Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3lck_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ GLU 7.A OE1 no hydrogen 3.033 N/A GLU 5.A N PRO 2.A O no hydrogen 2.877 N/A ASP 6.A N PRO 2.A O no hydrogen 2.827 N/A TRP 8.A N ASP 6.A OD2 no hydrogen 2.994 N/A GLU 9.A N ASP 6.A O no hydrogen 3.307 N/A VAL 10.A N VAL 76.A O.A no hydrogen 3.047 N/A VAL 10.A N VAL 76.A O.B no hydrogen 3.087 N/A ARG 12.A NH1 PRO 81.A O no hydrogen 2.758 N/A ARG 12.A NH2 GLN 79.A O no hydrogen 2.890 N/A ARG 12.A NH2 GLN 79.A OE1 no hydrogen 3.040 N/A ARG 12.A NH2 PRO 81.A O no hydrogen 3.411 N/A GLU 13.A N GLU 13.A OE1 no hydrogen 2.719 N/A THR 14.A N PRO 11.A O no hydrogen 3.062 N/A THR 14.A OG1 PRO 11.A O no hydrogen 2.826 N/A LEU 15.A N ARG 12.A O no hydrogen 3.063 N/A LYS 16.A N TYR 33.A O no hydrogen 2.944 N/A VAL 18.A N MET 31.A O no hydrogen 2.805 N/A GLU 19.A N MET 31.A O no hydrogen 3.011 N/A ARG 20.A NH1 GLU 28.A OE2 no hydrogen 3.274 N/A LEU 21.A N VAL 29.A O.A no hydrogen 2.638 N/A LEU 21.A N VAL 29.A O.B no hydrogen 2.625 N/A GLY 22.A N VAL 29.A O.A no hydrogen 3.101 N/A GLY 22.A N VAL 29.A O.B no hydrogen 3.099 N/A GLY 24.A N GLY 27.A O no hydrogen 2.789 N/A GLY 27.A N GLY 24.A O no hydrogen 3.315 N/A GLU 28.A N SER 44.A O.A no hydrogen 3.218 N/A GLU 28.A N SER 44.A O.B no hydrogen 3.193 N/A GLU 28.A N SER 44.A OG.A no hydrogen 3.365 N/A VAL 29.A N.A GLY 22.A O no hydrogen 2.904 N/A VAL 29.A N.B GLY 22.A O no hydrogen 2.898 N/A TRP 30.A N VAL 42.A O no hydrogen 2.807 N/A TRP 30.A NE1 GLU 28.A OE1 no hydrogen 2.956 N/A MET 31.A N GLU 19.A O no hydrogen 2.750 N/A GLY 32.A N VAL 40.A O no hydrogen 2.873 N/A TYR 33.A N LYS 16.A O no hydrogen 2.908 N/A TYR 34.A N THR 38.A O no hydrogen 2.824 N/A ASN 35.A N THR 14.A O no hydrogen 2.746 N/A ASN 35.A ND2 THR 14.A O no hydrogen 3.652 N/A HIS 37.A N.A ASN 35.A O no hydrogen 2.827 N/A HIS 37.A N.B ASN 35.A O no hydrogen 2.820 N/A THR 38.A N TYR 34.A O no hydrogen 3.220 N/A VAL 40.A N GLY 32.A O no hydrogen 2.844 N/A ALA 41.A N THR 86.A O no hydrogen 2.965 N/A VAL 42.A N TRP 30.A O no hydrogen 2.763 N/A LYS 43.A N ILE 84.A O.A no hydrogen 2.842 N/A LYS 43.A N ILE 84.A O.B no hydrogen 2.895 N/A LYS 43.A NZ GLU 58.A OE1 no hydrogen 2.822 N/A SER 44.A N.A GLU 28.A O no hydrogen 2.771 N/A SER 44.A N.B GLU 28.A O no hydrogen 2.774 N/A SER 44.A OG.A GLU 28.A O no hydrogen 3.440 N/A LEU 45.A N ILE 82.A O no hydrogen 2.960 N/A LYS 46.A N PHE 26.A O no hydrogen 