Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5acj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A OG1 TYR 64.A O no hydrogen 3.082 N/A THR 1.A OG1 ILE 72.A O no hydrogen 2.849 N/A LEU 2.A N TYR 64.A O no hydrogen 2.929 N/A TRP 4.A N GLU 62.A O no hydrogen 2.683 N/A VAL 6.A N TYR 20.A OH no hydrogen 2.882 N/A TRP 7.A N THR 60.A O no hydrogen 2.776 N/A TRP 7.A NE1 GLU 62.A OE1 no hydrogen 2.828 N/A VAL 8.A N VAL 11.A O no hydrogen 2.859 N/A ASN 9.A N THR 58.A O no hydrogen 2.799 N/A ASN 9.A ND2 ASP 57.A OD1 no hydrogen 3.026 N/A VAL 11.A N VAL 8.A O no hydrogen 2.912 N/A GLN 13.A N VAL 6.A O no hydrogen 2.926 N/A GLN 13.A NE2 VAL 11.A O no hydrogen 3.024 N/A GLY 14.A N ASP 12.A OD1 no hydrogen 2.995 N/A GLY 16.A N TRP 4.A O no hydrogen 2.919 N/A ARG 17.A N ASP 15.A OD1 no hydrogen 3.022 N/A ARG 17.A NE ASP 15.A OD1 no hydrogen 2.919 N/A ARG 17.A NE ASP 15.A OD2 no hydrogen 3.447 N/A ARG 17.A NH1 TYR 64.A OH no hydrogen 3.014 N/A ARG 17.A NH2 ASP 15.A OD2 no hydrogen 2.871 N/A ASN 18.A N SER 23.A OG no hydrogen 3.128 N/A ILE 19.A N GLY 16.A O no hydrogen 2.818 N/A TYR 20.A N GLY 16.A O no hydrogen 3.051 N/A TYR 20.A OH GLY 14.A O no hydrogen 2.555 N/A ILE 21.A N GLY 16.A O no hydrogen 2.974 N/A ARG 22.A N CYS 166.A O no hydrogen 2.932 N/A ARG 22.A NE GLN 168.A OE1 no hydrogen 2.778 N/A ARG 22.A NH1 ASN 44.A OD1 no hydrogen 2.840 N/A ARG 22.A NH1 ASN 91.A OD1 no hydrogen 2.955 N/A ARG 22.A NH2 GLN 168.A OE1 no hydrogen 3.054 N/A SER 23.A N ILE 21.A O no hydrogen 2.860 N/A SER 23.A OG ILE 21.A O no hydrogen 3.452 N/A ASN 27.A ND2 HIS 65.A O no hydrogen 3.014 N/A VAL 30.A N PHE 162.A O no hydrogen 2.808 N/A LYS 31.A NZ PRO 156.A O no hydrogen 3.224 N/A LYS 31.A NZ ARG 158.A O no hydrogen 3.060 N/A THR 34.A N ASN 32.A OD1 no hydrogen 3.097 N/A THR 34.A OG1 ASN 32.A OD1 no hydrogen 2.983 N/A SER 35.A N ASN 32.A O no hydrogen 3.079 N/A ASP 37.A N SER 35.A OG no hydrogen 2.908 N/A MET 38.A N SER 35.A O no hydrogen 2.865 N/A THR 39.A N PRO 36.A O no hydrogen 3.128 N/A THR 39.A OG1 PRO 36.A O no hydrogen 3.136 N/A THR 39.A OG1 PHE 186.A O no hydrogen 2.680 N/A CYS 40.A SG.B ASN 44.A OD1 no hydrogen 3.179 N/A ASN 41.A N ASP 37.A O no hydrogen 2.862 N/A ASN 44.A ND2 ASN 91.A OD1 no hydrogen 3.592 N/A ARG 45.A NH1 SER 23.A O no hydrogen 2.918 N/A ARG 45.A NH1 ASP 43.A O no hydrogen 2.993 N/A ARG 45.A NH2 ASN 18.A OD1 no hydrogen 2.793 N/A VAL 47.A N GLN 168.A OE1 no hydrogen 3.089 N/A LYS 49.A N ILE 19.A O no hydrogen 2.870 N/A SER 50.A OG THR 170.A OG1 no hydrogen 2.734 N/A VAL 51.A N GLN 168.A O no hydrogen 2.909 N/A VAL 53.A N THR 170.A O no hydrogen 2.863 N/A ASN 54.A N ASP 57.A OD2 no hydrogen 2.864 N/A ALA 55.A N SER 173.A O no