Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7ajk_CCC.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 8.A N ASN 4.A O no hydrogen 3.148 N/A LEU 10.A N VAL 6.A O no hydrogen 3.133 N/A ASP 12.A N VAL 9.A O no hydrogen 3.398 N/A ALA 13.A N LEU 10.A O no hydrogen 2.987 N/A ILE 16.A N ASP 12.A O no hydrogen 3.086 N/A LEU 17.A N ALA 13.A O no hydrogen 3.130 N/A GLU 18.A N GLU 14.A O no hydrogen 3.006 N/A ASP 19.A N GLY 15.A O no hydrogen 3.011 N/A LEU 20.A N ILE 16.A O no hydrogen 2.933 N/A GLN 21.A N LEU 17.A O no hydrogen 3.044 N/A SER 22.A OG GLU 18.A O no hydrogen 3.076 N/A SER 22.A OG ASP 19.A O no hydrogen 2.897 N/A GLU 29.A N GLU 29.A OE2 no hydrogen 2.608 N/A ILE 30.A N ALA 26.A O no hydrogen 3.174 N/A ARG 31.A N GLY 27.A O no hydrogen 3.054 N/A GLU 32.A N HIS 28.A O no hydrogen 3.250 N/A ALA 33.A N GLU 29.A O no hydrogen 3.167 N/A ILE 34.A N ILE 30.A O no hydrogen 3.087 N/A GLN 35.A N ARG 31.A O no hydrogen 2.870 N/A HIS 36.A N GLU 32.A O no hydrogen 3.059 N/A ASP 39.A N HIS 36.A O no hydrogen 3.395 N/A LEU 42.A N ASP 39.A O no hydrogen 3.170 N/A GLN 43.A N ASP 39.A O no hydrogen 3.195 N/A GLN 43.A NE2 PRO 37.A O no hydrogen 3.143 N/A GLU 44.A N GLU 40.A O no hydrogen 3.217 N/A ALA 46.A N LEU 42.A O no hydrogen 3.237 N/A TRP 47.A N GLN 43.A O no hydrogen 2.997 N/A GLY 48.A N GLU 44.A O no hydrogen 2.732 N/A ALA 49.A N LYS 45.A O no hydrogen 3.096 N/A VAL 50.A N ALA 46.A O no hydrogen 3.078 N/A VAL 50.A N TRP 47.A O no hydrogen 3.137 N/A VAL 51.A N TRP 47.A O no hydrogen 3.286 N/A VAL 54.A N VAL 50.A O no hydrogen 2.923 N/A GLY 55.A N VAL 51.A O no hydrogen 3.129 N/A LYS 56.A N PRO 52.A O no hydrogen 3.417 N/A LYS 56.A NZ ASP 19.A O no hydrogen 3.485 N/A LEU 57.A N LEU 53.A O no hydrogen 2.991 N/A LYS 58.A N VAL 54.A O no hydrogen 2.742 N/A LYS 59.A N GLY 55.A O no hydrogen 3.064 N/A PHE 60.A N LYS 56.A O no hydrogen 2.821 N/A TYR 61.A N LEU 57.A O no hydrogen 2.941 N/A GLU 62.A N LYS 58.A O no hydrogen 2.874 N/A PHE 63.A N LYS 59.A O no hydrogen 3.347 N/A SER 64.A N PHE 60.A O no hydrogen 3.258 N/A SER 64.A OG TYR 61.A O no hydrogen 2.402 N/A GLN 65.A N TYR 61.A O no hydrogen 3.150 N/A ARG 66.A N GLU 62.A O no hydrogen 3.093 N/A LEU 67.A N PHE 63.A O no hydrogen 2.864 N/A GLU 68.A N SER 64.A O no hydrogen 2.797 N/A ALA 69.A N GLN 65.A O no hydrogen 2.827 N/A ALA 70.A N ARG 66.A O no hydrogen 2.848 N/A LEU 71.A N LEU 67.A O no hydrogen 3.014 N/A ARG 72.A N GLU 68.A O no hydrogen 3.024 N/A GLY 73.A N ALA 69.A O no hydrogen 2.929 N/A LEU 74.A N ALA 70.A O no hydrogen 2.957 N/A LEU 75.A N LEU 71.A O no hydrogen 2.931 N/A GLY 76.A N ARG 72.A O no hydrogen 2.717 N/A LEU 78.A N LEU 