Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k53_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.A N ASP 83.A OD2 no hydrogen 2.825 N/A THR 5.A OG1 ASN 81.A O no hydrogen 2.683 N/A THR 5.A OG1 ASP 83.A OD2 no hydrogen 3.412 N/A VAL 6.A N LEU 53.A O no hydrogen 2.771 N/A ALA 7.A N VAL 84.A O no hydrogen 2.930 N/A LEU 8.A N VAL 55.A O no hydrogen 2.822 N/A VAL 9.A N VAL 86.A O no hydrogen 3.078 N/A LYS 16.A NZ ASP 56.A OD1 no hydrogen 2.655 N/A LYS 16.A NZ LEU 57.A O no hydrogen 2.695 N/A ILE 19.A N GLY 15.A O no hydrogen 2.715 N/A PHE 20.A N LYS 16.A O no hydrogen 2.884 N/A ASN 21.A N THR 17.A O no hydrogen 2.926 N/A ALA 22.A N THR 18.A O no hydrogen 2.989 N/A LEU 23.A N ILE 19.A O no hydrogen 2.842 N/A THR 24.A N PHE 20.A O no hydrogen 3.035 N/A THR 24.A OG1 PHE 20.A O no hydrogen 2.583 N/A THR 24.A OG1 GLY 25.A O no hydrogen 3.560 N/A THR 24.A OG1 GLN 28.A OE1 no hydrogen 2.915 N/A GLY 25.A N ASN 21.A O no hydrogen 2.859 N/A ARG 27.A N THR 24.A O no hydrogen 2.936 N/A GLN 28.A N LEU 26.A O no hydrogen 2.765 N/A HIS 29.A N GLU 42.A O no hydrogen 2.662 N/A GLY 31.A N LYS 40.A O no hydrogen 2.991 N/A ASN 32.A ND2 TRP 33.A O no hydrogen 3.171 N/A ASN 32.A ND2 VAL 36.A O no hydrogen 3.028 N/A TRP 33.A N VAL 38.A O no hydrogen 2.974 N/A VAL 36.A N TRP 33.A O no hydrogen 3.205 N/A LYS 40.A N GLY 31.A O no hydrogen 2.703 N/A GLU 42.A N HIS 29.A O no hydrogen 3.173 N/A GLY 43.A N VAL 54.A O no hydrogen 2.929 N/A ILE 44.A N ARG 27.A O no hydrogen 2.857 N/A MET 45.A N PHE 52.A O no hydrogen 2.790 N/A TYR 47.A N LYS 50.A O no hydrogen 3.035 N/A LYS 50.A N TYR 47.A O no hydrogen 2.935 N/A PHE 52.A N MET 45.A O no hydrogen 2.712 N/A LEU 53.A N LYS 4.A O no hydrogen 2.876 N/A VAL 54.A N GLY 43.A O no hydrogen 2.916 N/A VAL 55.A N VAL 6.A O no hydrogen 2.670 N/A ASP 56.A N LYS 41.A O no hydrogen 3.059 N/A LEU 57.A N LEU 8.A O no hydrogen 3.002 N/A ILE 60.A N GLY 10.A O no hydrogen 2.812 N/A SER 62.A OG GLU 70.A OE1 no hydrogen 2.752 N/A LEU 63.A N GLU 103.A OE1 no hydrogen 3.164 N/A THR 64.A N GLU 70.A OE1 no hydrogen 2.859 N/A THR 64.A OG1 GLU 70.A OE1 no hydrogen 2.984 N/A THR 64.A OG1 GLU 70.A OE2 no hydrogen 2.971 N/A HIS 66.A N THR 64.A OG1 no hydrogen 2.953 N/A SER 67.A OG GLU 70.A OE2 no hydrogen 2.722 N/A LEU 71.A N SER 67.A O no hydrogen 3.062 N/A ILE 72.A N ILE 68.A O no hydrogen 2.924 N/A ILE 72.A N ASP 69.A O no hydrogen 3.187 N/A ALA 73.A N ASP 69.A O no hydrogen 3.264 N/A ARG 74.A N GLU 70.A O no hydrogen 2.847 N/A ARG 74.A NE LEU 63.A O no hydrogen 3.602 N/A ARG 74.A NH2 ASP 214.A OD1 no hydrogen 3.395 N/A ASN 75.A N LEU 71.A O no hydrogen 2.900 N/A PHE 76.A N ILE 72.A O no hydrogen 2.954 N/A ILE 77.A N ALA 73.A O no