Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5i57_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A ND1 THR 70.A OG1 no hydrogen 2.838 N/A HIS 2.A NE2 ASP 72.A OD1 no hydrogen 2.754 N/A LEU 3.A N THR 70.A O no hydrogen 2.843 N/A SER 4.A OG ARG 100.A O no hydrogen 2.885 N/A ILE 5.A N ASP 72.A O no hydrogen 3.103 N/A VAL 6.A N MET 103.A O no hydrogen 3.032 N/A THR 7.A N TYR 74.A O no hydrogen 2.869 N/A THR 7.A OG1 VAL 105.A O no hydrogen 2.607 N/A LEU 8.A N THR 7.A OG1 no hydrogen 2.805 N/A GLU 10.A N VAL 14.A O no hydrogen 2.836 N/A PHE 13.A N GLU 10.A O no hydrogen 2.865 N/A VAL 14.A N GLU 10.A O no hydrogen 3.068 N/A ILE 15.A N LYS 53.A O no hydrogen 2.752 N/A VAL 16.A N GLU 9.A OE2 no hydrogen 2.904 N/A GLU 17.A N CYS 51.A O no hydrogen 2.795 N/A THR 22.A OG1 ASP 20.A OD1 no hydrogen 2.536 N/A GLU 23.A N ASP 20.A O no hydrogen 2.752 N/A THR 24.A OG1 THR 22.A O no hydrogen 3.060 N/A CYS 25.A SG LYS 50.A O no hydrogen 3.392 N/A THR 29.A N VAL 26.A O no hydrogen 3.175 N/A THR 29.A OG1 VAL 26.A O no hydrogen 2.773 N/A VAL 30.A N CYS 52.A O no hydrogen 2.918 N/A CYS 32.A N LYS 50.A O no hydrogen 3.008 N/A ARG 33.A N LEU 73.A O no hydrogen 3.069 N/A LYS 34.A N VAL 48.A O no hydrogen 2.944 N/A VAL 36.A N MET 46.A O no hydrogen 2.836 N/A LYS 37.A NZ ASN 40.A OD1 no hydrogen 2.960 N/A ILE 38.A N GLU 44.A O no hydrogen 3.170 N/A SER 41.A N ASN 39.A OD1 no hydrogen 2.901 N/A SER 41.A OG.A ASN 39.A OD1 no hydrogen 3.050 N/A THR 42.A OG1 ASN 39.A OD1 no hydrogen 3.318 N/A MET 46.A N VAL 36.A O no hydrogen 2.926 N/A VAL 48.A N LYS 34.A O no hydrogen 2.714 N/A LYS 50.A N CYS 32.A O no hydrogen 2.719 N/A LYS 50.A NZ ASP 18.A OD1 no hydrogen 2.665 N/A CYS 51.A N GLU 17.A O no hydrogen 2.954 N/A CYS 52.A N VAL 30.A O no hydrogen 2.853 N/A LYS 53.A N ILE 15.A O no hydrogen 3.003 N/A LYS 53.A NZ GLU 17.A OE2 no hydrogen 2.996 N/A PHE 55.A N PRO 12.A O no hydrogen 3.065 N/A CYS 56.A N PHE 13.A O no hydrogen 2.933 N/A ASP 58.A N GLY 54.A O no hydrogen 2.830 N/A ILE 59.A N PHE 55.A O no hydrogen 3.073 N/A LEU 60.A N CYS 56.A O no hydrogen 2.962 N/A LYS 61.A N ILE 57.A O no hydrogen 2.909 N/A LYS 61.A NZ ASN 28.A O no hydrogen 3.312 N/A LYS 61.A NZ ASP 58.A OD1 no hydrogen 3.103 N/A LYS 62.A N ASP 58.A O no hydrogen 3.132 N/A LYS 62.A NZ GLU 264.A OE2 no hydrogen 3.361 N/A LEU 63.A N ILE 59.A O no hydrogen 2.881 N/A SER 64.A N LEU 60.A O no hydrogen 2.907 N/A SER 64.A OG PHE 69.A O no hydrogen 2.509 N/A ARG 65.A N LYS 61.A O no hydrogen 3.065 N/A THR 66.A N LYS 62.A O no hydrogen 2.875 N/A THR 66.A OG1 LYS 62.A O no hydrogen 3.004 N/A VAL 67.A N LEU 63.A O no hydrogen 2.767 N/A LYS 68.A N SER 64.A O no hydrogen 3.183 N/A PHE 69.A N SER 64.A O no hydrogen 3.196 N/A THR 70.A N ASN 1.A O no