Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qrj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 4.A N VAL 66.A O no hydrogen 2.880 N/A THR 7.A N GLU 5.A OE2 no hydrogen 3.086 N/A THR 7.A OG1 GLU 5.A OE2 no hydrogen 2.975 N/A ASP 8.A N GLU 5.A O no hydrogen 2.934 N/A ILE 9.A N ARG 6.A O no hydrogen 2.880 N/A THR 10.A N VAL 27.A O no hydrogen 2.987 N/A LYS 12.A N GLU 25.A O no hydrogen 2.708 N/A LYS 14.A NZ GLU 22.A OE2 no hydrogen 2.788 N/A LEU 15.A N VAL 23.A O no hydrogen 2.790 N/A GLY 18.A N LEU 15.A O no hydrogen 3.023 N/A GLN 19.A N GLY 16.A O no hydrogen 3.015 N/A TYR 20.A OH ARG 129.A O no hydrogen 2.674 N/A VAL 23.A N GLY 21.A O no hydrogen 2.811 N/A TYR 24.A N VAL 37.A O no hydrogen 2.791 N/A TYR 24.A OH GLU 22.A OE1 no hydrogen 2.932 N/A GLU 25.A N HIS 13.A O no hydrogen 2.721 N/A GLY 26.A N VAL 35.A O no hydrogen 3.013 N/A VAL 27.A N THR 10.A O no hydrogen 2.690 N/A TRP 28.A N LEU 33.A O no hydrogen 2.778 N/A LYS 29.A N ASP 8.A O no hydrogen 3.058 N/A LYS 29.A NZ THR 7.A O no hydrogen 3.501 N/A TYR 31.A N TRP 28.A O no hydrogen 3.072 N/A SER 32.A N LYS 29.A O no hydrogen 3.083 N/A LEU 33.A N TRP 28.A O no hydrogen 3.301 N/A VAL 35.A N GLY 26.A O no hydrogen 2.860 N/A ALA 36.A N ILE 77.A O no hydrogen 2.689 N/A VAL 37.A N TYR 24.A O no hydrogen 2.783 N/A LYS 38.A N ILE 75.A O no hydrogen 2.622 N/A LYS 38.A NZ GLU 48.A OE1 no hydrogen 2.775 N/A THR 39.A N GLU 22.A O no hydrogen 2.842 N/A THR 39.A OG1 GLU 22.A O no hydrogen 3.271 N/A LEU 40.A N PHE 73.A O no hydrogen 3.289 N/A LEU 46.A N VAL 42.A O no hydrogen 2.709 N/A LYS 47.A N.A GLU 43.A O no hydrogen 3.300 N/A LYS 47.A N.A GLU 44.A O no hydrogen 3.090 N/A LYS 47.A N.B GLU 43.A O no hydrogen 3.300 N/A LYS 47.A NZ.B GLU 43.A O no hydrogen 3.522 N/A GLU 48.A N GLU 44.A O no hydrogen 3.134 N/A ALA 50.A N LEU 46.A O no hydrogen 3.248 N/A VAL 51.A N LYS 47.A O.A no hydrogen 3.187 N/A VAL 51.A N LYS 47.A O.B no hydrogen 3.080 N/A MET 52.A N GLU 48.A O no hydrogen 3.035 N/A LYS 53.A N ALA 49.A O no hydrogen 2.930 N/A LYS 53.A N ALA 50.A O no hydrogen 3.152 N/A GLU 54.A N VAL 51.A O no hydrogen 2.983 N/A ILE 55.A N MET 52.A O no hydrogen 3.399 N/A LYS 56.A N TYR 115.A OH no hydrogen 3.249 N/A ASN 59.A N HIS 57.A ND1 no hydrogen 3.084 N/A ASN 59.A ND2 GLN 108.A OE1 no hydrogen 3.052 N/A ASN 59.A ND2 VAL 139.A O no hydrogen 2.873 N/A LEU 60.A N HIS 57.A O no hydrogen 3.207 N/A VAL 61.A N VAL 141.A O no hydrogen 3.257 N/A LEU 64.A N ILE 76.A O no hydrogen 2.744 N/A GLY 65.A N ILE 76.A O no hydrogen 3.279 N/A VAL 66.A N TRP 2.A O no hydrogen 2.929 N/A CYS 67.A N TYR 74.A O no hydrogen 2.822 N/A CYS 67.A SG MET 4.A O no hydrogen 3.436 N/A THR 68.A N GLU 3.A OE1 no hydrogen 