hydrogen 2.945 N/A GLY 56.A N VAL 128.A O no hydrogen 2.778 N/A ASP 57.A N ASN 54.A O no hydrogen 3.093 N/A THR 58.A N ASN 9.A OD1 no hydrogen 2.814 N/A LEU 59.A N VAL 126.A O no hydrogen 2.846 N/A THR 60.A N TRP 7.A O no hydrogen 2.867 N/A THR 60.A OG1 SER 125.A OG no hydrogen 2.650 N/A PHE 61.A N HIS 124.A O no hydrogen 2.868 N/A GLU 62.A N GLY 5.A O no hydrogen 2.968 N/A TRP 63.A N GLY 122.A O no hydrogen 2.794 N/A TYR 64.A N LEU 2.A O no hydrogen 2.828 N/A HIS 65.A N ASP 70.A OD1 no hydrogen 3.022 N/A HIS 65.A ND1 ASP 71.A OD1 no hydrogen 2.787 N/A ASN 66.A N ASP 70.A OD2 no hydrogen 2.720 N/A THR 67.A N ASP 70.A OD2 no hydrogen 2.914 N/A ARG 68.A NE GLU 62.A OE2 no hydrogen 2.880 N/A ARG 68.A NH1 ASP 12.A OD2 no hydrogen 3.434 N/A ARG 68.A NH2 ASP 12.A OD2 no hydrogen 3.030 N/A ARG 68.A NH2 GLU 62.A OE1 no hydrogen 2.771 N/A ASP 70.A N THR 67.A O no hydrogen 3.275 N/A ILE 72.A N ASP 70.A OD1 no hydrogen 2.917 N/A ILE 73.A N ASP 71.A O no hydrogen 2.844 N/A SER 76.A OG HIS 77.A ND1.A no hydrogen 2.870 N/A HIS 77.A N.A ALA 74.A O no hydrogen 2.996 N/A HIS 77.A ND1.A SER 76.A OG no hydrogen 2.870 N/A HIS 78.A N SER 76.A O no hydrogen 2.888 N/A HIS 78.A ND1 ASP 115.A OD1 no hydrogen 2.788 N/A ILE 81.A N ASP 103.A O no hydrogen 2.860 N/A ALA 82.A N GLU 141.A O no hydrogen 2.909 N/A VAL 83.A N PHE 101.A O no hydrogen 3.224 N/A TYR 84.A N ARG 139.A O no hydrogen 2.832 N/A TYR 84.A OH TYR 190.A OH no hydrogen 2.629 N/A ILE 85.A N VAL 98.A O no hydrogen 2.799 N/A ALA 86.A N LEU 137.A O no hydrogen 3.002 N/A ALA 88.A N ASP 135.A O no hydrogen 2.935 N/A SER 90.A N PRO 87.A O no hydrogen 3.131 N/A SER 90.A OG PRO 87.A O no hydrogen 2.579 N/A ASN 91.A N ALA 88.A O no hydrogen 2.930 N/A GLY 92.A N SER 90.A OG no hydrogen 2.889 N/A GLN 93.A N SER 90.A O no hydrogen 3.024 N/A TRP 97.A N VAL 184.A O no hydrogen 2.952 N/A TRP 97.A NE1 GLY 92.A O no hydrogen 2.989 N/A VAL 98.A N ILE 85.A O no hydrogen 2.923 N/A LYS 99.A NZ GLU 102.A OE1 no hydrogen 2.668 N/A LYS 99.A NZ PRO 212.A O no hydrogen 2.995 N/A LYS 99.A NZ PRO 214.A O no hydrogen 2.722 N/A LEU 100.A N VAL 83.A O no hydrogen 2.775 N/A ASP 103.A N ILE 81.A O no hydrogen 2.910 N/A ASN 106.A N THR 111.A O no hydrogen 2.897 N/A ASN 109.A N ASN 106.A O no hydrogen 3.282 N/A SER 110.A N VAL 107.A O no hydrogen 3.256 N/A SER 110.A OG VAL 107.A O no hydrogen 3.472 N/A THR 111.A N ASN 106.A O no hydrogen 3.115 N/A THR 111.A OG1 ASN 109.A OD1 no hydrogen 2.893 N/A TRP 112.A N ASP 115.A OD2 no hydrogen 2.763 N/A ALA 113.A N ALA 104.A O no hydrogen 2.850 N/A VAL 114.A N GLY 79.A O no hydrogen 3.124 N/A ARG 116.A N TRP 112.A O no hydrogen 3.228 N/A ARG 116.A NE THR 111.A OG1 no hydrogen 2.841 N/A ARG 116.A