2.878 N/A GLN 47.A N.A GLN 47.A OE1.A no hydrogen 2.891 N/A SER 49.A N LYS 46.A O no hydrogen 2.981 N/A SER 49.A OG LYS 46.A O no hydrogen 2.804 N/A ASP 53.A N SER 51.A OG no hydrogen 2.957 N/A ALA 54.A N SER 51.A OG no hydrogen 3.196 N/A PHE 55.A N SER 51.A O no hydrogen 2.884 N/A LEU 56.A N PRO 52.A O.A no hydrogen 2.992 N/A LEU 56.A N PRO 52.A O.B no hydrogen 2.959 N/A ALA 57.A N ASP 53.A O no hydrogen 2.957 N/A GLU 58.A N PHE 55.A O no hydrogen 3.372 N/A ASN 60.A N LEU 56.A O no hydrogen 3.028 N/A LEU 61.A N ALA 57.A O no hydrogen 3.015 N/A MET 62.A N GLU 58.A O no hydrogen 3.021 N/A LYS 63.A N ALA 59.A O no hydrogen 3.143 N/A LYS 63.A N ASN 60.A O no hydrogen 3.283 N/A LYS 63.A NZ ASP 6.A OD1 no hydrogen 2.912 N/A LYS 63.A NZ ASP 6.A OD2 no hydrogen 3.506 N/A LYS 63.A NZ ASN 60.A OD1 no hydrogen 3.321 N/A GLN 64.A N LEU 61.A O no hydrogen 2.967 N/A LEU 65.A N MET 62.A O no hydrogen 3.108 N/A GLN 66.A NE2 LYS 63.A O no hydrogen 2.886 N/A ARG 69.A N HIS 67.A ND1 no hydrogen 2.918 N/A ARG 69.A NE CYS 148.A O no hydrogen 2.978 N/A ARG 69.A NH2 CYS 148.A O no hydrogen 2.971 N/A LEU 70.A N HIS 67.A O no hydrogen 3.083 N/A VAL 71.A N ILE 150.A O no hydrogen 2.888 N/A ARG 72.A N GLU 87.A OE1 no hydrogen 2.946 N/A TYR 74.A N ILE 85.A O no hydrogen 2.750 N/A ALA 75.A N ILE 85.A O no hydrogen 3.141 N/A VAL 76.A N.A TRP 8.A O no hydrogen 2.928 N/A VAL 76.A N.B TRP 8.A O no hydrogen 2.939 N/A VAL 77.A N TYR 83.A O no hydrogen 3.034 N/A THR 78.A N GLU 9.A OE2 no hydrogen 3.031 N/A THR 78.A OG1 GLU 9.A OE1 no hydrogen 3.112 N/A THR 78.A OG1 GLU 9.A OE2 no hydrogen 2.972 N/A TYR 83.A N VAL 77.A O no hydrogen 2.932 N/A ILE 84.A N.A LYS 43.A O no hydrogen 2.885 N/A ILE 84.A N.B LYS 43.A O no hydrogen 2.886 N/A ILE 85.A N ALA 75.A O no hydrogen 2.806 N/A THR 86.A N ALA 41.A O no hydrogen 2.859 N/A GLU 87.A N ARG 72.A O no hydrogen 2.910 N/A ASN 91.A N VAL 142.A O no hydrogen 2.787 N/A ASN 91.A ND2 SER 143.A O no hydrogen 2.916 N/A GLY 92.A N MET 89.A O no hydrogen 3.123 N/A SER 93.A OG.B ALA 137.A O no hydrogen 3.311 N/A SER 93.A OG.B ALA 138.A O no hydrogen 2.911 N/A LEU 94.A N ILE 140.A O no hydrogen 2.837 N/A VAL 95.A N ALA 137.A O no hydrogen 3.297 N/A ASP 96.A N SER 93.A O.A no hydrogen 3.075 N/A ASP 96.A N SER 93.A O.B no hydrogen 3.015 N/A ASP 96.A N SER 93.A OG.A no hydrogen 3.217 N/A PHE 97.A N SER 93.A O.A no hydrogen 2.771 N/A PHE 97.A N SER 93.A O.B no hydrogen 2.751 N/A LEU 98.A N.A LEU 94.A O no hydrogen 