Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8pyj_AAA.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 7.A N ASP 5.A OD1 no hydrogen 3.086 N/A GLU 8.A N ASP 5.A O no hydrogen 3.143 N/A VAL 9.A N VAL 83.A O no hydrogen 2.652 N/A ARG 11.A NH1 GLN 86.A O no hydrogen 3.260 N/A ARG 11.A NH1 PRO 89.A O no hydrogen 2.468 N/A ARG 11.A NH2 PRO 89.A O no hydrogen 3.004 N/A LYS 13.A N ALA 10.A O no hydrogen 2.965 N/A ILE 14.A N ARG 11.A O no hydrogen 3.288 N/A THR 15.A N VAL 32.A O no hydrogen 3.004 N/A SER 17.A N GLU 30.A O no hydrogen 2.726 N/A ARG 18.A NE GLU 30.A OE2 no hydrogen 3.430 N/A LEU 20.A N VAL 28.A O no hydrogen 2.729 N/A GLN 22.A NE2 GLY 23.A O no hydrogen 3.387 N/A GLY 23.A N GLY 26.A O no hydrogen 2.688 N/A GLY 26.A N GLY 23.A O no hydrogen 3.296 N/A VAL 28.A N GLY 21.A O no hydrogen 2.871 N/A TYR 29.A N ILE 47.A O no hydrogen 2.709 N/A GLU 30.A N ARG 18.A O no hydrogen 3.063 N/A VAL 32.A N THR 15.A O no hydrogen 3.290 N/A ALA 33.A N THR 43.A O no hydrogen 2.719 N/A LYS 38.A NZ ASP 39.A OD2 no hydrogen 3.366 N/A THR 43.A OG1 GLU 40.A OE1 no hydrogen 2.592 N/A ARG 44.A NH2 GLU 30.A OE1 no hydrogen 3.159 N/A VAL 45.A N GLY 31.A O no hydrogen 3.174 N/A ALA 46.A N MET 94.A O no hydrogen 2.906 N/A ILE 47.A N TYR 29.A O no hydrogen 2.783 N/A LYS 48.A N VAL 92.A O no hydrogen 3.018 N/A THR 49.A OG1 MET 27.A O no hydrogen 2.480 N/A ASN 51.A N PHE 25.A O no hydrogen 3.130 N/A GLU 52.A N GLU 52.A OE1 no hydrogen 3.139 N/A ALA 54.A N ASN 51.A O no hydrogen 2.863 N/A ARG 59.A N SER 55.A O no hydrogen 3.185 N/A ILE 60.A N MET 56.A O no hydrogen 2.984 N/A GLU 61.A N ARG 57.A O no hydrogen 2.928 N/A PHE 62.A N GLU 58.A O no hydrogen 2.982 N/A LEU 63.A N ARG 59.A O no hydrogen 3.414 N/A ASN 64.A N ILE 60.A O no hydrogen 3.168 N/A ALA 66.A N LEU 63.A O no hydrogen 3.037 N/A SER 67.A N LEU 63.A O no hydrogen 2.977 N/A SER 67.A OG LEU 63.A O no hydrogen 3.527 N/A LYS 70.A NZ TYR 2.A OH no hydrogen 3.020 N/A LYS 70.A NZ ASP 5.A OD2 no hydrogen 3.528 N/A LYS 70.A NZ SER 67.A OG no hydrogen 2.974 N/A GLU 71.A N VAL 68.A O no hydrogen 3.182 N/A PHE 72.A N MET 69.A O no hydrogen 3.058 N/A ASN 73.A N TYR 132.A OH no hydrogen 2.609 N/A CYS 74.A SG ASP 128.A OD1 no hydrogen 3.152 N/A VAL 77.A N CYS 74.A O no hydrogen 2.920 N/A VAL 78.A N ILE 158.A O no hydrogen 2.982 N/A ARG 79.A N GLU 95.A OE2 no hydrogen 3.148 N/A LEU 