrogen 3.016 N/A ARG 85.A NH1 ASP 94.A OD1 no hydrogen 3.364 N/A ARG 85.A NH1 PRO 101.A O no hydrogen 3.127 N/A ARG 85.A NH2 ASP 94.A OD2 no hydrogen 2.457 N/A ARG 85.A NH2 MET 147.A O no hydrogen 3.058 N/A CYS 86.A SG HIS 89.A ND1 no hydrogen 3.456 N/A GLU 90.A N CYS 86.A O no hydrogen 2.801 N/A ARG 91.A N PRO 87.A O no hydrogen 3.101 N/A ARG 91.A N HIS 88.A O no hydrogen 3.301 N/A CYS 92.A N HIS 89.A O no hydrogen 3.157 N/A CYS 92.A SG HIS 89.A O no hydrogen 3.349 N/A GLY 97.A N SER 95.A OG no hydrogen 3.040 N/A LEU 98.A N ASP 96.A OD1 no hydrogen 2.845 N/A ALA 99.A N ASP 96.A OD1 no hydrogen 2.843 N/A GLN 102.A NE2 GLU 90.A OE2 no hydrogen 3.207 N/A HIS 103.A N PRO 100.A O no hydrogen 3.135 N/A HIS 103.A NE2 ASP 117.A OD1 no hydrogen 2.825 N/A ARG 106.A N ASN 145.A O no hydrogen 2.883 N/A ARG 106.A NH1 ASP 94.A O no hydrogen 3.023 N/A ARG 106.A NH2 ASP 94.A OD1 no hydrogen 2.927 N/A VAL 107.A N TYR 115.A OH no hydrogen 3.103 N/A GLU 108.A N HIS 143.A O no hydrogen 2.982 N/A ARG 112.A N ASN 110.A OD1 no hydrogen 2.950 N/A VAL 113.A N ASN 110.A O no hydrogen 3.199 N/A GLU 114.A N VAL 127.A O no hydrogen 2.865 N/A LEU 116.A N SER 125.A O no hydrogen 2.966 N/A ASP 118.A N ARG 123.A O no hydrogen 2.910 N/A ASN 120.A N ASP 118.A OD1 no hydrogen 2.879 N/A THR 121.A N ASP 118.A OD1 no hydrogen 2.947 N/A PHE 122.A N ASP 118.A O no hydrogen 2.814 N/A ARG 123.A N THR 121.A OG1 no hydrogen 3.298 N/A ARG 123.A NH1 MET 79.A O no hydrogen 3.296 N/A ARG 123.A NH2 SER 6.A O no hydrogen 2.883 N/A ARG 123.A NH2 MET 79.A O no hydrogen 2.784 N/A SER 125.A N LEU 116.A O no hydrogen 3.060 N/A VAL 126.A N ALA 69.A O no hydrogen 3.038 N/A VAL 127.A N GLU 114.A O no hydrogen 2.781 N/A VAL 128.A N VAL 67.A O no hydrogen 3.005 N/A TYR 130.A N THR 65.A O no hydrogen 2.776 N/A SER 137.A N GLU 134.A O no hydrogen 2.747 N/A SER 137.A OG CYS 139.A O no hydrogen 3.275 N/A THR 140.A N LEU 55.A O no hydrogen 2.950 N/A THR 140.A OG1 GLU 131.A O no hydrogen 2.624 N/A ILE 142.A N VAL 53.A O no hydrogen 2.851 N/A TYR 144.A N CYS 51.A O no hydrogen 3.023 N/A ASN 145.A N ARG 106.A O no hydrogen 2.855 N/A ASN 145.A ND2 LYS 49.A O no hydrogen 3.209 N/A ASN 145.A ND2 GLU 108.A OE2 no hydrogen 2.915 N/A ASN 145.A ND2 TYR 144.A O no hydrogen 2.787 N/A TYR 146.A OH THR 163.A OG1 no hydrogen 2.694 N/A MET 147.A N LEU 104.A O no hydrogen 2.877 N/A CYS 148.A SG HIS 89.A ND1 no hydrogen 3.619 N/A CYS 148.A SG MET 147.A O no hydrogen 3.578 N/A SER 150.A N VAL 184.A O no hydrogen 2.934 N/A SER 150.A OG VAL 184.A O no hydrogen 3.538 N/A CYS 152.A N ASN 149.A O no hydrogen 3.019 N/A CYS 152.A SG HIS 89.A