Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xgr_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N THR 25.A O no hydrogen 2.821 N/A GLU 6.A N GLU 6.A OE1 no hydrogen 2.857 N/A SER 7.A N THR 21.A O no hydrogen 2.734 N/A VAL 12.A N THR 110.A O no hydrogen 2.909 N/A SER 15.A N VAL 85.A O no hydrogen 2.775 N/A SER 15.A OG PRO 14.A O no hydrogen 2.510 N/A SER 15.A OG GLN 16.A OE1 no hydrogen 3.516 N/A GLN 16.A N LYS 13.A O no hydrogen 3.017 N/A THR 17.A OG1 ASN 83.A OD1 no hydrogen 2.607 N/A LEU 18.A N LEU 82.A O no hydrogen 2.774 N/A LEU 20.A N LEU 80.A O no hydrogen 3.199 N/A THR 21.A N SER 7.A O no hydrogen 2.616 N/A CYS 22.A N TYR 78.A O no hydrogen 3.130 N/A CYS 22.A SG TYR 78.A OH no hydrogen 3.632 N/A SER 23.A N GLN 5.A O no hydrogen 2.921 N/A VAL 24.A N ASN 76.A O no hydrogen 2.955 N/A THR 25.A N GLN 3.A O no hydrogen 3.008 N/A THR 25.A OG1 GLN 3.A O no hydrogen 3.147 N/A SER 28.A N ASP 27.A OD1 no hydrogen 2.594 N/A SER 28.A OG THR 30.A OG1 no hydrogen 2.753 N/A SER 28.A OG ASN 76.A OD1 no hydrogen 3.413 N/A VAL 29.A N ASN 76.A OD1 no hydrogen 2.933 N/A THR 30.A N SER 28.A OG no hydrogen 3.040 N/A THR 30.A OG1 SER 28.A OG no hydrogen 2.753 N/A SER 31.A N SER 28.A O no hydrogen 2.967 N/A SER 31.A OG SER 28.A O no hydrogen 2.723 N/A ILE 33.A N ASP 32.A OD2 no hydrogen 2.719 N/A TRP 34.A N ILE 51.A O no hydrogen 2.839 N/A TRP 34.A NE1 VAL 29.A O no hydrogen 2.707 N/A SER 35.A N ALA 96.A O no hydrogen 2.872 N/A SER 35.A OG TYR 47.A OH no hydrogen 3.136 N/A SER 35.A OG ALA 96.A O no hydrogen 3.335 N/A TRP 36.A N GLY 49.A O no hydrogen 3.096 N/A ILE 37.A N TYR 94.A O no hydrogen 2.898 N/A ARG 38.A N GLU 46.A O no hydrogen 2.969 N/A ARG 38.A NE TYR 93.A OH no hydrogen 3.526 N/A ARG 38.A NH1 GLU 46.A OE1 no hydrogen 2.680 N/A ARG 38.A NH2 ASP 89.A OD1 no hydrogen 2.546 N/A ARG 38.A NH2 TYR 93.A OH no hydrogen 2.954 N/A LYS 39.A N THR 92.A O no hydrogen 2.806 N/A PHE 40.A N LYS 44.A O no hydrogen 2.871 N/A LYS 44.A N PHE 40.A O no hydrogen 3.250 N/A GLU 46.A N ARG 38.A O no hydrogen 2.871 N/A MET 48.A N TRP 36.A O no hydrogen 2.966 N/A TYR 50.A N TYR 58.A O no hydrogen 3.065 N/A ILE 51.A N TRP 34.A O no hydrogen 2.645 N/A SER 52.A N SER 56.A O no hydrogen 2.691 N/A GLY 55.A N SER 52.A O no hydrogen 2.904 N/A SER 56.A N SER 54.A OG no hydrogen 3.293 N/A TYR 58.A N TYR 50.A O no hydrogen 3.117 N/A HIS 60.A N MET 48.A O no hydrogen 2.961 N/A HIS 60.A ND1 TYR 47.A O no hydrogen 3.304 N/A SER 62.A OG HIS 60.A NE2 no hydrogen 3.329 N/A LEU 63.A N HIS 60.A O no hydrogen 2.804 N/A LYS 64.A N PRO 61.A O no hydrogen 3.045 N/A SER 65.A OG LYS 64.A O no hydrogen 2.515 N/A ARG 66.A N LEU 63.A O no hydrogen 2.828 N/A ARG 66.A NH1 ASP 89.A OD1 no hydrogen 3.009 N/A ARG 66.A NH1 ASP 89.A OD2 no hydrogen 3.489 N/A ARG 66.A NH2 ASN 83.A O no hydrogen 2.849 N/A ARG 66.A NH2 ASP 89.A OD2 no hydrogen 2.851 N/A ILE 67.A N LEU 63.A O no hydrogen 3.183 N/A