81.A N ILE 93.A O no hydrogen 3.028 N/A VAL 83.A N TRP 7.A O no hydrogen 3.135 N/A VAL 84.A N LEU 91.A O no hydrogen 3.000 N/A SER 85.A OG GLU 8.A OE1 no hydrogen 3.414 N/A SER 85.A OG GLU 8.A OE2 no hydrogen 2.421 N/A SER 85.A OG GLN 86.A OE1 no hydrogen 2.995 N/A GLN 86.A N GLU 8.A OE1 no hydrogen 3.407 N/A LEU 91.A N VAL 84.A O no hydrogen 3.314 N/A VAL 92.A N LYS 48.A O no hydrogen 3.122 N/A ILE 93.A N GLY 82.A O no hydrogen 3.026 N/A MET 94.A N ALA 46.A O no hydrogen 3.047 N/A GLU 95.A N ARG 79.A O no hydrogen 2.964 N/A ARG 99.A N VAL 150.A O no hydrogen 3.122 N/A ARG 99.A NE GLU 152.A O no hydrogen 2.924 N/A GLY 100.A N MET 97.A O no hydrogen 2.998 N/A LEU 102.A N CYS 148.A O no hydrogen 3.031 N/A LYS 103.A N ALA 145.A O no hydrogen 3.268 N/A LYS 103.A NZ ASP 171.A OD1 no hydrogen 3.474 N/A LYS 103.A NZ ASP 171.A OD2 no hydrogen 2.975 N/A LYS 103.A NZ GLN 218.A OE1 no hydrogen 2.684 N/A SER 104.A N ASP 101.A OD2 no hydrogen 3.027 N/A SER 104.A OG ASP 101.A OD1 no hydrogen 2.355 N/A SER 104.A OG ASP 101.A OD2 no hydrogen 3.204 N/A SER 104.A OG TYR 168.A OH no hydrogen 2.933 N/A TYR 105.A N ASP 101.A O no hydrogen 3.183 N/A LEU 106.A N LEU 102.A O no hydrogen 2.908 N/A ARG 107.A N LYS 103.A O no hydrogen 2.980 N/A ARG 107.A NE ALA 216.A O no hydrogen 3.223 N/A ARG 107.A NH2 ALA 216.A O no hydrogen 3.077 N/A ARG 107.A NH2 GLN 218.A OE1 no hydrogen 2.618 N/A SER 108.A N SER 104.A O no hydrogen 2.891 N/A SER 108.A OG SER 104.A O no hydrogen 3.117 N/A SER 108.A OG TYR 105.A O no hydrogen 2.588 N/A LEU 109.A N LEU 106.A O no hydrogen 3.164 N/A ARG 110.A N ARG 107.A O no hydrogen 3.126 N/A ARG 110.A NE LEU 215.A O no hydrogen 3.253 N/A ARG 110.A NH2 LEU 215.A O no hydrogen 3.250 N/A SER 117.A N SER 115.A OG no hydrogen 3.236 N/A LYS 118.A N SER 115.A O no hydrogen 2.920 N/A MET 119.A N SER 115.A O no hydrogen 3.046 N/A ILE 120.A N LEU 116.A O no hydrogen 2.891 N/A ILE 120.A N SER 117.A O no hydrogen 3.157 N/A GLN 121.A N SER 117.A O no hydrogen 2.768 N/A GLN 121.A NE2 GLU 125.A OE2 no hydrogen 3.027 N/A MET 122.A N LYS 118.A O no hydrogen 3.038 N/A ALA 123.A N MET 119.A O no hydrogen 3.200 N/A GLY 124.A N ILE 120.A O no hydrogen 2.923 N/A GLU 125.A N GLN 121.A O no hydrogen 2.917 N/A ILE 126.A N MET 122.A O no hydrogen 3.079 N/A ALA 127.A N ALA 123.A O no hydrogen 3.106 N/A ASP 128.A N GLY 124.A O no hydrogen 2.984 