Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1u54_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 HIS 55.A ND1 no hydrogen 2.726 N/A CYS 3.A N TYR 66.A O no hydrogen 3.076 N/A CYS 3.A SG LEU 1.A O no hydrogen 3.923 N/A ILE 5.A N VAL 68.A O no hydrogen 3.155 N/A GLY 6.A N ASP 9.A OD2 no hydrogen 3.218 N/A ASP 9.A N GLY 6.A O no hydrogen 2.663 N/A ARG 11.A N GLU 25.A O no hydrogen 3.293 N/A LEU 13.A N ARG 23.A O no hydrogen 2.931 N/A GLU 14.A N GLU 14.A OE1 no hydrogen 3.140 N/A LEU 16.A N VAL 21.A O no hydrogen 2.885 N/A GLY 17.A N VAL 21.A O no hydrogen 3.106 N/A VAL 21.A N GLY 17.A O no hydrogen 3.009 N/A ARG 22.A N VAL 38.A O no hydrogen 2.716 N/A ARG 22.A NE LEU 13.A O no hydrogen 2.857 N/A ARG 22.A NH2 LEU 13.A O no hydrogen 2.835 N/A ARG 23.A N GLU 14.A O no hydrogen 2.955 N/A GLY 24.A N VAL 36.A O no hydrogen 2.744 N/A GLU 25.A N ARG 11.A O no hydrogen 3.228 N/A TRP 26.A N VAL 34.A O no hydrogen 2.825 N/A ASP 27.A N ASP 9.A O no hydrogen 2.865 N/A ALA 28.A N LYS 32.A O no hydrogen 2.897 N/A GLY 31.A N ALA 28.A O no hydrogen 3.325 N/A VAL 34.A N TRP 26.A O no hydrogen 2.857 N/A VAL 36.A N GLY 24.A O no hydrogen 2.842 N/A ALA 37.A N THR 78.A O no hydrogen 2.881 N/A VAL 38.A N ARG 22.A O no hydrogen 2.751 N/A LYS 39.A N MET 76.A O no hydrogen 3.183 N/A LYS 39.A NZ GLU 50.A OE2 no hydrogen 3.021 N/A CYS 40.A N VAL 20.A O no hydrogen 2.900 N/A CYS 40.A SG VAL 20.A O no hydrogen 3.425 N/A LEU 41.A N MET 74.A O no hydrogen 2.634 N/A MET 44.A N GLU 42.A O no hydrogen 2.729 N/A ILE 48.A N MET 44.A O no hydrogen 3.074 N/A ARG 49.A N ASP 45.A O no hydrogen 3.003 N/A GLU 50.A N ASP 46.A O no hydrogen 2.803 N/A VAL 51.A N PHE 47.A O no hydrogen 3.217 N/A ASN 52.A N ILE 48.A O no hydrogen 3.074 N/A ALA 53.A N ARG 49.A O no hydrogen 2.982 N/A MET 54.A N GLU 50.A O no hydrogen 2.848 N/A HIS 55.A N VAL 51.A O no hydrogen 2.551 N/A SER 56.A N ASN 52.A O no hydrogen 3.186 N/A SER 56.A N ALA 53.A O no hydrogen 3.033 N/A SER 56.A OG ASN 52.A O no hydrogen 3.174 N/A SER 56.A OG ALA 53.A O no hydrogen 2.251 N/A LEU 57.A N MET 54.A O no hydrogen 3.004 N/A ARG 60.A NH1 ASN 61.A OD1 no hydrogen 3.031 N/A ASN 61.A N HIS 59.A ND1 no hydrogen 3.034 N/A ASN 61.A ND2 VAL 139.A O no hydrogen 2.539 N/A LEU 62.A N HIS 59.A O no hydrogen 3.275 N/A ILE 63.A N ILE 141.A O no hydrogen 3.167 N/A ARG 64.A N GLU 79.A OE1 no hydrogen 3.150 N/A GLY 67.A N VAL 77.A O no hydrogen 3.108 N/A VAL 68.A N CYS 3.A O no hydrogen 2.712 N/A VAL 69.A N LYS 75.A O no hydrogen 2.971 N/A LYS 75.A N VAL 69.A O no hydrogen 3.263 N/A MET 76.A N LYS 39.A O no hydrogen 2.897 N/A VAL 77.A N GLY 67.A O no hydrogen 2.634 N/A THR 78.A N ALA 37.A O no hydrogen 3.066 N/A THR 78.A OG1 ALA 37.A