hydrogen 3.056 N/A LEU 78.A N ARG 74.A O no hydrogen 3.020 N/A ASP 79.A N ASN 75.A O no hydrogen 2.926 N/A GLY 80.A N ILE 77.A O no hydrogen 2.998 N/A ASN 81.A N PHE 76.A O no hydrogen 3.134 N/A ASP 83.A N THR 5.A OG1 no hydrogen 2.979 N/A VAL 84.A N THR 5.A O no hydrogen 3.020 N/A ILE 85.A N ASN 111.A O no hydrogen 2.988 N/A VAL 86.A N ALA 7.A O no hydrogen 2.844 N/A ASP 87.A N ILE 113.A O no hydrogen 2.799 N/A ILE 88.A N VAL 9.A O no hydrogen 3.062 N/A VAL 89.A N VAL 115.A O no hydrogen 2.930 N/A SER 91.A N ASN 117.A O no hydrogen 2.873 N/A SER 91.A OG ASN 117.A O no hydrogen 3.042 N/A THR 92.A N ASP 90.A OD1 no hydrogen 2.635 N/A THR 92.A OG1 ASP 90.A OD1 no hydrogen 2.384 N/A CYS 93.A N ASP 90.A O no hydrogen 3.163 N/A ASN 97.A N CYS 93.A O no hydrogen 3.319 N/A LEU 98.A N LEU 94.A O no hydrogen 2.674 N/A PHE 99.A N ARG 96.A O no hydrogen 3.317 N/A THR 101.A OG1 ASP 87.A OD2 no hydrogen 2.541 N/A LEU 102.A N LEU 98.A O no hydrogen 2.876 N/A GLU 103.A N PHE 99.A O no hydrogen 3.166 N/A LEU 104.A N LEU 100.A O no hydrogen 3.179 N/A PHE 105.A N THR 101.A O no hydrogen 3.108 N/A GLU 106.A N LEU 102.A O no hydrogen 2.973 N/A MET 107.A N GLU 103.A O no hydrogen 3.068 N/A MET 107.A N LEU 104.A O no hydrogen 3.061 N/A GLU 108.A N PHE 105.A O no hydrogen 2.858 N/A LYS 110.A N ASN 111.A OD1 no hydrogen 3.401 N/A ASN 111.A ND2 ALA 82.A O no hydrogen 3.014 N/A ASN 111.A ND2 ASP 83.A O no hydrogen 2.626 N/A ILE 113.A N ILE 85.A O no hydrogen 2.888 N/A LEU 114.A N PRO 141.A O no hydrogen 3.058 N/A VAL 115.A N ASP 87.A O no hydrogen 2.856 N/A LEU 116.A N ILE 143.A O no hydrogen 2.898 N/A ASN 117.A N VAL 89.A O no hydrogen 2.825 N/A ASN 117.A ND2 THR 145.A OG1 no hydrogen 2.599 N/A LYS 118.A NZ ASP 90.A OD2 no hydrogen 3.446 N/A PHE 119.A N THR 145.A O no hydrogen 3.162 N/A LEU 122.A N PHE 119.A O no hydrogen 3.189 N/A LYS 123.A N PHE 119.A O no hydrogen 3.374 N/A LYS 123.A NZ ILE 129.A O no hydrogen 3.309 N/A LYS 124.A N ASP 120.A O no hydrogen 3.209 N/A LYS 125.A N LEU 121.A O no hydrogen 3.417 N/A ALA 127.A N LEU 122.A O no hydrogen 3.173 N/A LYS 128.A NZ VAL 268.A O no hydrogen 2.809 N/A ASP 130.A N PHE 267.A O no hydrogen 2.958 N/A ILE 131.A N ILE 129.A O no hydrogen 3.071 N/A LYS 133.A N ASP 130.A OD1 no hydrogen 2.989 N/A LYS 133.A NZ LYS 266.A O no hydrogen 2.990 N/A MET 134.A N ASP 130.A O no hydrogen 2.973 N/A ARG 135.A N ILE 131.A O no hydrogen 3.010 N/A LYS 136.A N LYS 132.A O no hydrogen 3.225 N/A GLU 137.A N LYS 133.A O no hydrogen 2.785 N/A LEU 138.A N MET 134.A O no hydrogen 2.797 N/A GLY 139.A N ARG 135.A O no hydrogen 3.073 N/A ILE 143.A N LEU 114.A O no hydrogen 2.936 N/A THR 145.A N LEU 116.A O no hydrogen 2.836 N/A ASN 146.A