ND1 no hydrogen 3.540 N/A GLY 155.A N CYS 152.A O no hydrogen 3.130 N/A ASN 157.A N CYS 152.A O no hydrogen 2.803 N/A ARG 158.A N SER 150.A O no hydrogen 2.536 N/A ARG 159.A N MET 156.A O no hydrogen 2.987 N/A ARG 159.A NE MET 156.A O no hydrogen 2.914 N/A ARG 159.A NH1 HIS 78.A ND1 no hydrogen 3.310 N/A ARG 159.A NH1 GLU 81.A OE1 no hydrogen 2.703 N/A ARG 159.A NH2 GLU 81.A OE2 no hydrogen 3.014 N/A ARG 159.A NH2 GLY 155.A O no hydrogen 3.005 N/A LEU 162.A N ILE 72.A O no hydrogen 2.818 N/A THR 163.A N PHE 180.A O no hydrogen 2.823 N/A THR 163.A OG1 TYR 146.A OH no hydrogen 2.694 N/A ILE 164.A N MET 70.A O no hydrogen 2.751 N/A ILE 165.A N ASN 178.A O no hydrogen 2.790 N/A THR 166.A N ARG 68.A O no hydrogen 2.840 N/A LEU 167.A N GLY 176.A O no hydrogen 2.932 N/A GLU 168.A N ARG 66.A O no hydrogen 2.902 N/A ASP 169.A N ASN 173.A O no hydrogen 2.956 N/A SER 171.A N ASP 169.A OD1 no hydrogen 2.923 N/A GLY 172.A N ASP 169.A O no hydrogen 2.937 N/A ASN 173.A N ASP 169.A OD1 no hydrogen 2.893 N/A ASN 173.A ND2 ASP 169.A OD2 no hydrogen 2.865 N/A LEU 175.A N LEU 167.A O no hydrogen 2.719 N/A GLY 176.A N LEU 167.A O no hydrogen 3.338 N/A ARG 177.A N TYR 13.A O no hydrogen 2.784 N/A ARG 177.A NH1 LYS 11.A O no hydrogen 2.959 N/A ASN 178.A N ILE 165.A O no hydrogen 2.960 N/A ASN 178.A ND2 PHE 19.A O no hydrogen 3.029 N/A PHE 180.A N THR 163.A O no hydrogen 2.980 N/A GLU 181.A N ASN 41.A O no hydrogen 2.936 N/A VAL 182.A N ILE 161.A O no hydrogen 2.990 N/A ARG 183.A N MET 43.A O no hydrogen 2.835 N/A ARG 183.A NE ASP 191.A OD2 no hydrogen 2.742 N/A ARG 183.A NH2 ASP 191.A OD2 no hydrogen 3.021 N/A VAL 184.A N SER 150.A OG no hydrogen 2.974 N/A CYS 185.A N CYS 45.A O no hydrogen 2.764 N/A CYS 185.A SG CYS 45.A O no hydrogen 3.953 N/A CYS 185.A SG ASP 191.A OD2 no hydrogen 3.382 N/A CYS 187.A SG LYS 30.A O no hydrogen 3.726 N/A ARG 190.A NE ASP 191.A OD1 no hydrogen 3.360 N/A ASP 191.A N CYS 187.A O no hydrogen 2.976 N/A ARG 192.A N PRO 188.A O no hydrogen 2.895 N/A ARG 192.A NE GLU 196.A OE2 no hydrogen 2.802 N/A ARG 192.A NH1 THR 35.A OG1 no hydrogen 2.835 N/A ARG 193.A N GLY 189.A O no hydrogen 3.121 N/A ARG 193.A NE THR 28.A OG1 no hydrogen 2.931 N/A ARG 193.A NH2 THR 28.A O no hydrogen 3.053 N/A ARG 193.A NH2 THR 28.A OG1 no hydrogen 3.197 N/A THR 194.A N ARG 190.A O no hydrogen 2.894 N/A THR 194.A OG1 ARG 190.A O no hydrogen 3.045 N/A GLU 195.A N ASP 191.A O no hydrogen 2.895 N/A GLU 196.A N ARG 192.A O no hydrogen 2.946 N/A GLU 197.A N ARG 193.A O no hydrogen 3.069 N/A GLU 197.A N THR 194.A O no hydrogen 3.194 N/A ASN 198.A N GLU 195.A O no hydrogen 3.260 N/A