O no hydrogen 3.530 N/A THR 78.A OG1 GLU 79.A O no hydrogen 3.229 N/A GLU 79.A N ARG 64.A O no hydrogen 3.055 N/A GLY 84.A N ALA 81.A O no hydrogen 3.058 N/A LEU 86.A N LEU 131.A O no hydrogen 2.954 N/A ASP 88.A N SER 85.A OG no hydrogen 3.002 N/A ARG 89.A N LEU 86.A O no hydrogen 3.111 N/A LEU 90.A N LEU 86.A O no hydrogen 3.067 N/A ARG 91.A N LEU 87.A O no hydrogen 3.049 N/A ARG 91.A NE GLY 200.A O no hydrogen 2.848 N/A LYS 92.A N ASP 88.A O no hydrogen 3.136 N/A GLN 94.A NE2 LEU 90.A O no hydrogen 2.640 N/A GLN 94.A NE2 TYR 199.A O no hydrogen 2.921 N/A LEU 102.A N LEU 98.A O no hydrogen 3.273 N/A SER 103.A N LEU 99.A O no hydrogen 3.008 N/A SER 103.A OG LEU 99.A O no hydrogen 3.074 N/A ARG 104.A N GLY 100.A O no hydrogen 3.151 N/A TYR 105.A N THR 101.A O no hydrogen 3.110 N/A TYR 105.A OH ARG 136.A O no hydrogen 1.988 N/A ALA 106.A N LEU 102.A O no hydrogen 2.775 N/A VAL 107.A N SER 103.A O no hydrogen 2.961 N/A GLN 108.A N ARG 104.A O no hydrogen 2.860 N/A GLN 108.A NE2 ASP 137.A O no hydrogen 3.339 N/A VAL 109.A N TYR 105.A O no hydrogen 3.116 N/A ALA 110.A N ALA 106.A O no hydrogen 3.116 N/A GLU 111.A N VAL 107.A O no hydrogen 2.839 N/A GLY 112.A N GLN 108.A O no hydrogen 2.986 N/A MET 113.A N VAL 109.A O no hydrogen 2.898 N/A GLY 114.A N ALA 110.A O no hydrogen 2.797 N/A TYR 115.A N GLU 111.A O no hydrogen 3.212 N/A LEU 116.A N GLY 112.A O no hydrogen 3.325 N/A GLU 117.A N MET 113.A O no hydrogen 3.006 N/A SER 118.A N GLY 114.A O no hydrogen 3.011 N/A SER 118.A OG TYR 115.A O no hydrogen 2.536 N/A LYS 119.A N TYR 115.A O no hydrogen 3.113 N/A LYS 119.A N LEU 116.A O no hydrogen 2.878 N/A LYS 119.A NZ SER 56.A O no hydrogen 3.220 N/A ARG 120.A N LEU 116.A O no hydrogen 2.749 N/A ARG 120.A N GLU 117.A O no hydrogen 3.059 N/A ARG 120.A NH1 PRO 151.A O no hydrogen 2.781 N/A ARG 120.A NH2 ASP 154.A O no hydrogen 3.030 N/A PHE 121.A N LEU 116.A O no hydrogen 3.189 N/A ILE 122.A N ARG 148.A O no hydrogen 3.014 N/A HIS 123.A N ASP 185.A OD1 no hydrogen 3.363 N/A HIS 123.A N ASP 185.A OD2 no hydrogen 2.951 N/A ARG 124.A N ASP 185.A OD1 no hydrogen 2.939 N/A ARG 124.A NE LEU 146.A O no hydrogen 2.583 N/A ARG 124.A NH2 LEU 146.A O no hydrogen 3.190 N/A ASP 125.A N HIS 123.A ND1 no hydrogen 3.127 N/A ARG 129.A NH2 ASP 125.A OD1 no hydrogen 3.330 N/A ASN 130.A N ALA 127.A O no hydrogen 3.256 N/A ASN 130.A ND2 ASP 125.A O no hydrogen 3.096 N/A LEU 131.A N ALA 128.A O no hydrogen 3.233 N/A LEU 132.A N LYS 140.A O no hydrogen 2.631 N/A LEU 133.A N GLY 84.A O no hydrogen 2.921 N/A ALA 134.A N LEU 138.A O no hydrogen 3.123 N/A ASP 137.A N THR 135.A OG1 no hydrogen 2.850 N/A LEU 138.A N THR 135.A OG1 no hydrogen 2.983 N/A LYS 140.A N LEU 132.A O no