N GLU 151.A O no hydrogen 2.935 N/A LYS 149.A N ASN 146.A O no hydrogen 2.738 N/A LYS 149.A N ASN 146.A OD1 no hydrogen 3.160 N/A GLY 150.A N ASN 146.A O no hydrogen 2.983 N/A GLY 150.A N ALA 147.A O no hydrogen 2.838 N/A LEU 156.A N GLY 152.A O no hydrogen 2.777 N/A LYS 157.A N VAL 153.A O no hydrogen 2.980 N/A LYS 157.A NZ GLU 46.A O no hydrogen 2.667 N/A ARG 158.A N GLU 154.A O no hydrogen 3.217 N/A ARG 158.A NE GLU 155.A OE1 no hydrogen 3.380 N/A ARG 158.A NE GLU 155.A OE2 no hydrogen 3.251 N/A MET 159.A N GLU 155.A O no hydrogen 3.214 N/A ILE 160.A N LEU 156.A O no hydrogen 2.856 N/A ALA 161.A N LYS 157.A O no hydrogen 2.795 N/A LEU 162.A N ARG 158.A O no hydrogen 2.855 N/A MET 163.A N MET 159.A O no hydrogen 2.774 N/A ALA 164.A N ILE 160.A O no hydrogen 2.904 N/A GLU 165.A N ALA 161.A O no hydrogen 2.884 N/A GLY 166.A N MET 163.A O no hydrogen 2.835 N/A LYS 167.A N LEU 162.A O no hydrogen 3.078 N/A THR 170.A OG1 LYS 110.A O no hydrogen 2.837 N/A ASN 171.A N GLY 139.A O no hydrogen 2.893 N/A ILE 173.A N LEU 138.A O no hydrogen 2.854 N/A TYR 177.A N GLU 182.A OE2 no hydrogen 3.211 N/A TYR 177.A OH GLU 106.A OE1 no hydrogen 3.102 N/A TYR 177.A OH GLU 106.A OE2 no hydrogen 3.134 N/A ASP 178.A N GLN 255.A OE1 no hydrogen 2.937 N/A ILE 181.A N ASP 178.A OD1 no hydrogen 2.786 N/A GLU 182.A N ASP 178.A O no hydrogen 2.960 N/A ARG 183.A N GLU 179.A O no hydrogen 3.043 N/A GLU 184.A N ASP 180.A O no hydrogen 3.518 N/A ILE 185.A N ILE 181.A O no hydrogen 3.316 N/A LYS 186.A N GLU 182.A O no hydrogen 2.900 N/A LYS 186.A NZ GLU 190.A OE1 no hydrogen 2.693 N/A HIS 187.A N ARG 183.A O no hydrogen 2.888 N/A ILE 188.A N GLU 184.A O no hydrogen 3.131 N/A SER 189.A N ILE 185.A O no hydrogen 2.952 N/A SER 189.A OG ILE 185.A O no hydrogen 2.372 N/A GLU 190.A N LYS 186.A O no hydrogen 2.923 N/A LEU 191.A N HIS 187.A O no hydrogen 2.956 N/A LEU 192.A N SER 189.A O no hydrogen 2.833 N/A ARG 193.A N SER 189.A O no hydrogen 2.651 N/A ARG 193.A N GLU 190.A O no hydrogen 2.969 N/A THR 195.A OG1 LEU 192.A O no hydrogen 2.559 N/A ALA 198.A N THR 195.A OG1 no hydrogen 3.121 N/A LYS 200.A N LEU 197.A O no hydrogen 2.689 N/A TYR 201.A N LEU 197.A O no hydrogen 3.049 N/A ARG 204.A NH1 GLU 182.A OE1 no hydrogen 2.652 N/A ARG 204.A NH1 GLU 182.A OE2 no hydrogen 3.411 N/A ARG 204.A NH2 PRO 175.A O no hydrogen 3.343 N/A ARG 204.A NH2 GLU 182.A OE2 no hydrogen 2.854 N/A LEU 206.A N PRO 202.A O no hydrogen 2.852 N/A ALA 207.A N ILE 203.A O no hydrogen 2.982 N/A LEU 208.A N ARG 204.A O no hydrogen 3.037 N/A LYS 209.A N TRP 205.A O no hydrogen 2.828 N/A LYS 209.A NZ GLN 212.A OE1 no hydrogen 3.452 N/A LEU 210.A N LEU 206.A O no hydrogen 3.167 N/A LEU 211.A N ALA 207.A