SER 68.A N GLN 81.A O no hydrogen 2.996 N/A ILE 69.A N TYR 59.A OH no hydrogen 2.911 N/A THR 70.A N TYR 79.A O no hydrogen 3.245 N/A ARG 71.A NH1 TYR 53.A O no hydrogen 2.851 N/A ASP 72.A N GLN 77.A O no hydrogen 2.758 N/A SER 74.A N ASP 72.A OD1 no hydrogen 3.066 N/A SER 74.A OG ASP 72.A OD1 no hydrogen 2.876 N/A LYS 75.A N ASP 72.A OD1 no hydrogen 2.986 N/A LYS 75.A NZ TYR 79.A OH no hydrogen 2.883 N/A GLN 77.A N ASP 72.A O no hydrogen 3.325 N/A TYR 78.A N CYS 22.A O no hydrogen 3.261 N/A TYR 78.A OH SER 35.A O no hydrogen 3.002 N/A TYR 79.A N THR 70.A O no hydrogen 2.519 N/A TYR 79.A OH GLN 77.A OE1 no hydrogen 2.765 N/A LEU 80.A N LEU 20.A O no hydrogen 3.258 N/A GLN 81.A N SER 68.A O no hydrogen 2.848 N/A LEU 82.A N LEU 18.A O no hydrogen 2.924 N/A ASN 83.A N ARG 66.A O no hydrogen 2.975 N/A VAL 85.A N GLN 16.A O no hydrogen 3.204 N/A THR 86.A N ASP 89.A OD2 no hydrogen 3.075 N/A THR 86.A OG1 GLU 88.A OE1 no hydrogen 2.920 N/A THR 87.A OG1 GLU 88.A OE1 no hydrogen 3.339 N/A THR 87.A OG1 GLU 88.A OE2 no hydrogen 2.892 N/A GLU 88.A N THR 86.A OG1 no hydrogen 3.219 N/A ASP 89.A N THR 86.A O no hydrogen 2.783 N/A THR 90.A N THR 87.A O no hydrogen 3.008 N/A THR 90.A OG1 THR 87.A O no hydrogen 3.111 N/A ALA 91.A N VAL 109.A O no hydrogen 3.082 N/A THR 92.A N LYS 39.A O no hydrogen 3.137 N/A TYR 93.A N THR 107.A O no hydrogen 2.855 N/A TYR 93.A OH ASP 89.A O no hydrogen 2.619 N/A TYR 94.A N ILE 37.A O no hydrogen 2.786 N/A CYS 95.A N GLU 6.A OE2 no hydrogen 2.814 N/A ALA 96.A N SER 35.A O no hydrogen 3.128 N/A SER 97.A N VAL 102.A O no hydrogen 3.105 N/A SER 97.A OG ASP 101.A OD1 no hydrogen 2.697 N/A TRP 98.A N ILE 33.A O no hydrogen 2.950 N/A GLY 100.A N SER 97.A O no hydrogen 3.053 N/A VAL 102.A N SER 97.A OG no hydrogen 3.171 N/A TRP 103.A NE1 GLY 100.A O no hydrogen 2.956 N/A GLY 104.A N CYS 95.A O no hydrogen 2.920 N/A GLY 106.A N GLU 6.A OE1 no hydrogen 2.636 N/A THR 107.A N TYR 93.A O no hydrogen 2.854 N/A VAL 109.A N ALA 91.A O no hydrogen 2.949 N/A THR 110.A N SER 10.A O no hydrogen 2.845 N/A VAL 111.A N THR 90.A OG1 no hydrogen 2.909 N/A SER 112.A N VAL 12.A O no hydrogen 2.962 N/A ALA 114.A N SER 112.A OG no hydrogen 2.967 N/A THR 117.A N PHE 146.A O no hydrogen 2.678 N/A THR 117.A OG1 LYS 115.A O no hydrogen 2.866 N/A SER 120.A N LYS 143.A O no hydrogen 2.851 N/A TYR 122.A N LEU 141.A O no hydrogen 2.798 N/A LEU 124.A N GLY 139.A O no hydrogen 2.907 N/A GLY 129.A N PRO 126.A O no hydrogen 2.832 N/A ASP 130.A N VAL 127.A O no hydrogen 3.267 N/A THR 131.A OG1 ASP 130.A O no hydrogen 2.632 N/A VAL 136.A N VAL 183.A O no hydrogen 2.804 N/A THR 137.A OG1 LEU 138.A O no hydrogen 3.360 N/A THR 137.A OG1 VAL 181.A O no hydrogen 3.354 N/A LEU 138.A N VAL 181.A O no hydrogen 2.832 N/A GLY 139.A N LEU 124.A O no hydrogen 2.780 N/A CYS 140.A N SER 179.A O no hydrogen 2.930 N/A LEU 141.A N TYR 122.A O no hydrogen 2.806 N/A VAL 142.A N LEU 177.A