N/A GLY 129.A N GLU 125.A O no hydrogen 3.491 N/A MET 130.A N ILE 126.A O no hydrogen 3.067 N/A ALA 131.A N ALA 127.A O no hydrogen 2.927 N/A TYR 132.A N ASP 128.A O no hydrogen 3.184 N/A LEU 133.A N GLY 129.A O no hydrogen 3.079 N/A ASN 134.A N MET 130.A O no hydrogen 2.845 N/A ASN 134.A ND2 PHE 138.A O no hydrogen 3.138 N/A ASN 134.A ND2 ASP 201.A OD2 no hydrogen 3.289 N/A ALA 135.A N ALA 131.A O no hydrogen 2.990 N/A ASN 136.A N TYR 132.A O no hydrogen 2.962 N/A ASN 136.A N LEU 133.A O no hydrogen 2.788 N/A ASN 136.A ND2 TYR 132.A O no hydrogen 2.593 N/A LYS 137.A N ASN 134.A O no hydrogen 3.082 N/A PHE 138.A N LEU 133.A O no hydrogen 3.088 N/A HIS 140.A N ASP 201.A OD2 no hydrogen 2.858 N/A HIS 140.A NE2 GLY 159.A O no hydrogen 2.832 N/A ARG 141.A N ASP 201.A OD1 no hydrogen 3.221 N/A ASP 142.A N HIS 140.A ND1 no hydrogen 3.150 N/A ALA 145.A N GLU 211.A OE1 no hydrogen 2.869 N/A ARG 146.A NE TYR 172.A OH no hydrogen 2.871 N/A ARG 146.A NH1 ASP 171.A OD2 no hydrogen 2.876 N/A ARG 146.A NH2 ASP 142.A OD1 no hydrogen 2.777 N/A ARG 146.A NH2 TYR 172.A OH no hydrogen 3.068 N/A ASN 147.A N ALA 144.A O no hydrogen 2.979 N/A ASN 147.A ND2 ASP 142.A O no hydrogen 2.792 N/A CYS 148.A N ALA 144.A O no hydrogen 3.232 N/A CYS 148.A N ALA 145.A O no hydrogen 3.178 N/A CYS 148.A SG ALA 144.A O no hydrogen 3.446 N/A MET 149.A N LYS 157.A O no hydrogen 2.547 N/A VAL 150.A N GLY 100.A O no hydrogen 2.903 N/A ALA 151.A N THR 155.A O no hydrogen 3.002 N/A PHE 154.A N ALA 151.A O no hydrogen 2.614 N/A THR 155.A N ASP 153.A OD1 no hydrogen 2.911 N/A THR 155.A OG1 ASP 153.A OD1 no hydrogen 2.755 N/A VAL 156.A N GLU 125.A OE1 no hydrogen 3.003 N/A LYS 157.A N MET 149.A O no hydrogen 2.704 N/A LYS 157.A NZ HIS 75.A O no hydrogen 2.880 N/A LYS 157.A NZ GLU 95.A OE1 no hydrogen 2.886 N/A LYS 157.A NZ GLU 95.A OE2 no hydrogen 3.233 N/A ILE 158.A N HIS 76.A O no hydrogen 3.084 N/A GLY 159.A N ASN 147.A O no hydrogen 2.894 N/A PHE 161.A N ASN 147.A OD1 no hydrogen 2.846 N/A GLY 162.A N ASP 160.A OD1 no hydrogen 3.087 N/A ARG 165.A NH1 ARG 146.A O no hydrogen 3.247 N/A ARG 165.A NH2 ASP 101.A OD1 no hydrogen 3.041 N/A TYR 168.A N ARG 165.A O no hydrogen 3.204 N/A TYR 168.A OH ASP 101.A OD1 no hydrogen 3.172 N/A TYR 168.A OH ASP 101.A OD2 no hydrogen 2.691 N/A GLU 169.A N ASP 166.A O no hydrogen 3.178 N/A ASP 171.A N TYR 168.A O no hydrogen 