2.985 N/A LEU 98.A N.B LEU 94.A O no hydrogen 2.960 N/A LYS 99.A N ASP 96.A O no hydrogen 3.007 N/A THR 100.A N PHE 97.A O no hydrogen 3.050 N/A THR 100.A OG1 PHE 97.A O no hydrogen 2.747 N/A GLY 103.A N THR 100.A OG1 no hydrogen 3.082 N/A ILE 104.A N THR 100.A O no hydrogen 2.805 N/A LYS 105.A N PRO 101.A O no hydrogen 3.295 N/A LEU 106.A N GLY 103.A O no hydrogen 3.117 N/A ASN 109.A ND2 PHE 267.A O no hydrogen 2.796 N/A ASN 109.A ND2 THR 270.A OG1 no hydrogen 2.663 N/A LYS 110.A N THR 107.A OG1 no hydrogen 3.090 N/A LYS 110.A NZ ASP 113.A OD2 no hydrogen 2.852 N/A LYS 110.A NZ LEU 146.A O no hydrogen 2.983 N/A LEU 111.A N THR 107.A O no hydrogen 3.072 N/A LEU 112.A N ILE 108.A O no hydrogen 2.850 N/A ASP 113.A N ASN 109.A O no hydrogen 3.000 N/A MET 114.A N LYS 110.A O no hydrogen 2.873 N/A ALA 115.A N LEU 111.A O no hydrogen 2.919 N/A ALA 116.A N LEU 112.A O no hydrogen 2.942 N/A GLN 117.A N ASP 113.A O no hydrogen 2.972 N/A GLN 117.A NE2 ASP 113.A OD1 no hydrogen 2.939 N/A GLN 117.A NE2 ASP 113.A OD2 no hydrogen 3.492 N/A ILE 118.A N MET 114.A O no hydrogen 3.063 N/A ALA 119.A N ALA 115.A O no hydrogen 3.000 N/A GLU 120.A N ALA 116.A O no hydrogen 2.833 N/A GLY 121.A N GLN 117.A O no hydrogen 3.030 N/A MET 122.A N ILE 118.A O no hydrogen 2.876 N/A ALA 123.A N ALA 119.A O no hydrogen 2.805 N/A PHE 124.A N GLU 120.A O no hydrogen 3.306 N/A ILE 125.A N GLY 121.A O no hydrogen 3.180 N/A GLU 126.A N MET 122.A O no hydrogen 2.834 N/A GLU 127.A N.A ALA 123.A O no hydrogen 2.876 N/A GLU 127.A N.B ALA 123.A O no hydrogen 2.890 N/A ARG 128.A N PHE 124.A O no hydrogen 2.944 N/A ARG 128.A NH1 GLU 127.A OE2.B no hydrogen 3.351 N/A ASN 129.A N GLU 126.A O no hydrogen 3.084 N/A TYR 130.A N ILE 125.A O no hydrogen 3.063 N/A ILE 131.A N ARG 157.A O no hydrogen 3.002 N/A HIS 132.A N ASP 191.A OD2 no hydrogen 2.771 N/A HIS 132.A NE2 ALA 151.A O no hydrogen 2.910 N/A ARG 133.A N ASP 191.A OD1 no hydrogen 2.917 N/A ARG 133.A NE LEU 155.A O no hydrogen 2.774 N/A ARG 133.A NH2 LEU 155.A O no hydrogen 3.139 N/A ASP 134.A N HIS 132.A ND1 no hydrogen 2.970 N/A ALA 137.A N GLU 201.A OE1 no hydrogen 2.775 N/A ASN 139.A N ARG 136.A O no hydrogen 2.923 N/A ASN 139.A ND2 ASP 134.A O no hydrogen 2.820 N/A ILE 140.A N ALA 137.A O no hydrogen 3.308 N/A LEU 141.A N LYS 149.A O no hydrogen 2.926 N/A VAL 142.A N GLY 92.A O no hydrogen 2.762 N/A SER 143.A N SER 147.A O no hydrogen 2.896 N/A SER 143.A OG THR 145.A OG1 no hydrogen 