Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3krs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE ASP 228.A OD1 no hydrogen 3.267 N/A ARG 2.A NE ASP 228.A OD2 no hydrogen 2.904 N/A ARG 2.A NH1 SER 203.A O no hydrogen 2.896 N/A ARG 2.A NH2 ASP 228.A OD1 no hydrogen 2.947 N/A LYS 3.A NZ ASN 33.A O no hydrogen 2.829 N/A PHE 5.A N ASP 228.A O no hydrogen 3.024 N/A VAL 6.A N GLU 35.A O no hydrogen 2.841 N/A GLY 7.A N PHE 230.A O no hydrogen 2.840 N/A GLY 8.A N TYR 37.A O no hydrogen 2.807 N/A ASN 9.A N VAL 232.A O no hydrogen 2.813 N/A PHE 10.A N PHE 39.A O no hydrogen 3.143 N/A LYS 11.A N ASN 9.A OD1 no hydrogen 3.042 N/A LYS 11.A NZ GLU 98.A OE2 no hydrogen 2.698 N/A ASN 13.A ND2 PHE 10.A O no hydrogen 2.867 N/A THR 15.A N SER 18.A OG no hydrogen 3.023 N/A THR 15.A OG1 SER 18.A OG no hydrogen 3.146 N/A SER 18.A N THR 15.A OG1 no hydrogen 3.013 N/A SER 18.A OG THR 15.A O no hydrogen 3.402 N/A SER 18.A OG THR 15.A OG1 no hydrogen 3.146 N/A LEU 19.A N THR 15.A O no hydrogen 2.904 N/A LYS 20.A N LYS 16.A O no hydrogen 2.949 N/A THR 21.A N GLU 17.A O no hydrogen 3.231 N/A THR 21.A OG1 GLU 17.A O no hydrogen 3.269 N/A LEU 22.A N SER 18.A O no hydrogen 2.966 N/A ILE 23.A N LEU 19.A O no hydrogen 2.864 N/A ASP 24.A N LYS 20.A O no hydrogen 3.072 N/A SER 25.A N THR 21.A O no hydrogen 3.269 N/A SER 25.A OG.B LEU 22.A O no hydrogen 2.678 N/A PHE 26.A N LEU 22.A O no hydrogen 2.994 N/A LYS 27.A N ILE 23.A O no hydrogen 2.922 N/A LYS 27.A NZ PHE 51.A O no hydrogen 2.877 N/A LYS 27.A NZ PHE 52.A O no hydrogen 3.214 N/A LYS 27.A NZ ASP 55.A OD1 no hydrogen 3.435 N/A LYS 27.A NZ ASP 55.A OD2 no hydrogen 2.832 N/A GLN 28.A N SER 25.A O no hydrogen 2.903 N/A VAL 29.A N PHE 26.A O no hydrogen 3.063 N/A SER 32.A OG SER 34.A O no hydrogen 3.152 N/A ASN 33.A N GLN 249.A OE1 no hydrogen 2.781 N/A SER 34.A N SER 32.A OG no hydrogen 2.985 N/A SER 34.A OG.B GLU 35.A O no hydrogen 3.014 N/A GLU 35.A N TYR 4.A O no hydrogen 2.853 N/A TYR 37.A N VAL 6.A O no hydrogen 2.976 N/A TYR 37.A OH ASP 90.A OD1 no hydrogen 2.690 N/A TYR 37.A OH ASP 90.A OD2 no hydrogen 3.408 N/A VAL 38.A N LYS 61.A O no hydrogen 2.926 N/A PHE 39.A N GLY 8.A O no hydrogen 2.838 N/A THR 41.A OG1 HIS 44.A ND1 no hydrogen 3.094 N/A HIS 44.A N THR 41.A O no hydrogen 2.922 N/A VAL 48.A N HIS 44.A O no hydrogen 2.851 N/A LYS 49.A N ILE 45.A O no hydrogen 3.048 N/A LYS 49.A NZ ASP 88.A O no hydrogen 2.948 N/A GLU 50.A N SER 46.A O no hydrogen 2.943 N/A PHE 51.A N LEU 47.A O no hydrogen 2.828 N/A PHE 52.A N VAL 48.A O no hydrogen 3.033 N/A GLY 53.A N LYS 