hydrogen 3.124 N/A THR 70.A OG1 ASN 1.A O no hydrogen 3.537 N/A THR 70.A OG1 HIS 2.A ND1 no hydrogen 2.838 N/A ASP 72.A N LEU 3.A O no hydrogen 2.893 N/A TYR 74.A N ILE 5.A O no hydrogen 2.857 N/A TYR 74.A OH GLU 95.A OE1 no hydrogen 2.665 N/A LEU 75.A N ARG 33.A O no hydrogen 2.871 N/A VAL 76.A N THR 7.A O no hydrogen 2.917 N/A HIS 81.A NE2 GLU 10.A OE1 no hydrogen 3.155 N/A LYS 83.A N ASN 90.A OD1 no hydrogen 3.069 N/A LYS 83.A NZ ASN 164.A OD1 no hydrogen 2.789 N/A VAL 85.A N VAL 88.A O no hydrogen 3.005 N/A VAL 88.A N VAL 85.A O no hydrogen 3.003 N/A ASN 90.A N LYS 83.A O no hydrogen 3.002 N/A GLY 91.A N ASN 78.A O no hydrogen 2.678 N/A MET 92.A N LYS 80.A O no hydrogen 2.833 N/A ILE 93.A N HIS 81.A O no hydrogen 3.199 N/A GLY 94.A N ASN 90.A O no hydrogen 3.042 N/A GLU 95.A N GLY 91.A O no hydrogen 3.072 N/A VAL 96.A N MET 92.A O no hydrogen 3.259 N/A VAL 97.A N ILE 93.A O no hydrogen 2.859 N/A TYR 98.A N GLY 94.A O no hydrogen 2.845 N/A GLN 99.A N VAL 96.A O no hydrogen 2.999 N/A ARG 100.A N GLU 95.A O no hydrogen 2.842 N/A ALA 101.A N GLU 95.A O no hydrogen 3.069 N/A VAL 102.A N SER 4.A O no hydrogen 2.732 N/A ALA 104.A N ALA 241.A O no hydrogen 2.850 N/A VAL 105.A N VAL 6.A O no hydrogen 2.996 N/A SER 107.A OG GLU 10.A OE1 no hydrogen 2.579 N/A ILE 110.A N GLY 237.A O no hydrogen 2.942 N/A ARG 114.A N ASN 111.A OD1 no hydrogen 2.978 N/A ARG 114.A NH1 THR 109.A O no hydrogen 2.906 N/A ARG 114.A NH2 GLY 82.A O no hydrogen 2.956 N/A SER 115.A N ASN 111.A O no hydrogen 3.022 N/A SER 115.A OG ASN 111.A O no hydrogen 2.852 N/A GLU 116.A N GLU 113.A O no hydrogen 3.372 N/A VAL 117.A N ARG 114.A O no hydrogen 2.996 N/A VAL 118.A N ARG 114.A O no hydrogen 3.011 N/A ASP 119.A N LEU 242.A O no hydrogen 2.861 N/A SER 121.A N ILE 240.A O no hydrogen 2.837 N/A SER 121.A OG VAL 122.A O no hydrogen 2.882 N/A VAL 122.A N ASP 253.A OD1 no hydrogen 2.845 N/A PHE 124.A N TYR 238.A O no hydrogen 3.023 N/A THR 127.A N THR 236.A O no hydrogen 2.936 N/A THR 127.A OG1 ASP 208.A OD1 no hydrogen 2.621 N/A ILE 129.A N PHE 233.A O no hydrogen 2.831 N/A SER 130.A N TYR 207.A O no hydrogen 2.939 N/A SER 130.A OG TYR 231.A O no hydrogen 2.801 N/A MET 132.A N PHE 205.A O no hydrogen 2.873 N/A VAL 133.A N VAL 225.A O no hydrogen 2.905 N/A ARG 135.A N LYS 223.A O no hydrogen 2.711 N/A ARG 135.A NE CYS 222.A O no hydrogen 3.223 N/A ARG 135.A NH2 CYS 222.A O no hydrogen 2.957 N/A THR 137.A N SER 134.A O no hydrogen 3.043 N/A THR 137.A OG1 SER 134.A O no hydrogen 2.770 N/A THR 140.A N ASP 144.A OD2 no hydrogen 2.764 N/A ASP 144.A N GLY 141.A O no hydrogen 3.094 N/A LYS 146.A N ASP 144.A OD1 no hydrogen 2.798 N/A LYS 146.A NZ GLN 138.A O no hydrogen 3.034 N/A LYS 146.A NZ ASP 144.A OD1 no hydrogen 2.996 N/A LYS 146.A