75.A O no hydrogen 3.154 N/A THR 79.A OG1 GLY 76.A O no hydrogen 2.801 N/A LEU 82.A N HIS 81.A ND1 no hydrogen 3.026 N/A LYS 90.A N GLN 86.A O no hydrogen 2.481 N/A LYS 90.A NZ GLU 94.A OE1 no hydrogen 2.692 N/A GLN 91.A N ALA 87.A O no hydrogen 2.953 N/A GLN 91.A NE2 TYR 3.A O no hydrogen 2.616 N/A PHE 92.A N LEU 88.A O no hydrogen 2.973 N/A ALA 93.A N ALA 89.A O no hydrogen 3.190 N/A GLU 94.A N LYS 90.A O no hydrogen 3.213 N/A ILE 95.A N GLN 91.A O no hydrogen 3.002 N/A LEU 96.A N PHE 92.A O no hydrogen 2.980 N/A HIS 97.A N ALA 93.A O no hydrogen 3.042 N/A PHE 98.A N GLU 94.A O no hydrogen 3.347 N/A THR 99.A N ILE 95.A O no hydrogen 2.724 N/A THR 99.A OG1 ILE 95.A O no hydrogen 2.583 N/A LEU 100.A N LEU 96.A O no hydrogen 3.022 N/A ARG 101.A N PHE 98.A O no hydrogen 3.132 N/A PHE 102.A N PHE 98.A O no hydrogen 3.015 N/A ASP 103.A N THR 99.A O no hydrogen 3.016 N/A GLU 104.A N LEU 100.A O no hydrogen 3.064 N/A LEU 105.A N ARG 101.A O no hydrogen 2.935 N/A LYS 106.A N PHE 102.A O no hydrogen 3.026 N/A LYS 106.A NZ GLN 113.A OE1 no hydrogen 2.740 N/A LYS 106.A NZ TYR 142.A O no hydrogen 2.664 N/A LYS 106.A NZ GLU 144.A O no hydrogen 2.749 N/A MET 107.A N ASP 103.A O no hydrogen 2.727 N/A THR 108.A OG1 GLU 104.A O no hydrogen 3.180 N/A ASN 109.A ND2 TYR 23.A O no hydrogen 3.213 N/A ILE 112.A N ASN 109.A O no hydrogen 3.484 N/A ASN 114.A N PRO 110.A O no hydrogen 3.148 N/A ASP 115.A N ALA 111.A O no hydrogen 2.777 N/A PHE 116.A N ILE 112.A O no hydrogen 3.090 N/A SER 117.A N GLN 113.A O no hydrogen 2.889 N/A SER 117.A OG GLN 113.A O no hydrogen 2.546 N/A TYR 118.A N ASN 114.A O no hydrogen 3.099 N/A TYR 119.A N ASP 115.A O no hydrogen 2.924 N/A ARG 120.A N PHE 116.A O no hydrogen 3.135 N/A ARG 120.A NH1 ASN 136.A OD1 no hydrogen 3.523 N/A ARG 121.A N TYR 118.A O no hydrogen 2.871 N/A THR 122.A N TYR 118.A O no hydrogen 2.810 N/A THR 122.A N TYR 119.A O no hydrogen 3.303 N/A THR 122.A OG1 TYR 119.A O no hydrogen 2.959 N/A SER 124.A OG ARG 120.A O no hydrogen 3.203 N/A ARG 125.A N ARG 121.A O no hydrogen 3.508 N/A MET 126.A N THR 122.A O no hydrogen 3.144 N/A ARG 127.A N SER 124.A O no hydrogen 2.609 N/A ILE 128.A N SER 124.A O no hydrogen 3.195 N/A ALA 135.A N ASN 131.A O no hydrogen 3.023 N/A ASN 136.A N ASN 132.A O no hydrogen 3.327 N/A MET 138.A N LEU 134.A O no hydrogen 2.904 N/A SER 139.A N ALA 135.A O no hydrogen 2.817 N/A LEU 140.A N ASN 136.A O no hydrogen 3.209 N/A PHE 141.A N ARG 137.A O no hydrogen 2.937 N/A TYR 142.A N MET 138.A O no hydrogen 3.100 N/A TYR 142.A OH LEU 57.A O no hydrogen 2.468 N/A ALA 143.A N SER 139.A O no hydrogen 3.173 N/A MET 148.A N ASP 103.A OD1 no hydrogen 3.097 