49.A O no hydrogen 2.910 N/A GLY 58.A N HIS 56.A ND1 no hydrogen 3.211 N/A LYS 61.A N VAL 36.A O no hydrogen 2.877 N/A LYS 61.A NZ TYR 37.A OH no hydrogen 3.181 N/A LYS 61.A NZ ASP 90.A OD2 no hydrogen 2.784 N/A GLY 63.A N VAL 38.A O no hydrogen 2.866 N/A SER 64.A N CYS 91.A O no hydrogen 2.889 N/A SER 64.A OG.A ASN 66.A O no hydrogen 2.656 N/A SER 64.A OG.B ASN 66.A O no hydrogen 3.381 N/A SER 64.A OG.B CYS 91.A O no hydrogen 3.463 N/A SER 64.A OG.B SER 92.A OG no hydrogen 2.860 N/A GLN 65.A NE2 LYS 11.A O no hydrogen 2.909 N/A GLN 65.A NE2 PHE 39.A O no hydrogen 2.891 N/A SER 68.A N VAL 79.A O no hydrogen 2.919 N/A SER 68.A OG.A THR 70.A O no hydrogen 3.226 N/A SER 68.A OG.A THR 70.A OG1 no hydrogen 3.103 N/A SER 68.A OG.B THR 70.A O no hydrogen 2.503 N/A SER 68.A OG.B VAL 79.A O no hydrogen 3.224 N/A THR 70.A N SER 68.A OG.A no hydrogen 3.057 N/A THR 70.A OG1 SER 68.A OG.A no hydrogen 3.103 N/A ASN 72.A N GLU 82.A OE2.A no hydrogen 3.033 N/A PHE 75.A N GLY 73.A O no hydrogen 2.895 N/A GLU 78.A N PHE 75.A O no hydrogen 3.040 N/A SER 80.A OG ASN 72.A OD1 no hydrogen 2.612 N/A CYS 81.A SG LYS 116.A O no hydrogen 4.018 N/A GLU 82.A N GLU 82.A OE2.B no hydrogen 2.938 N/A MET 83.A N SER 80.A OG no hydrogen 3.079 N/A LEU 84.A N SER 80.A O no hydrogen 3.038 N/A LYS 85.A N CYS 81.A O no hydrogen 2.924 N/A LYS 85.A NZ.A ASN 120.A O no hydrogen 3.215 N/A LYS 85.A NZ.B ASN 120.A O no hydrogen 2.910 N/A ASP 86.A N GLU 82.A O no hydrogen 3.019 N/A MET 87.A N MET 83.A O no hydrogen 3.217 N/A MET 87.A N LEU 84.A O no hydrogen 2.987 N/A ASP 88.A N LYS 85.A O no hydrogen 2.920 N/A VAL 89.A N LEU 84.A O no hydrogen 2.927 N/A CYS 91.A SG LYS 123.A O no hydrogen 3.503 N/A SER 92.A N LYS 123.A O no hydrogen 2.959 N/A SER 92.A OG SER 64.A O no hydrogen 3.326 N/A SER 92.A OG SER 64.A OG.B no hydrogen 2.860 N/A SER 92.A OG LEU 93.A O no hydrogen 2.810 N/A LEU 93.A N SER 64.A O no hydrogen 2.855 N/A VAL 94.A N VAL 125.A O no hydrogen 2.920 N/A SER 97.A N GLU 166.A OE1 no hydrogen 2.819 N/A SER 97.A OG GLU 166.A OE1 no hydrogen 3.461 N/A SER 97.A OG GLU 166.A OE2 no hydrogen 2.636 N/A GLU 98.A N HIS 96.A ND1 no hydrogen 3.089 N/A ARG 99.A N HIS 96.A O no hydrogen 2.882 N/A ARG 99.A NE GLU 105.A OE2 no hydrogen 2.936 N/A ARG 100.A N HIS 96.A O no hydrogen 3.121 N/A ARG 100.A NE GLY 95.A O no hydrogen 2.828 N/A ARG 100.A NE CYS 127.A O no hydrogen 3.423 N/A ARG 100.A NH1 ASP 107.A OD1 no hydrogen 2.956 N/A ARG 100.A NH2 CYS 127.A O no hydrogen 2.920 N/A GLN 101.A N SER 97.A O no hydrogen 2.863 N/A TYR 102.A N GLU 98.A O no hydrogen 