NZ ASP 144.A OD2 no hydrogen 3.251 N/A PHE 147.A N ASP 144.A O no hydrogen 2.896 N/A GLN 148.A N ASP 144.A O no hydrogen 2.962 N/A ARG 149.A N LYS 145.A O no hydrogen 2.846 N/A ARG 149.A NE ASP 152.A OD2 no hydrogen 2.697 N/A ARG 149.A NH2 ASP 152.A OD1 no hydrogen 3.172 N/A ARG 149.A NH2 ASP 152.A OD2 no hydrogen 3.329 N/A ASP 152.A N ARG 149.A O no hydrogen 3.026 N/A ARG 158.A N ASP 203.A OD2 no hydrogen 2.913 N/A ARG 158.A NE ASP 203.A OD2 no hydrogen 3.333 N/A ARG 158.A NH1 GLY 200.A O no hydrogen 3.120 N/A ARG 158.A NH2 GLY 200.A O no hydrogen 2.962 N/A ARG 158.A NH2 ASP 203.A OD1 no hydrogen 2.881 N/A GLY 160.A N ALA 204.A O no hydrogen 3.283 N/A THR 161.A OG1 ILE 206.A O no hydrogen 2.647 N/A ASN 164.A N GLU 168.A OE1 no hydrogen 2.705 N/A ARG 169.A N GLY 165.A O no hydrogen 3.085 N/A ASN 170.A N SER 166.A O no hydrogen 2.997 N/A ILE 171.A N THR 167.A O no hydrogen 3.065 N/A ARG 172.A N GLU 168.A O no hydrogen 2.856 N/A ASN 173.A N ARG 169.A O no hydrogen 3.129 N/A ASN 174.A N ASN 170.A O no hydrogen 2.985 N/A TYR 175.A N ILE 171.A O no hydrogen 2.820 N/A HIS 179.A N TYR 175.A O no hydrogen 2.888 N/A GLN 180.A N PRO 176.A O no hydrogen 3.097 N/A GLN 180.A NE2 TYR 177.A O no hydrogen 3.136 N/A TYR 181.A N TYR 177.A O no hydrogen 2.954 N/A TYR 181.A OH PHE 157.A O no hydrogen 2.643 N/A MET 182.A N MET 178.A O no hydrogen 2.890 N/A THR 183.A OG1 GLN 180.A O no hydrogen 3.351 N/A PHE 185.A N MET 182.A O no hydrogen 2.776 N/A ASN 186.A N THR 183.A O no hydrogen 3.134 N/A GLN 187.A N THR 161.A O no hydrogen 2.909 N/A GLN 187.A NE2 PHE 185.A O no hydrogen 2.849 N/A ALA 193.A N GLY 189.A O no hydrogen 3.142 N/A LEU 194.A N VAL 190.A O no hydrogen 2.986 N/A VAL 195.A N GLU 191.A O no hydrogen 3.139 N/A SER 196.A N ASP 192.A O no hydrogen 2.932 N/A SER 196.A OG GLN 187.A OE1 no hydrogen 3.384 N/A SER 196.A OG ASP 192.A O no hydrogen 3.474 N/A LEU 197.A N ALA 193.A O no hydrogen 2.891 N/A LYS 198.A N LEU 194.A O no hydrogen 2.925 N/A LYS 198.A NZ ASP 219.A OD1 no hydrogen 2.483 N/A THR 199.A N VAL 195.A O no hydrogen 3.096 N/A THR 199.A OG1 VAL 195.A O no hydrogen 3.191 N/A GLY 200.A N LEU 197.A O no hydrogen 3.237 N/A LYS 201.A N SER 196.A O no hydrogen 2.928 N/A LEU 202.A N SER 196.A O no hydrogen 3.109 N/A ASP 203.A N ARG 158.A O no hydrogen 2.741 N/A ALA 204.A N ARG 158.A O no hydrogen 3.234 N/A PHE 205.A N MET 132.A O no hydrogen 2.974 N/A ILE 206.A N GLY 160.A O no hydrogen 2.933 N/A TYR 207.A N SER 130.A O no hydrogen 3.148 N/A TYR 207.A OH GLU 10.A OE2 no hydrogen 2.590 N/A ALA 209.A N GLY 128.A O no hydrogen 2.880 N/A ALA 210.A N THR 127.A OG1 no hydrogen 3.113 N/A VAL 211.A N ASP 208.A OD2 no hydrogen 2.933 N/A LEU 212.A N ASP 208.A O no hydrogen 3.034 N/A ASN 213.A N ALA 209.A