2.803 N/A THR 68.A OG1 GLU 3.A OE1 no hydrogen 3.362 N/A TYR 74.A N CYS 67.A O no hydrogen 3.013 N/A ILE 75.A N LYS 38.A O no hydrogen 2.830 N/A ILE 76.A N GLY 65.A O no hydrogen 3.027 N/A ILE 77.A N ALA 36.A O no hydrogen 2.725 N/A GLU 78.A N GLN 62.A O no hydrogen 3.068 N/A THR 81.A OG1 GLU 135.A OE1 no hydrogen 3.315 N/A TYR 82.A N VAL 133.A O no hydrogen 2.875 N/A GLY 83.A N MET 80.A O no hydrogen 3.231 N/A ASN 84.A ND2 ASP 87.A OD2 no hydrogen 3.160 N/A LEU 85.A N CYS 131.A O no hydrogen 2.761 N/A LEU 86.A N ALA 128.A O no hydrogen 3.354 N/A ASP 87.A N ASN 84.A OD1 no hydrogen 2.903 N/A TYR 88.A N ASN 84.A O no hydrogen 2.993 N/A TYR 88.A OH HIS 137.A NE2 no hydrogen 2.883 N/A LEU 89.A N LEU 85.A O no hydrogen 2.895 N/A ARG 90.A N LEU 86.A O no hydrogen 3.109 N/A ARG 90.A NE GLY 198.A O no hydrogen 2.686 N/A ARG 90.A NH2 GLY 198.A O no hydrogen 3.126 N/A GLU 91.A N ASP 87.A O no hydrogen 2.987 N/A CYS 92.A SG LEU 89.A O no hydrogen 3.409 N/A GLN 95.A N ASN 93.A OD1 no hydrogen 2.829 N/A GLU 96.A N ASN 93.A OD1 no hydrogen 3.241 N/A VAL 97.A N ASN 93.A O no hydrogen 2.755 N/A ASN 98.A ND2 GLN 95.A O no hydrogen 3.132 N/A VAL 100.A N ASN 98.A OD1 no hydrogen 3.076 N/A VAL 101.A N ASN 98.A OD1 no hydrogen 3.360 N/A LEU 102.A N ASN 98.A O no hydrogen 2.912 N/A LEU 103.A N ALA 99.A O no hydrogen 2.989 N/A TYR 104.A N VAL 100.A O no hydrogen 2.901 N/A MET 105.A N VAL 101.A O no hydrogen 2.809 N/A ALA 106.A N LEU 102.A O no hydrogen 3.077 N/A THR 107.A N LEU 103.A O no hydrogen 2.995 N/A THR 107.A OG1 LEU 103.A O no hydrogen 3.059 N/A GLN 108.A N TYR 104.A O no hydrogen 2.969 N/A GLN 108.A NE2 TYR 104.A O no hydrogen 3.368 N/A GLN 108.A NE2 HIS 137.A O no hydrogen 2.877 N/A ILE 109.A N MET 105.A O no hydrogen 3.211 N/A SER 110.A N ALA 106.A O no hydrogen 2.987 N/A SER 110.A OG ALA 106.A O no hydrogen 3.515 N/A SER 110.A OG THR 107.A O no hydrogen 3.140 N/A SER 111.A N THR 107.A O no hydrogen 3.072 N/A SER 111.A OG.A THR 107.A O no hydrogen 3.015 N/A SER 111.A OG.A HIS 252.A NE2 no hydrogen 2.605 N/A ALA 112.A N GLN 108.A O no hydrogen 3.058 N/A MET 113.A N ILE 109.A O no hydrogen 2.831 N/A GLU 114.A N SER 110.A O no hydrogen 2.771 N/A TYR 115.A N SER 111.A O no hydrogen 3.034 N/A LEU 116.A N ALA 112.A O no hydrogen 3.090 N/A GLU 117.A N MET 113.A O no hydrogen 2.832 N/A LYS 118.A N GLU 114.A O no hydrogen 3.076 N/A LYS 119.A N TYR 115.A O no hydrogen 3.163 N/A LYS 119.A NZ GLU 54.A O no hydrogen 3.153 N/A LYS 119.A NZ TYR 115.A OH no hydrogen 2.538 N/A ASN 120.A N GLU 117.A O no hydrogen 3.132 N/A PHE 121.A N LEU 116.A O no hydrogen 2.929 N/A HIS 123.A N ASP 183.A OD2 no hydrogen 2.734 N/A HIS 123.A NE2 ALA 142.A O no hydrogen 2.739 N/A ARG 