3.141 N/A SER 143.A OG SER 147.A O no hydrogen 3.521 N/A SER 143.A OG SER 147.A OG no hydrogen 2.652 N/A THR 145.A N SER 143.A OG no hydrogen 3.185 N/A THR 145.A OG1 SER 143.A OG no hydrogen 3.141 N/A LEU 146.A N SER 143.A O no hydrogen 3.028 N/A SER 147.A N SER 143.A OG no hydrogen 3.120 N/A SER 147.A OG SER 143.A OG no hydrogen 2.652 N/A CYS 148.A N GLN 117.A OE1 no hydrogen 2.782 N/A LYS 149.A N LEU 141.A O no hydrogen 2.962 N/A LYS 149.A NZ GLN 68.A O no hydrogen 2.929 N/A LYS 149.A NZ GLU 87.A OE2 no hydrogen 2.771 N/A ILE 150.A N ARG 69.A O no hydrogen 2.843 N/A ALA 151.A N ASN 139.A O no hydrogen 2.914 N/A PHE 153.A N GLU 58.A OE2 no hydrogen 2.976 N/A GLY 154.A N ASP 152.A OD1 no hydrogen 3.324 N/A ALA 156.A N PHE 153.A O no hydrogen 3.119 N/A ARG 157.A N ILE 131.A O no hydrogen 3.030 N/A ARG 157.A NH1 GLY 154.A O no hydrogen 3.144 N/A ARG 157.A NH1 ALA 156.A O no hydrogen 2.800 N/A ILE 159.A N ASN 129.A O no hydrogen 2.800 N/A ALA 165.A N GLY 184.A O no hydrogen 2.924 N/A ALA 169.A N ARG 166.A O no hydrogen 2.885 N/A LYS 170.A NZ GLY 168.A O no hydrogen 3.096 N/A LYS 174.A NZ PRO 209.A O.A no hydrogen 2.960 N/A LYS 174.A NZ PRO 209.A O.B no hydrogen 2.962 N/A LYS 174.A NZ TYR 210.A O no hydrogen 3.238 N/A LYS 174.A NZ MET 213.A O no hydrogen 2.942 N/A TRP 175.A N PRO 172.A O no hydrogen 3.236 N/A TRP 175.A NE1 GLU 201.A OE1 no hydrogen 3.025 N/A THR 176.A N PRO 172.A O no hydrogen 3.036 N/A THR 176.A OG1 PRO 172.A O no hydrogen 2.738 N/A GLU 179.A N GLU 179.A OE1 no hydrogen 2.751 N/A ILE 181.A N ALA 177.A O no hydrogen 2.944 N/A ASN 182.A N PRO 178.A O no hydrogen 2.725 N/A TYR 183.A N GLU 179.A O no hydrogen 2.882 N/A GLY 184.A N ALA 180.A O no hydrogen 2.942 N/A THR 185.A OG1 GLU 179.A O no hydrogen 3.177 N/A THR 187.A N SER 190.A OG.A no hydrogen 3.038 N/A THR 187.A N SER 190.A OG.B no hydrogen 3.308 N/A LYS 189.A N THR 187.A OG1 no hydrogen 2.991 N/A LYS 189.A NZ ARG 253.A O no hydrogen 2.815 N/A LYS 189.A NZ PRO 254.A O no hydrogen 3.333 N/A SER 190.A N.A THR 187.A O no hydrogen 2.836 N/A SER 190.A N.B THR 187.A O no hydrogen 2.835 N/A SER 190.A OG.A GLU 179.A OE2 no hydrogen 2.994 N/A SER 190.A OG.B THR 187.A O no hydrogen 2.539 N/A ASP 191.A N THR 187.A O no hydrogen 3.455 N/A VAL 192.A N ILE 188.A O no hydrogen 3.019 N/A TRP 193.A N LYS 189.A O no hydrogen 3.211 N/A SER 194.A N.A SER 190.A O.A no hydrogen 3.162 N/A SER 194.A N.A SER 190.A O.B no hydrogen 3.120 N/A SER 194.A N.B