Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1rkg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 6.A N SER 3.A OG no hydrogen 3.132 N/A GLN 7.A N SER 3.A O no hydrogen 3.001 N/A HIS 8.A N GLU 4.A O no hydrogen 2.965 N/A ILE 9.A N GLU 5.A O no hydrogen 2.870 N/A ILE 10.A N GLN 6.A O no hydrogen 3.161 N/A ALA 11.A N GLN 7.A O no hydrogen 3.068 N/A ILE 12.A N HIS 8.A O no hydrogen 2.990 N/A LEU 13.A N ILE 9.A O no hydrogen 2.978 N/A LEU 14.A N ILE 10.A O no hydrogen 2.838 N/A ASP 15.A N ALA 11.A O no hydrogen 3.065 N/A ALA 16.A N ILE 12.A O no hydrogen 2.796 N/A HIS 17.A N LEU 13.A O no hydrogen 2.968 N/A HIS 18.A N LEU 14.A O no hydrogen 2.928 N/A HIS 18.A NE2 GLU 143.A OE1 no hydrogen 2.883 N/A LYS 19.A N ASP 15.A O no hydrogen 3.007 N/A LYS 19.A NZ ASP 15.A OD2 no hydrogen 2.957 N/A THR 20.A N HIS 17.A O no hydrogen 3.038 N/A THR 20.A OG1 ALA 16.A O no hydrogen 2.729 N/A THR 20.A OG1 HIS 17.A O no hydrogen 3.365 N/A TYR 21.A OH TYR 25.A OH no hydrogen 2.575 N/A THR 24.A N ASP 22.A OD1 no hydrogen 2.810 N/A THR 24.A OG1 ASP 22.A OD1 no hydrogen 2.627 N/A THR 24.A OG1 ASP 22.A OD2 no hydrogen 3.111 N/A TYR 25.A N ASP 22.A O no hydrogen 2.898 N/A TYR 25.A OH TYR 21.A OH no hydrogen 2.575 N/A ALA 26.A N ASP 22.A OD2 no hydrogen 3.239 N/A PHE 28.A N TYR 25.A O no hydrogen 3.165 N/A ASP 30.A N ASP 27.A O no hydrogen 2.993 N/A PHE 31.A N PHE 28.A O no hydrogen 3.103 N/A ARG 32.A N ASP 48.A OD1 no hydrogen 2.910 N/A ARG 32.A NE ASP 48.A OD1 no hydrogen 3.013 N/A ARG 32.A NH1 LYS 229.A O no hydrogen 3.042 N/A ARG 32.A NH2 ASP 48.A OD2 no hydrogen 3.002 N/A ARG 32.A NH2 LYS 229.A O no hydrogen 2.776 N/A ARG 36.A NE ASP 115.A OD1 no hydrogen 3.020 N/A ARG 36.A NE ASP 115.A OD2 no hydrogen 3.164 N/A ARG 36.A NH1 ASP 108.A O no hydrogen 2.857 N/A ARG 36.A NH2 ASP 108.A O no hydrogen 2.835 N/A ARG 36.A NH2 ASP 115.A OD2 no hydrogen 3.260 N/A SER 41.A OG VAL 35.A O no hydrogen 2.733 N/A MET 42.A N LYS 118.A O no hydrogen 2.944 N/A LEU 43.A N LEU 40.A O no hydrogen 3.137 N/A HIS 45.A ND1 ARG 32.A O no hydrogen 2.749 N/A HIS 45.A NE2 TYR 111.A OH no hydrogen 2.707 N/A LEU 46.A N MET 42.A O no hydrogen 2.962 N/A ALA 47.A N LEU 43.A O no hydrogen 2.674 N/A ASP 48.A N PRO 44.A O no hydrogen 3.073 N/A LEU 49.A N HIS 45.A O no hydrogen 2.930 N/A VAL 50.A N LEU 46.A O no hydrogen 2.801 N/A SER 51.A N ALA 47.A O no hydrogen 2.876 N/A SER 51.A OG THR 231.A OG1 no hydrogen 2.643 N/A TYR 52.A N ASP 48.A O no hydrogen 2.870 N/A TYR 52.A OH ASP 27.A OD2 no hydrogen 2.552 N/A SER 53.A N LEU 49.A O no hydrogen 2.956 N/A SER 53.A OG LEU 49.A O no hydrogen 2.867 N/A ILE 54.A N VAL 50.A O no hydrogen 2.808 N/A GLN 55.A N SER 51.A O no hydrogen 3.191 N/A LYS 56.A N TYR 52.A O no hydrogen 3.130 N/A VAL 57.A N SER 53.A O no hydrogen 2.890 N/A ILE 58.A N ILE 54.A O no hydrogen 2.886 N/A GLY 59.A N GLN 55.A O no hydrogen 3.096 N/A PHE 60.A N LYS 56.A