124.A N ASP 183.A OD1 no hydrogen 2.926 N/A ASP 125.A N HIS 123.A ND1 no hydrogen 3.049 N/A ALA 128.A N GLU 193.A OE2 no hydrogen 2.874 N/A ARG 129.A NE TYR 155.A OH no hydrogen 2.977 N/A ARG 129.A NH2 ASP 125.A OD1 no hydrogen 3.146 N/A ARG 129.A NH2 TYR 155.A OH no hydrogen 3.522 N/A ASN 130.A N ALA 127.A O no hydrogen 2.933 N/A ASN 130.A ND2 ASP 125.A O no hydrogen 2.815 N/A ASN 130.A ND2 ASP 125.A OD2 no hydrogen 3.393 N/A CYS 131.A N ALA 128.A O no hydrogen 3.084 N/A CYS 131.A SG ALA 127.A O no hydrogen 3.677 N/A LEU 132.A N LYS 140.A O no hydrogen 2.802 N/A VAL 133.A N GLY 83.A O no hydrogen 2.839 N/A GLY 134.A N LEU 138.A O no hydrogen 2.881 N/A GLU 135.A N GLU 135.A OE1 no hydrogen 2.441 N/A LEU 138.A N GLU 135.A O no hydrogen 3.334 N/A VAL 139.A N GLN 108.A OE1 no hydrogen 3.018 N/A LYS 140.A N LEU 132.A O no hydrogen 3.080 N/A LYS 140.A NZ PRO 58.A O no hydrogen 3.238 N/A LYS 140.A NZ LEU 60.A O no hydrogen 3.191 N/A LYS 140.A NZ GLU 78.A OE2 no hydrogen 3.064 N/A VAL 141.A N ASN 59.A O no hydrogen 2.805 N/A ALA 142.A N ASN 130.A O no hydrogen 2.927 N/A PHE 144.A N ASN 130.A OD1 no hydrogen 2.959 N/A GLY 145.A N ASP 143.A OD1 no hydrogen 3.058 N/A ARG 148.A N GLY 145.A O no hydrogen 3.375 N/A LEU 149.A N LEU 146.A O no hydrogen 2.826 N/A MET 150.A N LEU 146.A O no hydrogen 3.028 N/A THR 151.A OG1 ASP 153.A OD2 no hydrogen 2.356 N/A ASP 153.A N THR 151.A OG1 no hydrogen 3.197 N/A THR 154.A N THR 151.A O no hydrogen 2.972 N/A TYR 155.A N THR 151.A O no hydrogen 2.966 N/A TYR 155.A OH ASP 125.A OD1 no hydrogen 3.320 N/A TYR 155.A OH ASP 125.A OD2 no hydrogen 2.355 N/A THR 156.A N PHE 163.A O no hydrogen 2.901 N/A ALA 157.A N THR 156.A OG1 no hydrogen 2.856 N/A HIS 158.A N ALA 161.A O no hydrogen 2.771 N/A ALA 161.A N HIS 158.A O no hydrogen 3.027 N/A LYS 162.A NZ SER 147.A O no hydrogen 2.921 N/A PHE 163.A N THR 156.A O no hydrogen 2.836 N/A LYS 166.A NZ PRO 201.A O no hydrogen 3.202 N/A LYS 166.A NZ TYR 202.A O no hydrogen 2.852 N/A LYS 166.A NZ ILE 205.A O no hydrogen 2.513 N/A TRP 167.A N PRO 164.A O no hydrogen 3.010 N/A TRP 167.A NE1 GLU 193.A OE2 no hydrogen 2.852 N/A THR 168.A N ILE 165.A O no hydrogen 3.042 N/A THR 168.A OG1 PRO 164.A O no hydrogen 2.872 N/A GLU 171.A N GLU 171.A OE1 no hydrogen 2.773 N/A SER 172.A OG LYS 177.A O no hydrogen 2.754 N/A LEU 173.A N ALA 169.A O no hydrogen 2.978 N/A ALA 174.A N PRO 170.A O no hydrogen 2.840 N/A TYR 175.A N GLU 171.A O no hydrogen 2.930 N/A LYS 177.A N GLU 171.A O no hydrogen 3.386 N/A SER 179.A N SER 182.A OG no hydrogen 2.724 N/A LYS 181.A NZ.A PRO 242.A O no hydrogen 3.072 N/A LYS 181.A NZ.A ARG 245.A O no hydrogen 2.813 N/A LYS 181.A NZ.B ARG 245.A O no hydrogen 3.442 N/A