N/A LEU 149.A N ASP 103.A OD2 no hydrogen 3.297 N/A LYS 150.A N THR 146.A O no hydrogen 3.011 N/A THR 151.A N PRO 147.A O no hydrogen 2.877 N/A THR 151.A OG1 PRO 147.A O no hydrogen 2.720 N/A LEU 152.A N MET 148.A O no hydrogen 2.737 N/A SER 153.A N LEU 149.A O no hydrogen 2.903 N/A SER 153.A OG LEU 149.A O no hydrogen 2.755 N/A SER 153.A OG LYS 150.A O no hydrogen 2.944 N/A ASP 154.A N LYS 150.A O no hydrogen 3.015 N/A ALA 155.A N THR 151.A O no hydrogen 3.010 N/A THR 156.A N LEU 152.A O no hydrogen 2.885 N/A THR 156.A OG1 LEU 152.A O no hydrogen 3.002 N/A THR 156.A OG1 SER 153.A O no hydrogen 2.925 N/A THR 157.A N SER 153.A O no hydrogen 3.028 N/A THR 157.A OG1 SER 153.A O no hydrogen 2.634 N/A THR 157.A OG1 ASP 154.A O no hydrogen 2.832 N/A LYS 158.A N ASP 154.A O no hydrogen 2.816 N/A LYS 158.A NZ GLU 68.A OE2 no hydrogen 3.358 N/A PHE 159.A N ALA 155.A O no hydrogen 3.106 N/A VAL 160.A N THR 156.A O no hydrogen 3.120 N/A SER 161.A N THR 157.A O no hydrogen 3.008 N/A SER 161.A OG THR 157.A O no hydrogen 2.811 N/A SER 161.A OG LYS 158.A O no hydrogen 2.667 N/A GLU 162.A N LYS 158.A O no hydrogen 3.268 N/A GLU 162.A N PHE 159.A O no hydrogen 3.203 N/A ASN 163.A N VAL 160.A O no hydrogen 3.233 N/A LYS 164.A NZ SER 161.A O no hydrogen 2.903 N/A LEU 166.A N ASN 163.A O no hydrogen 3.165 N/A ASN 170.A N PRO 167.A O no hydrogen 3.273 N/A THR 171.A OG1 ILE 168.A O no hydrogen 3.146 N/A THR 172.A N ILE 168.A O no hydrogen 3.084 N/A THR 172.A OG1 ILE 168.A O no hydrogen 2.673 N/A THR 172.A OG1 GLU 169.A O no hydrogen 3.419 N/A ASP 173.A N GLU 169.A O no hydrogen 2.576 N/A CYS 174.A SG THR 171.A O no hydrogen 3.097 N/A SER 176.A N ASP 173.A O no hydrogen 2.898 N/A SER 176.A OG THR 172.A O no hydrogen 3.451 N/A SER 176.A OG ASP 173.A O no hydrogen 2.740 N/A THR 177.A N ASP 173.A O no hydrogen 2.818 N/A THR 177.A OG1 ASP 173.A O no hydrogen 2.916 N/A THR 177.A OG1 CYS 174.A O no hydrogen 3.075 N/A MET 178.A N CYS 174.A O no hydrogen 3.070 N/A SER 180.A N THR 177.A O no hydrogen 3.182 N/A SER 180.A OG SER 176.A O no hydrogen 3.272 N/A SER 180.A OG THR 177.A O no hydrogen 2.550 N/A VAL 181.A N THR 177.A O no hydrogen 3.078 N/A CYS 182.A N MET 178.A O no hydrogen 3.055 N/A CYS 182.A SG MET 178.A O no hydrogen 3.035 N/A ARG 183.A N ALA 179.A O no hydrogen 3.268 N/A VAL 184.A N SER 180.A O no hydrogen 3.064 N/A MET 185.A N VAL 181.A O no hydrogen 2.954 N/A LEU 186.A N CYS 182.A O no hydrogen 2.776 N/A GLU 187.A N ARG 183.A O no hydrogen 2.575 N/A ARG 192.A NH2 SER 193.A O no hydrogen 3.243 N/A THR 196.A N GLU 199.A OE1 no hydrogen 3.079 N/A GLU 199.A N THR 196.A OG1 no hydrogen 3.209 N/A THR 200.A N THR 196.A