SER 190.A O.A no hydrogen 3.158 N/A SER 194.A N.B SER 190.A O.B no hydrogen 3.116 N/A SER 194.A OG.A TRP 175.A O no hydrogen 2.749 N/A SER 194.A OG.A SER 190.A O.A no hydrogen 3.212 N/A SER 194.A OG.A SER 190.A O.B no hydrogen 3.217 N/A SER 194.A OG.B LEU 135.A O no hydrogen 2.332 N/A SER 194.A OG.B TRP 175.A O no hydrogen 3.162 N/A PHE 195.A N ASP 191.A O no hydrogen 2.754 N/A GLY 196.A N VAL 192.A O no hydrogen 3.103 N/A ILE 197.A N TRP 193.A O no hydrogen 3.214 N/A LEU 198.A N SER 194.A O.A no hydrogen 2.781 N/A LEU 198.A N SER 194.A O.B no hydrogen 2.804 N/A LEU 199.A N PHE 195.A O no hydrogen 2.848 N/A THR 200.A N ILE 197.A O no hydrogen 2.886 N/A THR 200.A OG1 ILE 197.A O no hydrogen 2.631 N/A GLU 201.A N ILE 197.A O no hydrogen 3.246 N/A ILE 202.A N LEU 198.A O no hydrogen 3.004 N/A VAL 203.A N LEU 199.A O no hydrogen 3.108 N/A THR 204.A N THR 200.A O no hydrogen 3.102 N/A THR 204.A OG1 THR 200.A O no hydrogen 2.821 N/A HIS 205.A N ILE 202.A O no hydrogen 3.138 N/A HIS 205.A ND1 LEU 98.A O.A no hydrogen 3.155 N/A HIS 205.A ND1 LEU 98.A O.B no hydrogen 3.141 N/A GLY 206.A N GLU 201.A O no hydrogen 2.760 N/A ARG 207.A N.A THR 204.A OG1 no hydrogen 3.114 N/A ARG 207.A N.B THR 204.A OG1 no hydrogen 3.143 N/A MET 213.A N TYR 210.A O no hydrogen 3.099 N/A THR 214.A N GLU 217.A OE1 no hydrogen 2.764 N/A THR 214.A OG1 GLU 217.A OE1 no hydrogen 3.275 N/A GLU 217.A N THR 214.A OG1 no hydrogen 3.295 N/A VAL 218.A N THR 214.A O no hydrogen 2.957 N/A ILE 219.A N.A ASN 215.A O no hydrogen 2.894 N/A ILE 219.A N.B ASN 215.A O no hydrogen 2.879 N/A GLN 220.A N PRO 216.A O no hydrogen 2.857 N/A ASN 221.A N GLU 217.A O no hydrogen 2.924 N/A LEU 222.A N VAL 218.A O no hydrogen 2.922 N/A GLU 223.A N ILE 219.A O.A no hydrogen 3.133 N/A GLU 223.A N ILE 219.A O.B no hydrogen 3.134 N/A ARG 224.A N GLN 220.A O no hydrogen 3.302 N/A ARG 224.A N ASN 221.A O no hydrogen 3.030 N/A GLY 225.A N LEU 222.A O no hydrogen 2.959 N/A TYR 226.A N ASN 221.A O no hydrogen 3.009 N/A ARG 227.A NE TRP 246.A O no hydrogen 2.815 N/A ARG 227.A NH1 LEU 222.A O no hydrogen 3.338 N/A ARG 227.A NH1 TYR 226.A O no hydrogen 2.945 N/A ARG 227.A NH2 TRP 246.A O no hydrogen 2.997 N/A ARG 227.A NH2 GLU 248.A OE1 no hydrogen 3.178 N/A ARG 230.A NE GLU 236.A OE1 no hydrogen 2.843 N/A ARG 230.A NE GLU 236.A OE2 no hydrogen 3.435 N/A ARG 230.A NH2 GLU 236.A OE2 no hydrogen 2.922 N/A CYS 234.A N PRO 231.A O no hydrogen 3.228 N/A CYS 234.A SG PRO 235.A O