hydrogen 2.694 N/A LYS 140.A NZ GLU 79.A OE1 no hydrogen 3.069 N/A LYS 140.A NZ GLU 79.A OE2 no hydrogen 2.536 N/A ILE 141.A N ASN 61.A O no hydrogen 3.074 N/A GLY 142.A N ASN 130.A O no hydrogen 2.817 N/A GLY 145.A N ASP 143.A OD2 no hydrogen 3.280 N/A MET 147.A N PHE 144.A O no hydrogen 3.404 N/A ARG 148.A N ILE 122.A O no hydrogen 3.062 N/A ARG 148.A NH1 GLY 145.A O no hydrogen 3.168 N/A ARG 148.A NH1 MET 147.A O no hydrogen 3.343 N/A LEU 150.A N ARG 120.A O no hydrogen 3.281 N/A ASP 154.A N PRO 151.A O no hydrogen 3.332 N/A TYR 157.A N PHE 180.A O no hydrogen 3.087 N/A MET 159.A N ARG 178.A O no hydrogen 2.823 N/A ARG 163.A N GLN 160.A O no hydrogen 3.202 N/A ARG 163.A NE GLN 160.A OE1 no hydrogen 3.412 N/A ARG 163.A NH1 ASP 46.A OD1 no hydrogen 2.900 N/A ARG 163.A NH2 ASP 46.A OD1 no hydrogen 3.537 N/A ARG 163.A NH2 GLN 160.A OE1 no hydrogen 2.974 N/A LYS 164.A NZ ARG 163.A O no hydrogen 3.347 N/A TRP 169.A NE1 GLU 195.A OE1 no hydrogen 2.913 N/A CYS 170.A N PHE 167.A O no hydrogen 2.746 N/A CYS 170.A SG VAL 165.A O no hydrogen 4.044 N/A CYS 170.A SG PRO 166.A O no hydrogen 3.505 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 2.901 N/A SER 174.A OG THR 179.A O no hydrogen 2.791 N/A LEU 175.A N ALA 171.A O no hydrogen 3.200 N/A LYS 176.A N PRO 172.A O no hydrogen 3.025 N/A LYS 176.A N GLU 173.A O no hydrogen 3.157 N/A LYS 176.A NZ ASP 217.A OD1 no hydrogen 2.777 N/A LYS 176.A NZ ASP 217.A OD2 no hydrogen 3.315 N/A THR 177.A N GLU 173.A O no hydrogen 2.916 N/A THR 177.A OG1 GLU 173.A O no hydrogen 3.477 N/A THR 177.A OG1 THR 179.A OG1 no hydrogen 3.211 N/A ARG 178.A N SER 174.A O no hydrogen 2.965 N/A ARG 178.A NH1 ARG 163.A O no hydrogen 3.352 N/A ARG 178.A NH2 ARG 163.A O no hydrogen 3.098 N/A THR 179.A OG1 THR 177.A OG1 no hydrogen 3.211 N/A PHE 180.A N TYR 157.A O no hydrogen 2.951 N/A SER 181.A N SER 184.A OG no hydrogen 3.012 N/A SER 184.A N SER 181.A OG no hydrogen 3.215 N/A SER 184.A OG SER 181.A O no hydrogen 2.906 N/A ASP 185.A N SER 181.A O no hydrogen 2.737 N/A THR 186.A N HIS 182.A O no hydrogen 3.185 N/A THR 186.A OG1 HIS 182.A O no hydrogen 3.367 N/A THR 186.A OG1 PRO 249.A O no hydrogen 3.198 N/A TRP 187.A N ALA 183.A O no hydrogen 3.116 N/A MET 188.A N SER 184.A O no hydrogen 3.186 N/A PHE 189.A N ASP 185.A O no hydrogen 2.848 N/A GLY 190.A N THR 186.A O no hydrogen 2.958 N/A GLY 190.A N TRP 187.A O no hydrogen 3.040 N/A VAL 191.A N TRP 187.A O no hydrogen 3.335 N/A THR 192.A N MET 188.A O no hydrogen 3.080 N/A THR 192.A OG1 MET 188.A O no hydrogen 2.824 N/A LEU 193.A N PHE 189.A O no hydrogen 3.189 N/A TRP 194.A N GLY 190.A O no hydrogen 3.162 N/A TRP 194.A NE1 PRO 224.A O no hydrogen 2.836 N/A GLU 195.A N VAL 191.A O