O no hydrogen 2.678 N/A LYS 143.A N SER 120.A O no hydrogen 2.928 N/A TYR 145.A N TYR 175.A O no hydrogen 3.170 N/A TYR 145.A OH GLU 148.A OE1 no hydrogen 3.103 N/A PHE 146.A N THR 117.A O no hydrogen 2.914 N/A THR 151.A N ALA 198.A O no hydrogen 2.957 N/A THR 153.A N ASN 196.A O no hydrogen 2.924 N/A THR 153.A OG1 ASN 196.A OD1 no hydrogen 2.961 N/A TRP 154.A NE1 SER 179.A OG no hydrogen 3.234 N/A ASN 155.A N THR 194.A O no hydrogen 2.717 N/A ASN 155.A ND2 SER 192.A O no hydrogen 3.477 N/A SER 156.A N ASN 196.A OD1 no hydrogen 2.603 N/A GLY 157.A N TRP 154.A O no hydrogen 2.847 N/A SER 158.A N ASN 155.A O no hydrogen 2.807 N/A LEU 159.A N TRP 154.A O no hydrogen 3.187 N/A HIS 164.A N SER 180.A O no hydrogen 2.857 N/A THR 165.A OG1 SER 179.A OG no hydrogen 2.966 N/A PHE 166.A N SER 178.A O no hydrogen 3.092 N/A VAL 169.A N THR 176.A O no hydrogen 2.898 N/A GLN 171.A N LEU 174.A O no hydrogen 2.586 N/A GLN 171.A NE2 THR 176.A OG1 no hydrogen 2.763 N/A SER 172.A OG GLN 171.A O no hydrogen 2.532 N/A LEU 174.A N GLN 171.A O no hydrogen 3.065 N/A TYR 175.A N TYR 145.A O no hydrogen 2.900 N/A THR 176.A N VAL 169.A O no hydrogen 2.956 N/A LEU 177.A N VAL 142.A O no hydrogen 2.829 N/A SER 179.A N CYS 140.A O no hydrogen 2.930 N/A SER 179.A OG HIS 164.A O no hydrogen 3.419 N/A SER 179.A OG THR 165.A OG1 no hydrogen 2.966 N/A SER 180.A N HIS 164.A O no hydrogen 2.820 N/A VAL 181.A N LEU 138.A O no hydrogen 3.020 N/A THR 182.A N GLY 162.A O no hydrogen 2.818 N/A VAL 183.A N VAL 136.A O no hydrogen 2.902 N/A THR 184.A OG1 SER 186.A OG no hydrogen 3.050 N/A THR 184.A OG1 THR 187.A OG1 no hydrogen 2.526 N/A SER 185.A N SER 134.A O no hydrogen 2.870 N/A SER 185.A OG GLY 133.A O no hydrogen 2.864 N/A SER 186.A OG THR 184.A OG1 no hydrogen 3.050 N/A THR 187.A N THR 184.A O no hydrogen 2.870 N/A THR 187.A OG1 THR 184.A O no hydrogen 3.403 N/A THR 187.A OG1 THR 184.A OG1 no hydrogen 2.526 N/A GLN 191.A N THR 187.A O no hydrogen 2.687 N/A THR 194.A N ASN 155.A OD1 no hydrogen 2.827 N/A CYS 195.A N LYS 208.A O no hydrogen 2.801 N/A ASN 196.A N THR 153.A O no hydrogen 2.763 N/A ASN 196.A ND2 ASP 207.A OD2 no hydrogen 2.645 N/A VAL 197.A N VAL 206.A O no hydrogen 2.914 N/A ALA 198.A N THR 151.A O no hydrogen 2.906 N/A HIS 199.A N THR 204.A O no hydrogen 2.736 N/A HIS 199.A ND1 SER 202.A OG no hydrogen 2.698 N/A HIS 199.A NE2 PRO 147.A O no hydrogen 2.832 N/A SER 202.A N HIS 199.A O no hydrogen 3.153 N/A SER 202.A OG HIS 199.A ND1 no hydrogen 2.698 N/A SER 202.A OG HIS 199.A O no hydrogen 3.350 N/A SER 202.A OG THR 204.A OG1 no hydrogen 2.948 N/A SER 203.A N PRO 200.A O no hydrogen 2.983 N/A THR 204.A N HIS 199.A O no hydrogen 3.039 N/A THR 204.A OG1 HIS 199.A O no hydrogen 3.356 N/A THR 204.A OG1 SER 202.A OG no hydrogen 2.948 N/A VAL 206.A N VAL 197.A O no hydrogen 2.860 N/A LYS 208.A N CYS 195.A O no hydrogen 2.785 N/A ILE 210.A N ILE 193.A O no hydrogen 2.828 N/A