no hydrogen 3.561 N/A TYR 239.A N PRO 235.A O no hydrogen 2.938 N/A TYR 239.A OH MET 228.A O no hydrogen 2.644 N/A GLN 240.A N GLU 236.A O no hydrogen 2.832 N/A GLN 240.A NE2 GLU 236.A OE2 no hydrogen 2.889 N/A LEU 241.A N GLU 237.A O.A no hydrogen 3.143 N/A LEU 241.A N GLU 237.A O.B no hydrogen 3.156 N/A MET 242.A N LEU 238.A O no hydrogen 2.978 N/A ARG 243.A N TYR 239.A O no hydrogen 3.012 N/A ARG 243.A NH1 TYR 239.A OH no hydrogen 2.873 N/A LEU 244.A N GLN 240.A O no hydrogen 3.174 N/A CYS 245.A N LEU 241.A O no hydrogen 3.270 N/A CYS 245.A SG LEU 241.A O no hydrogen 3.506 N/A TRP 246.A N MET 242.A O no hydrogen 3.085 N/A TRP 246.A N ARG 243.A O no hydrogen 2.999 N/A LYS 247.A N LEU 244.A O no hydrogen 3.274 N/A ARG 249.A NE ASP 252.A OD2 no hydrogen 2.790 N/A ARG 249.A NH2 ASP 252.A OD1 no hydrogen 2.750 N/A ARG 249.A NH2 ASP 252.A OD2 no hydrogen 3.283 N/A GLU 251.A N GLU 251.A OE1 no hydrogen 2.930 N/A ASP 252.A N ARG 249.A O no hydrogen 2.902 N/A ARG 253.A N PRO 250.A O no hydrogen 2.968 N/A ARG 253.A NE LYS 247.A O no hydrogen 2.833 N/A ARG 253.A NH1 GLU 179.A OE1 no hydrogen 3.490 N/A ARG 253.A NH1 GLU 179.A OE2 no hydrogen 2.906 N/A ARG 253.A NH1 LYS 189.A O no hydrogen 2.990 N/A ARG 253.A NH2 GLU 179.A OE1 no hydrogen 2.988 N/A ARG 253.A NH2 LYS 247.A O no hydrogen 3.236 N/A ARG 253.A NH2 GLU 248.A O no hydrogen 3.342 N/A PHE 256.A N GLU 126.A OE2 no hydrogen 2.904 N/A TYR 258.A N THR 255.A OG1 no hydrogen 3.046 N/A LEU 259.A N THR 255.A O no hydrogen 3.039 N/A ARG 260.A N PHE 256.A O no hydrogen 2.831 N/A ARG 260.A NE ASP 257.A OD1 no hydrogen 3.395 N/A ARG 260.A NH2 ASP 257.A OD1 no hydrogen 3.055 N/A SER 261.A N.A ASP 257.A O no hydrogen 3.020 N/A SER 261.A N.B ASP 257.A O no hydrogen 3.024 N/A SER 261.A OG.B TYR 258.A O no hydrogen 2.885 N/A VAL 262.A N TYR 258.A O no hydrogen 2.966 N/A LEU 263.A N LEU 259.A O no hydrogen 2.948 N/A GLU 264.A N ARG 260.A O no hydrogen 2.923 N/A ASP 265.A N SER 261.A O.A no hydrogen 3.092 N/A ASP 265.A N SER 261.A O.B no hydrogen 3.041 N/A PHE 266.A N VAL 262.A O no hydrogen 2.882 N/A PHE 267.A N LEU 263.A O no hydrogen 2.945 N/A THR 268.A N GLU 264.A O no hydrogen 2.797 N/A THR 268.A OG1 GLU 264.A O no hydrogen 3.220 N/A THR 268.A OG1 ASP 265.A O no hydrogen 3.116 N/A ALA 269.A N ASP 265.A O no hydrogen 2.963 N/A THR 270.A N PHE 266.A O no hydrogen 2.909 N/A THR 270.A OG1 PHE 266.A O no hydrogen 3.325 N/A THR 270.A OG1 PHE 267.A O no hydrogen 3.358 N/A