O no hydrogen 2.885 N/A ALA 61.A N VAL 57.A O no hydrogen 2.851 N/A LYS 62.A N ILE 58.A O no hydrogen 3.115 N/A MET 63.A N PHE 60.A O no hydrogen 3.043 N/A ILE 64.A N ALA 61.A O no hydrogen 3.077 N/A PHE 67.A N ILE 64.A O no hydrogen 2.897 N/A ASP 69.A N GLY 66.A O no hydrogen 3.004 N/A LEU 70.A N PHE 67.A O no hydrogen 3.161 N/A ASP 74.A N THR 71.A OG1 no hydrogen 3.278 N/A GLN 75.A N THR 71.A O no hydrogen 2.927 N/A ILE 76.A N SER 72.A O no hydrogen 2.799 N/A VAL 77.A N ASP 73.A O no hydrogen 3.045 N/A LEU 78.A N ASP 74.A O no hydrogen 2.973 N/A LEU 79.A N GLN 75.A O no hydrogen 3.035 N/A LYS 80.A N ILE 76.A O no hydrogen 2.852 N/A LYS 80.A NZ VAL 237.A O no hydrogen 2.977 N/A LYS 80.A NZ ASN 240.A O.A no hydrogen 2.713 N/A SER 81.A N VAL 77.A O no hydrogen 3.052 N/A SER 81.A OG VAL 77.A O no hydrogen 2.950 N/A SER 81.A OG LEU 78.A O no hydrogen 3.236 N/A SER 82.A N LEU 78.A O no hydrogen 2.970 N/A SER 82.A OG LEU 78.A O no hydrogen 2.767 N/A ALA 83.A N LEU 79.A O no hydrogen 2.896 N/A VAL 86.A N SER 82.A O no hydrogen 2.883 N/A ILE 87.A N ALA 83.A O no hydrogen 2.961 N/A MET 88.A N ILE 84.A O no hydrogen 2.956 N/A LEU 89.A N GLU 85.A O no hydrogen 2.850 N/A ARG 90.A N VAL 86.A O no hydrogen 2.754 N/A ARG 90.A NH2 THR 20.A O no hydrogen 2.851 N/A SER 91.A N ILE 87.A O no hydrogen 2.857 N/A SER 91.A OG MET 88.A O no hydrogen 2.746 N/A ASN 92.A N LEU 89.A O no hydrogen 3.000 N/A ASN 92.A ND2 GLN 133.A O no hydrogen 3.032 N/A ASN 92.A ND2 GLN 133.A OE1 no hydrogen 2.896 N/A GLN 93.A N ARG 90.A O no hydrogen 3.211 N/A GLN 93.A NE2 HIS 17.A NE2 no hydrogen 2.995 N/A SER 94.A N SER 91.A O no hydrogen 3.015 N/A SER 94.A OG SER 91.A O no hydrogen 3.147 N/A PHE 95.A N SER 91.A O no hydrogen 3.055 N/A PHE 95.A N ASN 92.A O no hydrogen 3.205 N/A THR 96.A N SER 101.A O no hydrogen 2.872 N/A ASP 98.A N THR 96.A OG1 no hydrogen 2.993 N/A SER 101.A N THR 96.A O no hydrogen 3.249 N/A SER 101.A OG ASP 99.A OD1 no hydrogen 2.689 N/A TRP 102.A N TYR 111.A O no hydrogen 2.850 N/A TRP 102.A NE1 SER 91.A OG no hydrogen 3.015 N/A ASP 103.A N SER 94.A O no hydrogen 2.902 N/A CYS 104.A N TYR 109.A O no hydrogen 2.917 N/A GLY 105.A N ASP 103.A OD1 no hydrogen 3.165 N/A TYR 109.A N SER 106.A O no hydrogen 2.959 N/A LYS 110.A N GLN 107.A O no hydrogen 3.379 N/A LYS 110.A NZ ASP 99.A OD2 no hydrogen 2.946 N/A TYR 111.A N TRP 102.A O no hydrogen 2.859 N/A TYR 111.A OH HIS 45.A NE2 no hydrogen 2.707 N/A ASP 112.A N ASP 115.A OD2 no hydrogen 3.219 N/A THR 114.A OG1 ASP 112.A OD1 no hydrogen 3.506 N/A THR 114.A OG1 ASP 112.A OD2 no hydrogen 2.763 N/A ASP 115.A N ASP 112.A OD2 no hydrogen 2.850 N/A VAL 116.A N ASP 112.A O no hydrogen 3.152 N/A SER 117.A N VAL 113.A O no hydrogen 2.939 N/A SER 117.A OG VAL 113.A O no hydrogen 2.844 N/A LYS 118.A N THR 114.A O no hydrogen 3.075 N/A LYS 118.A N ASP 115.A O no hydrogen 3.069 N/A ALA 119.A N VAL 116.A O no hydrogen 