no hydrogen 3.137 N/A MET 196.A N THR 192.A O no hydrogen 3.015 N/A PHE 197.A N LEU 193.A O no hydrogen 2.831 N/A THR 198.A N TRP 194.A O no hydrogen 2.823 N/A THR 198.A OG1 TRP 194.A O no hydrogen 3.152 N/A THR 198.A OG1 GLU 195.A O no hydrogen 3.503 N/A TYR 199.A N MET 196.A O no hydrogen 3.302 N/A TYR 199.A OH PHE 97.A O no hydrogen 3.371 N/A GLY 200.A N GLU 195.A O no hydrogen 2.845 N/A GLN 201.A N THR 198.A OG1 no hydrogen 3.215 N/A ILE 205.A N GLU 202.A O no hydrogen 3.061 N/A LEU 207.A N TRP 204.A O no hydrogen 2.900 N/A ASN 208.A N GLN 211.A OE1 no hydrogen 3.067 N/A ILE 212.A N ASN 208.A O no hydrogen 3.020 N/A LEU 213.A N GLY 209.A O no hydrogen 2.958 N/A HIS 214.A N SER 210.A O no hydrogen 3.216 N/A LYS 215.A NZ GLU 221.A OE1 no hydrogen 2.770 N/A LYS 215.A NZ GLU 221.A OE2 no hydrogen 2.698 N/A ILE 216.A N ILE 212.A O no hydrogen 3.117 N/A ASP 217.A N LEU 213.A O no hydrogen 2.908 N/A LYS 218.A NZ ASP 217.A OD2 no hydrogen 2.742 N/A GLU 219.A N HIS 214.A O no hydrogen 2.712 N/A GLU 221.A N LYS 215.A O no hydrogen 2.727 N/A ARG 222.A NH1 ILE 216.A O no hydrogen 2.800 N/A ARG 222.A NH1 GLU 221.A O no hydrogen 3.300 N/A ARG 222.A NH2 TRP 241.A O no hydrogen 2.560 N/A ARG 225.A NH1 CYS 229.A O no hydrogen 3.217 N/A CYS 229.A N PRO 226.A O no hydrogen 2.829 N/A CYS 229.A SG PRO 230.A O no hydrogen 3.099 N/A TYR 234.A N PRO 230.A O no hydrogen 3.153 N/A TYR 234.A OH LEU 223.A O no hydrogen 2.672 N/A ASN 235.A N GLN 231.A O no hydrogen 2.847 N/A VAL 236.A N ILE 233.A O no hydrogen 2.893 N/A MET 237.A N ILE 233.A O no hydrogen 3.379 N/A VAL 238.A N TYR 234.A O no hydrogen 3.238 N/A GLN 239.A N ASN 235.A O no hydrogen 3.150 N/A GLN 239.A N VAL 236.A O no hydrogen 3.223 N/A CYS 240.A N VAL 236.A O no hydrogen 3.221 N/A CYS 240.A SG VAL 236.A O no hydrogen 3.496 N/A TRP 241.A N VAL 238.A O no hydrogen 2.997 N/A ALA 242.A N GLN 239.A O no hydrogen 3.172 N/A HIS 243.A NE2 ASP 217.A OD1 no hydrogen 3.001 N/A ASP 247.A N LYS 244.A O no hydrogen 3.200 N/A ARG 248.A N PRO 245.A O no hydrogen 3.149 N/A ARG 248.A NE ALA 242.A O no hydrogen 2.480 N/A ARG 248.A NH1 GLU 173.A OE2 no hydrogen 3.503 N/A ARG 248.A NH1 ALA 183.A O no hydrogen 3.043 N/A ARG 248.A NH2 GLU 173.A OE1 no hydrogen 3.177 N/A ARG 248.A NH2 ALA 242.A O no hydrogen 3.314 N/A PHE 251.A N GLU 117.A OE1 no hydrogen 3.022 N/A ALA 253.A N THR 250.A OG1 no hydrogen 3.278 N/A LEU 254.A N THR 250.A O no hydrogen 2.835 N/A ARG 255.A N PHE 251.A O no hydrogen 3.126 N/A ASP 256.A N VAL 252.A O no hydrogen 3.343 N/A PHE 257.A N ALA 253.A O no hydrogen 3.349 N/A LEU 258.A N LEU 254.A O no hydrogen 3.142 N/A LEU 259.A N ASP 256.A O no hydrogen 3.012 N/A GLU 260.A N ASP 256.A O no hydrogen 2.729 N/A