O no hydrogen 3.308 N/A LEU 211.A N LEU 208.A O no hydrogen 3.180 N/A GLN 212.A N LYS 209.A O no hydrogen 2.844 N/A ARG 213.A N LEU 210.A O no hydrogen 2.955 N/A ARG 213.A NE GLU 241.A OE1 no hydrogen 3.346 N/A ARG 213.A NH2 GLU 241.A OE1 no hydrogen 3.525 N/A ASP 214.A N LYS 209.A O no hydrogen 3.247 N/A VAL 217.A N ASP 214.A O no hydrogen 2.815 N/A VAL 217.A N ASP 214.A OD1 no hydrogen 2.926 N/A ILE 218.A N ASP 214.A O no hydrogen 3.089 N/A LYS 219.A N GLU 215.A O no hydrogen 3.373 N/A LEU 220.A N VAL 217.A O no hydrogen 2.731 N/A VAL 221.A N VAL 217.A O no hydrogen 2.936 N/A VAL 221.A N ILE 218.A O no hydrogen 3.161 N/A LEU 222.A N ILE 218.A O no hydrogen 3.205 N/A TYR 224.A N LEU 220.A O no hydrogen 3.305 N/A LEU 225.A N VAL 221.A O no hydrogen 2.900 N/A GLN 227.A NE2 ASP 231.A OD2 no hydrogen 2.648 N/A LYS 229.A NZ LEU 191.A O no hydrogen 3.370 N/A MET 230.A N GLY 226.A O no hydrogen 3.422 N/A ASP 231.A N GLU 228.A O no hydrogen 2.993 N/A GLU 232.A N GLU 228.A O no hydrogen 3.100 N/A ILE 233.A N LYS 229.A O no hydrogen 3.365 N/A LEU 234.A N MET 230.A O no hydrogen 3.081 N/A LYS 235.A N ASP 231.A O no hydrogen 3.405 N/A LYS 235.A NZ GLU 232.A O no hydrogen 3.492 N/A HIS 236.A N ILE 233.A O no hydrogen 2.827 N/A ILE 237.A N ILE 233.A O no hydrogen 3.271 N/A SER 238.A N LEU 234.A O no hydrogen 2.821 N/A SER 238.A OG LEU 234.A O no hydrogen 2.625 N/A GLU 239.A N LYS 235.A O no hydrogen 2.859 N/A LEU 240.A N HIS 236.A O no hydrogen 2.989 N/A GLU 241.A N ILE 237.A O no hydrogen 2.770 N/A GLU 242.A N SER 238.A O no hydrogen 3.117 N/A LYS 243.A N LEU 240.A O no hydrogen 2.630 N/A LYS 243.A NZ GLU 239.A OE2 no hydrogen 2.599 N/A TYR 244.A N GLU 241.A O no hydrogen 2.924 N/A TYR 244.A OH ASP 178.A OD1 no hydrogen 3.002 N/A ARG 246.A NH2 SER 254.A OG no hydrogen 3.385 N/A VAL 251.A N PRO 247.A O no hydrogen 3.148 N/A ILE 252.A N LEU 248.A O no hydrogen 2.689 N/A ALA 253.A N ASP 249.A O no hydrogen 3.051 N/A SER 254.A N ILE 250.A O no hydrogen 2.880 N/A GLN 255.A N VAL 251.A O no hydrogen 2.896 N/A GLN 255.A NE2 ASP 178.A OD2 no hydrogen 2.770 N/A LYS 256.A N ILE 252.A O no hydrogen 2.887 N/A LYS 256.A NZ TYR 177.A OH no hydrogen 2.640 N/A TYR 257.A N ALA 253.A O no hydrogen 3.039 N/A TYR 257.A N SER 254.A O no hydrogen 3.239 N/A GLU 258.A N SER 254.A O no hydrogen 3.116 N/A PHE 259.A N GLN 255.A O no hydrogen 2.884 N/A LEU 260.A N LYS 256.A O no hydrogen 3.046 N/A GLU 261.A N TYR 257.A O no hydrogen 2.890 N/A LEU 263.A N PHE 259.A O no hydrogen 3.089 N/A LEU 264.A N LEU 260.A O no hydrogen 2.649 N/A ARG 265.A N GLU 261.A O no hydrogen 3.126 N/A LYS 266.A NZ GLN 262.A O no hydrogen 3.558 N/A PHE 267.A N LEU 264.A O no hydrogen 3.250 N/A