3.106 N/A GLY 120.A N SER 117.A O no hydrogen 3.342 N/A HIS 121.A ND1 GLN 216.A OE1 no hydrogen 3.002 N/A THR 122.A N GLN 216.A OE1 no hydrogen 2.941 N/A LEU 125.A N THR 122.A O no hydrogen 3.008 N/A ILE 126.A N THR 122.A O no hydrogen 2.992 N/A GLU 127.A N LEU 123.A O no hydrogen 2.929 N/A LEU 129.A N LEU 125.A O no hydrogen 2.939 N/A ILE 130.A N ILE 126.A O no hydrogen 2.925 N/A LYS 131.A N GLU 127.A O no hydrogen 2.981 N/A PHE 132.A N PRO 128.A O no hydrogen 2.808 N/A GLN 133.A N LEU 129.A O no hydrogen 2.969 N/A GLN 133.A NE2 MET 88.A O no hydrogen 2.850 N/A VAL 134.A N ILE 130.A O no hydrogen 2.928 N/A GLY 135.A N LYS 131.A O no hydrogen 3.013 N/A LEU 136.A N PHE 132.A O no hydrogen 2.896 N/A LYS 137.A N GLN 133.A O no hydrogen 2.875 N/A LYS 137.A NZ ASN 92.A O no hydrogen 3.258 N/A LYS 137.A NZ PHE 95.A O no hydrogen 2.849 N/A LYS 138.A N VAL 134.A O no hydrogen 3.038 N/A LEU 139.A N LEU 136.A O no hydrogen 3.054 N/A ASN 140.A N LYS 137.A O no hydrogen 2.751 N/A HIS 142.A N GLU 145.A OE2 no hydrogen 2.846 N/A HIS 142.A ND1 TYR 182.A OH no hydrogen 2.750 N/A GLU 144.A N GLU 144.A OE2 no hydrogen 2.711 N/A HIS 146.A N HIS 142.A O no hydrogen 2.983 N/A VAL 147.A N GLU 143.A O no hydrogen 2.940 N/A LEU 148.A N GLU 144.A O no hydrogen 3.113 N/A LEU 149.A N GLU 145.A O no hydrogen 2.816 N/A MET 150.A N HIS 146.A O no hydrogen 3.053 N/A ALA 151.A N VAL 147.A O no hydrogen 3.039 N/A ILE 152.A N LEU 148.A O no hydrogen 2.869 N/A CYS 153.A N LEU 149.A O no hydrogen 2.944 N/A CYS 153.A SG GLU 85.A OE1 no hydrogen 3.312 N/A ILE 154.A N MET 150.A O no hydrogen 3.086 N/A VAL 155.A N ALA 151.A O no hydrogen 3.060 N/A SER 156.A OG ILE 152.A O no hydrogen 3.184 N/A SER 156.A OG CYS 153.A O no hydrogen 2.733 N/A ARG 159.A N SER 156.A O no hydrogen 3.487 N/A ARG 159.A NH1 GLU 85.A OE2 no hydrogen 2.839 N/A ARG 159.A NH2 GLU 85.A OE1 no hydrogen 2.958 N/A ARG 159.A NH2 GLU 85.A OE2 no hydrogen 3.488 N/A ARG 159.A NH2 CYS 153.A O no hydrogen 3.108 N/A VAL 162.A N ARG 159.A O no hydrogen 3.274 N/A GLN 163.A N ASP 74.A OD2 no hydrogen 2.830 N/A ASP 164.A N ASP 74.A OD1 no hydrogen 3.059 N/A LEU 167.A N ASP 164.A OD2 no hydrogen 3.078 N/A VAL 168.A N ASP 164.A O no hydrogen 3.148 N/A GLU 169.A N ALA 165.A O no hydrogen 2.842 N/A ALA 170.A N LYS 166.A O no hydrogen 2.866 N/A ILE 171.A N LEU 167.A O no hydrogen 2.954 N/A GLN 172.A N VAL 168.A O no hydrogen 2.803 N/A GLN 172.A NE2 ILE 152.A O no hydrogen 3.096 N/A ASP 173.A N GLU 169.A O no hydrogen 2.763 N/A ARG 174.A N ALA 170.A O no hydrogen 3.276 N/A LEU 175.A N ILE 171.A O no hydrogen 3.411 N/A SER 176.A N GLN 172.A O no hydrogen 2.768 N/A SER 176.A OG GLN 172.A O no hydrogen 3.151 N/A ASN 177.A N ASP 173.A O no hydrogen 2.809 N/A THR 178.A N ARG 174.A O no hydrogen 3.161 N/A THR 178.A OG1 ARG 174.A O no hydrogen 2.730 N/A LEU 179.A N LEU 175.A O no hydrogen 2.899 N/A GLN 180.A N SER 176.A