2.877 N/A TYR 103.A N ARG 99.A O no hydrogen 3.018 N/A GLU 105.A N ARG 99.A O no hydrogen 3.321 N/A ILE 109.A N THR 106.A OG1 no hydrogen 3.085 N/A VAL 110.A N THR 106.A O no hydrogen 2.948 N/A ASN 111.A N ASP 107.A O no hydrogen 2.945 N/A ASN 111.A ND2 ALA 151.A O no hydrogen 2.971 N/A ASN 111.A ND2 LYS 153.A O no hydrogen 2.907 N/A ASN 112.A N GLN 108.A O no hydrogen 3.026 N/A LYS 113.A N ILE 109.A O no hydrogen 2.915 N/A LYS 113.A NZ ASN 66.A OD1 no hydrogen 2.691 N/A LYS 113.A NZ ILE 67.A O no hydrogen 3.197 N/A LYS 113.A NZ GLU 105.A OE2 no hydrogen 2.656 N/A VAL 114.A N VAL 110.A O no hydrogen 2.813 N/A LYS 115.A N ASN 111.A O no hydrogen 2.966 N/A LYS 116.A N ASN 112.A O no hydrogen 2.886 N/A LYS 116.A NZ GLU 82.A OE1.B no hydrogen 3.274 N/A GLY 117.A N LYS 113.A O no hydrogen 2.871 N/A LEU 118.A N VAL 114.A O no hydrogen 2.943 N/A GLU 119.A N LYS 115.A O no hydrogen 2.958 N/A ASN 120.A N LYS 116.A O no hydrogen 3.189 N/A ASN 120.A N GLY 117.A O no hydrogen 3.184 N/A ASN 120.A ND2 LYS 116.A O no hydrogen 2.782 N/A GLY 121.A N LEU 118.A O no hydrogen 2.956 N/A LEU 122.A N GLY 117.A O no hydrogen 3.052 N/A LYS 123.A N ASP 90.A O no hydrogen 2.870 N/A LYS 123.A NZ GLU 35.A OE1 no hydrogen 2.736 N/A LYS 123.A NZ GLU 35.A OE2 no hydrogen 3.223 N/A ILE 124.A N ASN 160.A O no hydrogen 2.875 N/A VAL 125.A N SER 92.A O no hydrogen 2.898 N/A LEU 126.A N VAL 162.A O no hydrogen 2.850 N/A CYS 127.A N VAL 94.A O no hydrogen 3.000 N/A CYS 127.A SG VAL 94.A O no hydrogen 3.930 N/A CYS 127.A SG VAL 125.A O no hydrogen 3.927 N/A ILE 128.A N ALA 164.A O no hydrogen 3.023 N/A GLY 129.A N GLN 147.A OE1 no hydrogen 2.838 N/A GLU 130.A N GLU 130.A OE1 no hydrogen 2.823 N/A SER 131.A N GLU 134.A OE1 no hydrogen 2.912 N/A SER 131.A OG SER 133.A OG.A no hydrogen 3.222 N/A SER 133.A OG.A SER 131.A OG no hydrogen 3.222 N/A GLU 134.A N SER 131.A OG no hydrogen 3.202 N/A ARG 135.A N SER 131.A O no hydrogen 2.839 N/A ARG 135.A NH1 GLU 130.A OE2 no hydrogen 2.904 N/A GLU 136.A N LEU 132.A O no hydrogen 2.905 N/A THR 137.A N SER 133.A O no hydrogen 3.067 N/A THR 137.A OG1 SER 133.A O no hydrogen 2.811 N/A THR 137.A OG1 GLU 134.A O no hydrogen 3.388 N/A GLY 138.A N ARG 135.A O no hydrogen 3.162 N/A LYS 139.A N GLU 134.A O no hydrogen 2.895 N/A THR 140.A OG1 GLU 130.A OE2 no hydrogen 2.687 N/A VAL 143.A N LYS 139.A O no hydrogen 2.832 N/A ILE 144.A N THR 140.A O no hydrogen 2.989 N/A GLN 145.A N ASN 141.A O no hydrogen 2.967 N/A LYS 146.A N ASP 142.A O no hydrogen 2.993 N/A LYS 146.A NZ.A ASP 107.A OD2 no hydrogen 2.772 N/A GLN 