NH1 ASP 103.A OD1 no hydrogen 3.459 N/A ARG 116.A NH1 ASP 103.A OD2 no hydrogen 2.761 N/A ARG 116.A NH2 ASP 103.A OD1 no hydrogen 2.833 N/A ARG 116.A NH2 THR 111.A O no hydrogen 3.104 N/A LEU 117.A N ALA 113.A O no hydrogen 2.890 N/A ILE 118.A N VAL 114.A O no hydrogen 3.140 N/A THR 119.A N ASP 115.A O no hydrogen 3.342 N/A THR 119.A OG1 ASP 115.A O no hydrogen 3.197 N/A ALA 120.A N ARG 116.A O no hydrogen 2.753 N/A HIS 121.A N ILE 118.A O no hydrogen 2.940 N/A HIS 121.A ND1 ASP 69.A OD1 no hydrogen 2.706 N/A GLY 122.A N LEU 117.A O no hydrogen 2.913 N/A GLN 123.A N ALA 120.A O no hydrogen 3.156 N/A GLN 123.A NE2 GLY 229.A O no hydrogen 2.941 N/A HIS 124.A N PHE 61.A O no hydrogen 3.056 N/A SER 125.A N SER 224.A O no hydrogen 2.744 N/A SER 125.A OG THR 60.A OG1 no hydrogen 2.650 N/A VAL 126.A N LEU 59.A O no hydrogen 2.937 N/A VAL 127.A N GLY 222.A O no hydrogen 2.934 N/A VAL 128.A N ASP 57.A O no hydrogen 2.838 N/A VAL 131.A N PRO 129.A O no hydrogen 2.967 N/A GLY 134.A N ILE 171.A O no hydrogen 3.013 N/A TYR 136.A N ILE 169.A O no hydrogen 2.840 N/A TYR 136.A OH ALA 132.A O no hydrogen 2.526 N/A LEU 137.A N ALA 86.A O no hydrogen 2.860 N/A PHE 138.A N ALA 167.A O no hydrogen 2.838 N/A ARG 139.A N TYR 84.A O no hydrogen 2.810 N/A ARG 139.A NE MET 38.A O no hydrogen 3.211 N/A ARG 139.A NE THR 39.A O no hydrogen 2.894 N/A ARG 139.A NH1 GLU 141.A OE2 no hydrogen 2.868 N/A ARG 139.A NH2 MET 38.A O no hydrogen 2.719 N/A ARG 139.A NH2 GLU 141.A OE2 no hydrogen 2.946 N/A ALA 140.A N SER 165.A O no hydrogen 2.913 N/A GLU 141.A N ALA 82.A O no hydrogen 2.914 N/A ILE 142.A N TYR 163.A O no hydrogen 2.826 N/A ILE 143.A N PRO 80.A O no hydrogen 3.013 N/A ALA 144.A N GLN 161.A O no hydrogen 2.797 N/A LEU 145.A N HIS 78.A O no hydrogen 2.924 N/A ALA 148.A N LEU 145.A O no hydrogen 3.051 N/A SER 150.A N GLU 147.A O no hydrogen 3.444 N/A SER 150.A OG ASP 149.A OD1.A no hydrogen 2.908 N/A SER 150.A OG ASP 149.A OD2.A no hydrogen 3.499 N/A SER 153.A OG ASP 192.A OD1 no hydrogen 3.442 N/A SER 153.A OG ASP 192.A OD2 no hydrogen 2.525 N/A GLN 154.A N.A LEU 151.A O no hydrogen 3.046 N/A GLN 154.A N.B LEU 151.A O no hydrogen 3.052 N/A GLN 154.A NE2.A SER 153.A OG no hydrogen 2.955 N/A ASN 155.A N LEU 151.A O no hydrogen 2.813 N/A ILE 157.A N ASN 155.A OD1 no hydrogen 3.069 N/A ARG 158.A N ASN 155.A O no hydrogen 3.056 N/A ARG 158.A NE SER 150.A OG no hydrogen 3.129 N/A ARG 158.A NH2 ASP 149.A OD1.B no hydrogen 2.822 N/A ARG 158.A NH2 ASP 149.A OD2.A no hydrogen 2.401 N/A GLY 159.A N GLU 147.A O no hydrogen 2.882 N/A GLN 161.A N ALA 144.A O no hydrogen 3.049 N/A PHE 162.A N VAL 30.A O no hydrogen 2.834 N/A TYR 163.A N ILE 142.A O no hydrogen 2.899 N/A TYR 