O no hydrogen 2.837 N/A TYR 214.A N ALA 210.A O no hydrogen 3.126 N/A LYS 215.A N VAL 211.A O no hydrogen 2.905 N/A LYS 215.A NZ GLU 191.A OE2 no hydrogen 2.668 N/A ALA 216.A N LEU 212.A O no hydrogen 2.847 N/A GLY 217.A N ASN 213.A O no hydrogen 3.052 N/A ARG 218.A N LYS 215.A O no hydrogen 3.180 N/A ASP 219.A N ALA 216.A O no hydrogen 3.407 N/A CYS 222.A N ASP 219.A O no hydrogen 2.823 N/A LYS 223.A N ASP 219.A OD2 no hydrogen 2.951 N/A LEU 224.A N ASP 219.A OD2 no hydrogen 2.815 N/A VAL 225.A N VAL 133.A O no hydrogen 2.947 N/A THR 226.A OG1 ASN 213.A OD1 no hydrogen 3.352 N/A ILE 227.A N VAL 131.A O no hydrogen 2.850 N/A SER 229.A OG GLY 228.A O no hydrogen 2.890 N/A SER 229.A OG SER 229.A O no hydrogen 2.429 N/A TYR 231.A N ILE 227.A O no hydrogen 3.026 N/A PHE 233.A N ILE 129.A O no hydrogen 2.815 N/A THR 236.A N THR 127.A O no hydrogen 2.983 N/A THR 236.A OG1 ILE 110.A O no hydrogen 2.729 N/A TYR 238.A N VAL 125.A O no hydrogen 2.899 N/A TYR 238.A OH ASP 208.A OD2 no hydrogen 2.534 N/A GLY 239.A N LEU 108.A O no hydrogen 3.002 N/A ILE 240.A N SER 121.A OG no hydrogen 2.873 N/A ALA 241.A N ALA 104.A O no hydrogen 3.099 N/A LEU 242.A N ASP 119.A O no hydrogen 2.686 N/A GLN 243.A NE2 ALA 101.A O no hydrogen 3.018 N/A LYS 244.A NZ GLU 116.A O no hydrogen 2.946 N/A GLY 245.A N ASP 119.A OD2 no hydrogen 2.857 N/A SER 246.A N GLN 243.A O no hydrogen 2.892 N/A TRP 248.A N SER 246.A OG no hydrogen 2.963 N/A LYS 249.A NZ ASP 253.A OD2 no hydrogen 3.043 N/A ILE 252.A N TRP 248.A O no hydrogen 2.983 N/A ASP 253.A N LYS 249.A O no hydrogen 2.781 N/A LEU 254.A N ARG 250.A O no hydrogen 2.953 N/A ALA 255.A N GLN 251.A O no hydrogen 2.897 N/A LEU 256.A N ILE 252.A O no hydrogen 2.893 N/A LEU 257.A N ASP 253.A O no hydrogen 3.024 N/A GLN 258.A N LEU 254.A O no hydrogen 2.957 N/A PHE 259.A N ALA 255.A O no hydrogen 2.946 N/A VAL 260.A N LEU 256.A O no hydrogen 3.067 N/A GLY 261.A N LEU 257.A O no hydrogen 3.000 N/A ASP 262.A N GLN 258.A O no hydrogen 2.966 N/A GLU 264.A N ASP 262.A OD2 no hydrogen 2.888 N/A MET 265.A N PHE 259.A O no hydrogen 3.055 N/A GLU 267.A N GLY 263.A O no hydrogen 3.311 N/A LEU 268.A N GLU 264.A O no hydrogen 3.345 N/A GLU 269.A N MET 265.A O no hydrogen 3.052 N/A THR 270.A N GLU 266.A O no hydrogen 2.933 N/A THR 270.A OG1 GLU 266.A O no hydrogen 3.052 N/A LEU 271.A N GLU 267.A O no hydrogen 2.830 N/A TRP 272.A N LEU 268.A O no hydrogen 2.907 N/A TRP 272.A NE1 ASP 58.A OD2 no hydrogen 2.551 N/A LEU 273.A N GLU 269.A O no hydrogen 2.838 N/A THR 274.A OG1 THR 270.A O no hydrogen 3.339 N/A CYS 277.A N GLY 217.A O no hydrogen 2.898 N/A CYS 277.A SG ALA 216.A O no hydrogen 3.547 N/A CYS 277.A SG GLY 217.A O no hydrogen 3.604 N/A CYS 277.A SG ASP 219.A O no hydrogen 3.573 N/A