2.985 N/A TYR 172.A N GLU 169.A O no hydrogen 3.261 N/A TYR 172.A OH ASP 142.A OD1 no hydrogen 3.344 N/A TYR 172.A OH ASP 142.A OD2 no hydrogen 2.641 N/A TYR 173.A N LEU 181.A O no hydrogen 2.832 N/A ARG 174.A NH1 LYS 178.A O no hydrogen 3.237 N/A GLY 177.A N ARG 174.A O no hydrogen 3.184 N/A LYS 178.A N LYS 175.A O no hydrogen 2.699 N/A LEU 181.A N TYR 173.A O no hydrogen 2.695 N/A ARG 184.A NH1 PRO 219.A O no hydrogen 2.897 N/A ARG 184.A NH1 TYR 220.A O no hydrogen 3.075 N/A ARG 184.A NH1 LEU 223.A O no hydrogen 3.563 N/A ARG 184.A NH2 LEU 223.A O no hydrogen 2.860 N/A TRP 185.A N PRO 182.A O no hydrogen 2.926 N/A TRP 185.A NE1 GLU 211.A OE1 no hydrogen 2.772 N/A MET 186.A N VAL 183.A O no hydrogen 3.250 N/A SER 187.A OG SER 190.A OG no hydrogen 2.529 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 2.954 N/A SER 190.A N SER 187.A O no hydrogen 3.136 N/A SER 190.A N SER 187.A OG no hydrogen 2.825 N/A SER 190.A OG SER 187.A OG no hydrogen 2.529 N/A SER 190.A OG VAL 195.A O no hydrogen 3.058 N/A LEU 191.A N SER 187.A O no hydrogen 3.084 N/A LYS 192.A N PRO 188.A O no hydrogen 3.038 N/A ASP 193.A N GLU 189.A O no hydrogen 3.172 N/A GLY 194.A N SER 190.A O no hydrogen 3.247 N/A VAL 195.A N GLU 189.A O no hydrogen 3.335 N/A THR 197.A N SER 200.A OG no hydrogen 2.658 N/A SER 200.A N THR 197.A OG1 no hydrogen 3.097 N/A SER 200.A OG THR 197.A O no hydrogen 2.613 N/A ASP 201.A N THR 197.A O no hydrogen 2.924 N/A VAL 202.A N THR 198.A O no hydrogen 2.869 N/A TRP 203.A N TYR 199.A O no hydrogen 3.230 N/A SER 204.A N SER 200.A O no hydrogen 3.164 N/A SER 204.A OG TRP 185.A O no hydrogen 2.682 N/A SER 204.A OG SER 200.A O no hydrogen 3.406 N/A PHE 205.A N ASP 201.A O no hydrogen 3.117 N/A GLY 206.A N VAL 202.A O no hydrogen 3.121 N/A VAL 207.A N TRP 203.A O no hydrogen 3.154 N/A VAL 208.A N SER 204.A O no hydrogen 2.833 N/A LEU 209.A N PHE 205.A O no hydrogen 3.001 N/A TRP 210.A N GLY 206.A O no hydrogen 3.005 N/A TRP 210.A NE1 ASP 239.A O no hydrogen 3.018 N/A GLU 211.A N VAL 207.A O no hydrogen 2.835 N/A ILE 212.A N VAL 208.A O no hydrogen 2.847 N/A ALA 213.A N LEU 209.A O no hydrogen 2.975 N/A THR 214.A N TRP 210.A O no hydrogen 2.907 N/A THR 214.A OG1 TRP 210.A O no hydrogen 3.008 N/A THR 214.A OG1 GLU 211.A O no hydrogen 3.135 N/A LEU 215.A N ILE 212.A O no hydrogen 3.269 N/A ALA 216.A N GLU 211.A O no hydrogen 