163.A OH GLN 161.A OE1 no hydrogen 2.535 N/A SER 165.A N ALA 140.A O no hydrogen 2.912 N/A CYS 166.A SG.A THR 39.A O no hydrogen 3.597 N/A CYS 166.A SG.C ALA 167.A O no hydrogen 3.872 N/A ALA 167.A N PHE 138.A O no hydrogen 2.872 N/A GLN 168.A N TYR 20.A O no hydrogen 2.814 N/A GLN 168.A NE2 VAL 47.A O no hydrogen 2.866 N/A GLN 168.A NE2 LYS 49.A O no hydrogen 2.968 N/A ILE 169.A N TYR 136.A O no hydrogen 2.946 N/A THR 170.A N VAL 51.A O no hydrogen 2.749 N/A THR 170.A OG1 SER 50.A OG no hydrogen 2.734 N/A THR 170.A OG1 ASP 135.A OD1 no hydrogen 2.693 N/A ILE 171.A N GLY 134.A O no hydrogen 2.801 N/A ASN 172.A N VAL 53.A O no hydrogen 2.778 N/A SER 173.A N ASN 54.A OD1 no hydrogen 2.855 N/A SER 174.A OG VAL 131.A O no hydrogen 2.638 N/A ASP 176.A N SER 174.A OG no hydrogen 3.327 N/A SER 177.A N ASP 175.A OD1 no hydrogen 2.991 N/A SER 177.A OG ASP 175.A OD1 no hydrogen 2.722 N/A SER 177.A OG ASP 175.A OD2 no hydrogen 3.545 N/A THR 178.A N HIS 130.A O no hydrogen 2.879 N/A THR 178.A OG1 THR 178.A O no hydrogen 2.609 N/A GLY 183.A N ASN 95.A O no hydrogen 3.047 N/A VAL 184.A N TRP 97.A O no hydrogen 2.915 N/A ALA 189.A N PRO 185.A O no hydrogen 2.815 N/A TYR 190.A OH TYR 84.A OH no hydrogen 2.629 N/A TYR 190.A OH GLU 141.A OE1 no hydrogen 2.520 N/A TYR 190.A OH GLU 141.A OE2 no hydrogen 3.409 N/A THR 191.A N THR 194.A OG1 no hydrogen 2.808 N/A THR 191.A OG1 SER 193.A OG no hydrogen 3.014 N/A THR 191.A OG1 THR 194.A OG1 no hydrogen 3.210 N/A SER 193.A N THR 191.A OG1 no hydrogen 3.225 N/A SER 193.A OG THR 191.A OG1 no hydrogen 3.014 N/A THR 194.A N THR 191.A O no hydrogen 3.068 N/A THR 194.A OG1 THR 191.A O no hydrogen 3.223 N/A THR 194.A OG1 THR 191.A OG1 no hydrogen 3.210 N/A ILE 197.A N THR 194.A O no hydrogen 3.221 N/A GLN 198.A NE2 ASP 149.A O no hydrogen 2.693 N/A PHE 199.A N ALA 148.A O no hydrogen 2.984 N/A TYR 202.A N ASN 200.A OD1 no hydrogen 2.867 N/A TYR 202.A OH HIS 146.A O no hydrogen 3.220 N/A THR 203.A N ASN 200.A OD1 no hydrogen 3.236 N/A THR 204.A N ASN 200.A O no hydrogen 2.944 N/A THR 204.A OG1 ASN 200.A O no hydrogen 3.292 N/A SER 208.A N PRO 205.A O no hydrogen 3.012 N/A TYR 209.A N ALA 206.A O no hydrogen 2.890 N/A TYR 209.A OH GLY 196.A O no hydrogen 2.738 N/A TRP 217.A N LYS 99.A O no hydrogen 2.934 N/A ALA 220.A N TRP 217.A O no hydrogen 3.014 N/A SER 224.A N SER 125.A O no hydrogen 3.019 N/A ALA 226.A N GLN 123.A O no hydrogen 3.215 N/A GLN 227.A NE2 GLY 229.A O no hydrogen 3.028 N/A VAL 228.A N GLN 123.A OE1 no hydrogen 2.803 N/A GLY 229.A N GLN 123.A OE1 no hydrogen 3.121 N/A SER 232.A OG ASP 230.A OD1 no hydrogen 2.599 N/A LEU 233.A N ASP 230.A O no hydrogen 3.195 N/A GLU 234.A N ALA 231.A O no hydrogen 2.641 N/A