147.A N VAL 143.A O no hydrogen 2.882 N/A GLN 147.A NE2 GLY 129.A O no hydrogen 3.647 N/A LEU 148.A N ILE 144.A O no hydrogen 2.957 N/A THR 149.A N GLN 145.A O no hydrogen 2.884 N/A THR 149.A OG1 GLN 145.A O no hydrogen 2.718 N/A GLU 150.A N LYS 146.A O no hydrogen 2.962 N/A ALA 151.A N GLN 147.A O no hydrogen 2.885 N/A LEU 152.A N LEU 148.A O no hydrogen 3.003 N/A LYS 153.A N GLU 150.A O no hydrogen 3.401 N/A LYS 153.A NZ ASP 154.A OD2 no hydrogen 3.250 N/A VAL 155.A N LEU 152.A O no hydrogen 3.030 N/A SER 159.A N ASP 157.A OD1 no hydrogen 2.896 N/A SER 159.A OG ASP 157.A OD1 no hydrogen 2.782 N/A LEU 161.A N LEU 158.A O no hydrogen 3.031 N/A VAL 162.A N ILE 124.A O no hydrogen 2.879 N/A ILE 163.A N ARG 206.A O no hydrogen 2.981 N/A ALA 164.A N LEU 126.A O no hydrogen 2.833 N/A TYR 165.A N ILE 208.A O no hydrogen 2.935 N/A TYR 165.A OH GLU 130.A OE1 no hydrogen 2.575 N/A TYR 165.A OH GLU 130.A OE2 no hydrogen 3.324 N/A GLU 166.A N ILE 128.A O no hydrogen 2.823 N/A ILE 168.A N GLU 166.A O no hydrogen 2.773 N/A TRP 169.A N GLU 130.A O no hydrogen 3.189 N/A TRP 169.A NE1 TYR 165.A OH no hydrogen 2.971 N/A ALA 170.A N PRO 167.A O no hydrogen 2.803 N/A ILE 171.A N ILE 168.A O no hydrogen 3.097 N/A THR 173.A OG1 TRP 169.A O no hydrogen 2.671 N/A VAL 175.A N THR 173.A OG1 no hydrogen 3.113 N/A THR 178.A N GLN 181.A OE1 no hydrogen 2.891 N/A GLN 181.A N THR 178.A OG1 no hydrogen 3.076 N/A ALA 182.A N THR 178.A O no hydrogen 3.068 N/A GLN 183.A N PRO 179.A O no hydrogen 2.819 N/A GLN 183.A NE2 ASP 226.A OD1 no hydrogen 2.791 N/A GLU 184.A N GLY 180.A O no hydrogen 2.924 N/A ALA 185.A N GLN 181.A O no hydrogen 3.065 N/A HIS 186.A N ALA 182.A O no hydrogen 2.890 N/A HIS 186.A ND1 ASP 226.A O no hydrogen 2.997 N/A ALA 187.A N GLN 183.A O no hydrogen 2.818 N/A PHE 188.A N GLU 184.A O no hydrogen 3.061 N/A ILE 189.A N ALA 185.A O no hydrogen 2.925 N/A ARG 190.A N HIS 186.A O no hydrogen 2.946 N/A ARG 190.A NE ASP 226.A OD2 no hydrogen 2.726 N/A ARG 190.A NH1 SER 202.A O no hydrogen 2.838 N/A ARG 190.A NH1 LEU 205.A O no hydrogen 2.731 N/A ARG 190.A NH2 ASP 226.A O no hydrogen 3.084 N/A ARG 190.A NH2 ASP 228.A OD2 no hydrogen 2.827 N/A GLU 191.A N ALA 187.A O no hydrogen 2.905 N/A TYR 192.A N PHE 188.A O no hydrogen 2.893 N/A TYR 192.A OH THR 149.A OG1 no hydrogen 3.196 N/A VAL 193.A N ILE 189.A O no hydrogen 2.915 N/A THR 194.A N ARG 190.A O no hydrogen 2.944 N/A THR 194.A OG1 ARG 190.A O no hydrogen 3.132 N/A THR 194.A OG1 SER 202.A OG no hydrogen 2.675 N/A ARG 195.A N GLU 191.A O no hydrogen 3.213 N/A MET 196.A N