O no hydrogen 2.830 N/A GLN 180.A NE2 SER 176.A O no hydrogen 3.619 N/A THR 181.A N ASN 177.A O no hydrogen 2.958 N/A THR 181.A OG1 ASN 177.A O no hydrogen 2.888 N/A TYR 182.A N THR 178.A O no hydrogen 2.781 N/A TYR 182.A OH HIS 142.A ND1 no hydrogen 2.750 N/A ILE 183.A N LEU 179.A O no hydrogen 2.957 N/A ARG 184.A N GLN 180.A O no hydrogen 3.134 N/A ARG 184.A NE GLN 180.A O no hydrogen 3.571 N/A CYS 185.A N THR 181.A O no hydrogen 2.872 N/A CYS 185.A SG THR 181.A O no hydrogen 3.390 N/A ARG 186.A N TYR 182.A O no hydrogen 2.785 N/A HIS 187.A N ILE 183.A O no hydrogen 3.163 N/A HIS 187.A ND1 GLU 145.A OE1 no hydrogen 2.471 N/A HIS 193.A N PRO 190.A O no hydrogen 2.848 N/A LEU 195.A N SER 192.A O no hydrogen 3.120 N/A LYS 198.A N GLN 194.A O no hydrogen 2.961 N/A MET 199.A N LEU 195.A O no hydrogen 2.900 N/A ILE 200.A N TYR 196.A O no hydrogen 2.939 N/A GLN 201.A N ALA 197.A O no hydrogen 2.939 N/A LYS 202.A N LYS 198.A O no hydrogen 3.155 N/A LEU 203.A N MET 199.A O no hydrogen 3.357 N/A ALA 204.A N ILE 200.A O no hydrogen 3.207 N/A ASP 205.A N GLN 201.A O no hydrogen 2.922 N/A LEU 206.A N LYS 202.A O no hydrogen 2.897 N/A ARG 207.A N LEU 203.A O no hydrogen 3.213 N/A ARG 207.A NH1 ASP 158.A OD1 no hydrogen 2.935 N/A ARG 207.A NH2 ASP 158.A OD1 no hydrogen 3.289 N/A ARG 207.A NH2 ASP 158.A OD2 no hydrogen 2.705 N/A LEU 209.A N ASP 205.A O no hydrogen 3.107 N/A ASN 210.A N LEU 206.A O no hydrogen 2.829 N/A ASN 210.A ND2 SER 81.A O no hydrogen 2.715 N/A ASN 210.A ND2 GLU 85.A OE2 no hydrogen 2.824 N/A GLU 211.A N ARG 207.A O no hydrogen 3.015 N/A GLU 212.A N SER 208.A O no hydrogen 3.027 N/A HIS 213.A N LEU 209.A O no hydrogen 2.827 N/A SER 214.A N ASN 210.A O no hydrogen 2.832 N/A LYS 215.A N GLU 211.A O no hydrogen 3.045 N/A GLN 216.A N GLU 212.A O no hydrogen 2.943 N/A GLN 216.A NE2 GLU 212.A OE1 no hydrogen 2.735 N/A TYR 217.A N HIS 213.A O no hydrogen 2.709 N/A TYR 217.A OH GLY 239.A O.B no hydrogen 2.630 N/A ARG 218.A N SER 214.A O no hydrogen 2.917 N/A SER 219.A N LYS 215.A O no hydrogen 3.165 N/A LEU 220.A N GLN 216.A O no hydrogen 2.884 N/A SER 221.A N TYR 217.A O no hydrogen 2.791 N/A SER 221.A OG TYR 217.A O no hydrogen 2.816 N/A ASN 226.A N GLN 223.A O no hydrogen 3.014 N/A ASN 226.A ND2 LEU 220.A O no hydrogen 3.209 N/A SER 227.A N GLN 223.A O no hydrogen 3.078 N/A SER 227.A OG SER 221.A O no hydrogen 2.934 N/A MET 228.A N PRO 224.A O no hydrogen 2.880 N/A LYS 229.A N ASN 226.A O no hydrogen 2.906 N/A LEU 230.A N SER 227.A O no hydrogen 3.098 N/A THR 231.A OG1 SER 51.A OG no hydrogen 2.643 N/A VAL 234.A N THR 231.A OG1 no hydrogen 3.112 N/A LEU 235.A N THR 231.A O no hydrogen 3.070 N/A GLU 236.A N PRO 232.A O no hydrogen 2.965 N/A VAL 237.A N LEU 233.A O no hydrogen 2.881 N/A PHE 238.A N VAL 234.A O no hydrogen 2.881 N/A GLY 239.A N LEU 235.A O no hydrogen 2.836 N/A ASN 240.A N.A GLU 236.A O no hydrogen 3.211 N/A