O no hydrogen 3.032 N/A THR 200.A OG1 THR 196.A O no hydrogen 2.722 N/A THR 200.A OG1 ASN 197.A O no hydrogen 3.079 N/A SER 202.A N GLU 198.A O no hydrogen 3.065 N/A PHE 203.A N GLU 199.A O no hydrogen 2.569 N/A CYS 204.A N THR 200.A O no hydrogen 2.895 N/A LEU 205.A N VAL 201.A O no hydrogen 3.222 N/A ARG 206.A N SER 202.A O no hydrogen 3.133 N/A VAL 207.A N PHE 203.A O no hydrogen 2.936 N/A MET 208.A N CYS 204.A O no hydrogen 3.242 N/A VAL 209.A N LEU 205.A O no hydrogen 3.260 N/A GLY 210.A N ARG 206.A O no hydrogen 2.574 N/A VAL 211.A N VAL 207.A O no hydrogen 2.687 N/A ILE 212.A N MET 208.A O no hydrogen 3.376 N/A ILE 213.A N VAL 209.A O no hydrogen 3.092 N/A LEU 214.A N GLY 210.A O no hydrogen 3.084 N/A TYR 215.A N VAL 211.A O no hydrogen 2.749 N/A ASP 216.A N ILE 212.A O no hydrogen 2.828 N/A HIS 217.A N ILE 213.A O no hydrogen 3.149 N/A VAL 218.A N LEU 214.A O no hydrogen 3.153 N/A HIS 219.A N TYR 215.A O no hydrogen 2.891 N/A ALA 223.A N ASP 216.A OD1 no hydrogen 2.893 N/A SER 228.A OG GLY 222.A O no hydrogen 2.867 N/A ILE 230.A N SER 228.A OG no hydrogen 3.403 N/A GLY 234.A N ASP 231.A O no hydrogen 3.279 N/A CYS 235.A SG ILE 230.A O no hydrogen 4.018 N/A CYS 235.A SG ASP 231.A O no hydrogen 3.908 N/A ILE 236.A N MET 232.A O no hydrogen 2.878 N/A LYS 237.A N LYS 233.A O no hydrogen 3.343 N/A VAL 238.A N GLY 234.A O no hydrogen 3.212 N/A LEU 239.A N CYS 235.A O no hydrogen 3.330 N/A LYS 240.A N ILE 236.A O no hydrogen 2.944 N/A ASP 241.A N LYS 237.A O no hydrogen 3.030 N/A GLN 242.A N LEU 239.A O no hydrogen 3.201 N/A SER 246.A OG PRO 243.A O no hydrogen 2.913 N/A LEU 251.A N VAL 247.A O no hydrogen 2.721 N/A ASN 252.A N GLU 248.A O no hydrogen 3.011 N/A ALA 253.A N GLY 249.A O no hydrogen 3.320 N/A LEU 254.A N LEU 250.A O no hydrogen 3.331 N/A ARG 255.A NE ASN 252.A OD1 no hydrogen 3.215 N/A ARG 255.A NH2 ASN 252.A OD1 no hydrogen 2.996 N/A TYR 256.A N ASN 252.A O no hydrogen 3.165 N/A THR 257.A N ALA 253.A O no hydrogen 2.795 N/A THR 258.A OG1 LEU 254.A O no hydrogen 3.161 N/A LYS 259.A N ASP 216.A OD2 no hydrogen 2.792 N/A LYS 259.A NZ HIS 217.A O no hydrogen 3.338 N/A HIS 260.A N ASP 216.A OD2 no hydrogen 3.131 N/A THR 265.A OG1 ASP 263.A OD2 no hydrogen 2.936 N/A THR 266.A N ASP 263.A O no hydrogen 3.308 N/A THR 266.A OG1 HIS 260.A O no hydrogen 2.625 N/A THR 266.A OG1 LEU 261.A O no hydrogen 3.252 N/A THR 266.A OG1 ASP 263.A O no hydrogen 3.543 N/A THR 266.A OG1 ASP 263.A OD1 no hydrogen 2.555 N/A GLN 269.A N SER 267.A OG no hydrogen 3.429 N/A LYS 271.A NZ ASN 262.A O no hydrogen 3.127 N/A SER 272.A N GLN 269.A O no hydrogen 3.247 N/A SER 272.A OG LYS 268.A O no hydrogen 3.473 N/A