TYR 192.A O no hydrogen 2.920 N/A TYR 197.A N VAL 193.A O no hydrogen 2.799 N/A TYR 197.A OH VAL 155.A O no hydrogen 2.590 N/A VAL 201.A N ASN 198.A OD1 no hydrogen 2.952 N/A SER 202.A N ASN 198.A O no hydrogen 3.034 N/A SER 202.A OG THR 194.A OG1 no hydrogen 2.675 N/A SER 202.A OG PRO 199.A O no hydrogen 3.326 N/A SER 203.A N PRO 199.A O no hydrogen 2.972 N/A SER 203.A OG PRO 199.A O no hydrogen 3.283 N/A SER 203.A OG GLN 200.A O no hydrogen 2.857 N/A ASN 204.A N GLN 200.A O no hydrogen 3.212 N/A ASN 204.A N VAL 201.A O no hydrogen 3.054 N/A LEU 205.A N SER 202.A O no hydrogen 3.308 N/A ARG 206.A NH1 GLU 35.A OE2 no hydrogen 2.877 N/A ARG 206.A NH2 LYS 3.A O no hydrogen 2.860 N/A ARG 206.A NH2 GLU 35.A OE2 no hydrogen 2.827 N/A ILE 207.A N ASP 228.A OD2 no hydrogen 2.949 N/A ILE 208.A N ILE 163.A O no hydrogen 2.741 N/A TYR 209.A N GLY 229.A O no hydrogen 2.919 N/A GLY 210.A N TYR 165.A O no hydrogen 2.706 N/A THR 214.A N ASN 217.A OD1 no hydrogen 2.917 N/A ASP 216.A N THR 214.A OG1 no hydrogen 2.963 N/A ASN 217.A N THR 214.A O no hydrogen 3.242 N/A ASN 217.A ND2 SER 212.A O no hydrogen 2.921 N/A CYS 218.A N THR 214.A O no hydrogen 3.209 N/A CYS 218.A SG THR 214.A O no hydrogen 3.573 N/A CYS 218.A SG PRO 215.A O no hydrogen 3.721 N/A CYS 218.A SG ASN 219.A OD1 no hydrogen 3.845 N/A CYS 218.A SG LYS 243.A O no hydrogen 3.974 N/A LEU 221.A N ASN 217.A O no hydrogen 3.147 N/A ILE 222.A N CYS 218.A O no hydrogen 3.051 N/A LYS 223.A NZ ASN 219.A O no hydrogen 3.115 N/A CYS 224.A N LEU 221.A O no hydrogen 3.064 N/A CYS 224.A SG PRO 179.A O no hydrogen 3.844 N/A CYS 224.A SG GLU 220.A O no hydrogen 4.037 N/A ASP 226.A N GLN 183.A OE1 no hydrogen 2.853 N/A ILE 227.A N CYS 224.A O no hydrogen 3.177 N/A ASP 228.A N ILE 207.A O no hydrogen 2.933 N/A PHE 230.A N PHE 5.A O no hydrogen 3.017 N/A LEU 231.A N TYR 209.A O no hydrogen 2.904 N/A VAL 232.A N GLY 7.A O no hydrogen 2.802 N/A SER 236.A N GLY 233.A O no hydrogen 2.881 N/A SER 236.A OG GLY 233.A O no hydrogen 2.840 N/A LEU 237.A N GLY 234.A O no hydrogen 3.034 N/A LYS 238.A N ALA 235.A O no hydrogen 3.413 N/A PHE 241.A N LYS 238.A O no hydrogen 2.963 N/A ALA 242.A N PRO 239.A O no hydrogen 2.994 N/A LYS 243.A N THR 240.A O no hydrogen 2.876 N/A ILE 245.A N PHE 241.A O no hydrogen 3.026 N/A GLU 246.A N ALA 242.A O no hydrogen 2.928 N/A SER 247.A N LYS 243.A O no hydrogen 3.022 N/A SER 247.A N ILE 244.A O no hydrogen 3.152 N/A SER 247.A OG ILE 244.A O no hydrogen 2.735 N/A ALA 248.A N ILE 245.A O no hydrogen 3.109 N/A GLN 249.A N GLU 246.A O no hydrogen 3.248 N/A