2.537 N/A GLU 217.A N THR 214.A OG1 no hydrogen 3.331 N/A GLN 218.A NE2 ASP 171.A OD1 no hydrogen 2.601 N/A LEU 223.A N TYR 220.A O no hydrogen 2.923 N/A SER 224.A N GLN 227.A OE1 no hydrogen 2.727 N/A GLN 227.A N SER 224.A OG no hydrogen 3.337 N/A VAL 228.A N SER 224.A O no hydrogen 2.853 N/A LEU 229.A N ASN 225.A O no hydrogen 3.246 N/A ARG 230.A N GLU 226.A O no hydrogen 3.198 N/A PHE 231.A N GLN 227.A O no hydrogen 2.974 N/A VAL 232.A N VAL 228.A O no hydrogen 2.896 N/A MET 233.A N LEU 229.A O no hydrogen 2.862 N/A GLU 234.A N ARG 230.A O no hydrogen 3.064 N/A GLU 234.A N PHE 231.A O no hydrogen 3.281 N/A GLY 235.A N VAL 232.A O no hydrogen 3.147 N/A GLY 236.A N PHE 231.A O no hydrogen 2.903 N/A LYS 240.A NZ ASP 246.A OD1 no hydrogen 3.347 N/A CYS 244.A N PRO 241.A O no hydrogen 3.307 N/A CYS 244.A SG PRO 245.A O no hydrogen 3.653 N/A LEU 248.A N PRO 245.A O no hydrogen 3.218 N/A PHE 249.A N PRO 245.A O no hydrogen 3.241 N/A GLU 250.A N ASP 246.A O no hydrogen 3.094 N/A LEU 251.A N MET 247.A O no hydrogen 3.197 N/A MET 252.A N LEU 248.A O no hydrogen 3.320 N/A ARG 253.A N PHE 249.A O no hydrogen 2.952 N/A MET 254.A N GLU 250.A O no hydrogen 3.035 N/A CYS 255.A N LEU 251.A O no hydrogen 3.146 N/A CYS 255.A SG LEU 251.A O no hydrogen 3.361 N/A TRP 256.A N ARG 253.A O no hydrogen 2.905 N/A GLN 257.A N MET 254.A O no hydrogen 3.308 N/A GLN 257.A NE2 ARG 253.A O no hydrogen 3.589 N/A TYR 258.A OH MET 233.A O no hydrogen 2.626 N/A LYS 261.A N ASN 259.A OD1 no hydrogen 3.167 N/A MET 262.A N ASN 259.A O no hydrogen 2.827 N/A ARG 263.A N PRO 260.A O no hydrogen 3.150 N/A ARG 263.A NE GLN 257.A O no hydrogen 2.667 N/A ARG 263.A NH1 GLU 189.A OE2 no hydrogen 2.893 N/A ARG 263.A NH1 TYR 199.A O no hydrogen 2.899 N/A ARG 263.A NH2 GLU 189.A OE1 no hydrogen 2.785 N/A ARG 263.A NH2 GLU 189.A OE2 no hydrogen 3.538 N/A ARG 263.A NH2 GLN 257.A O no hydrogen 3.113 N/A ARG 263.A NH2 TYR 258.A O no hydrogen 2.972 N/A SER 265.A N GLU 268.A OE2 no hydrogen 3.258 N/A GLU 268.A N SER 265.A OG no hydrogen 2.978 N/A ILE 269.A N SER 265.A O no hydrogen 2.784 N/A ILE 270.A N PHE 266.A O no hydrogen 2.787 N/A SER 271.A N LEU 267.A O no hydrogen 3.024 N/A SER 272.A N GLU 268.A O no hydrogen 2.892 N/A ILE 273.A N ILE 269.A O no hydrogen 2.942 N/A LYS 274.A N ILE 270.A O no hydrogen 2.914 N/A GLU 275.A N SER 271.A O no hydrogen 3.186 N/A