SER 182.A N SER 179.A O no hydrogen 2.917 N/A SER 182.A N SER 179.A OG no hydrogen 3.392 N/A SER 182.A OG SER 179.A O no hydrogen 2.760 N/A ASP 183.A N SER 179.A O no hydrogen 3.166 N/A VAL 184.A N ILE 180.A O no hydrogen 2.892 N/A TRP 185.A N LYS 181.A O no hydrogen 3.214 N/A ALA 186.A N SER 182.A O no hydrogen 3.045 N/A PHE 187.A N ASP 183.A O no hydrogen 2.829 N/A GLY 188.A N VAL 184.A O no hydrogen 2.930 N/A VAL 189.A N TRP 185.A O no hydrogen 3.297 N/A LEU 190.A N ALA 186.A O no hydrogen 2.970 N/A LEU 191.A N PHE 187.A O no hydrogen 2.767 N/A TRP 192.A N GLY 188.A O no hydrogen 3.123 N/A TRP 192.A NE1 GLU 221.A O no hydrogen 3.006 N/A GLU 193.A N VAL 189.A O no hydrogen 2.773 N/A ILE 194.A N LEU 190.A O no hydrogen 2.899 N/A ALA 195.A N LEU 191.A O no hydrogen 3.119 N/A THR 196.A N TRP 192.A O no hydrogen 3.042 N/A THR 196.A N GLU 193.A O no hydrogen 3.286 N/A THR 196.A OG1 TRP 192.A O no hydrogen 2.919 N/A THR 196.A OG1 GLU 193.A O no hydrogen 3.165 N/A TYR 197.A N ILE 194.A O no hydrogen 3.140 N/A TYR 197.A OH VAL 97.A O no hydrogen 2.561 N/A GLY 198.A N GLU 193.A O no hydrogen 2.856 N/A MET 199.A N THR 196.A OG1 no hydrogen 3.033 N/A SER 200.A OG PRO 201.A O no hydrogen 3.375 N/A ILE 205.A N TYR 202.A O no hydrogen 3.030 N/A GLN 209.A N ASP 206.A O no hydrogen 2.883 N/A TYR 211.A OH GLU 215.A OE2 no hydrogen 3.352 N/A LEU 213.A N GLN 209.A O no hydrogen 3.229 N/A LEU 214.A N VAL 210.A O no hydrogen 3.048 N/A GLU 215.A N TYR 211.A O no hydrogen 2.934 N/A LYS 216.A N GLU 212.A O no hydrogen 3.157 N/A LYS 216.A N LEU 213.A O no hydrogen 3.153 N/A ASP 217.A N LEU 214.A O no hydrogen 2.748 N/A TYR 218.A N LEU 213.A O no hydrogen 3.326 N/A ARG 219.A NE TRP 238.A O no hydrogen 2.931 N/A ARG 219.A NH1 LEU 214.A O no hydrogen 2.882 N/A ARG 219.A NH1 TYR 218.A O no hydrogen 2.950 N/A ARG 219.A NH2 TRP 238.A O no hydrogen 3.011 N/A ARG 222.A NH1 CYS 226.A O no hydrogen 3.118 N/A CYS 226.A N PRO 223.A O no hydrogen 3.262 N/A CYS 226.A SG PRO 227.A O no hydrogen 3.659 N/A VAL 230.A N PRO 227.A O no hydrogen 2.999 N/A TYR 231.A N PRO 227.A O no hydrogen 3.117 N/A TYR 231.A OH MET 220.A O no hydrogen 2.587 N/A GLU 232.A N GLU 228.A O no hydrogen 2.924 N/A LEU 233.A N LYS 229.A O no hydrogen 3.153 N/A MET 234.A N VAL 230.A O no hydrogen 3.134 N/A ARG 235.A N TYR 231.A O no hydrogen 2.919 N/A ALA 236.A N GLU 232.A O no hydrogen 2.688 N/A CYS 237.A N LEU 233.A O no hydrogen 2.866 N/A CYS 237.A SG LEU 233.A O no hydrogen 3.300 N/A TRP 238.A N MET 234.A O no hydrogen 2.880 N/A TRP 238.A N ARG 235.A O no hydrogen 3.218 N/A GLN 239.A N ALA 236.A O no hydrogen 3.257 N/A GLN 239.A NE2 ARG 235.A O no hydrogen 3.530 N/A SER 243.A N ASN 241.A OD1 no hydrogen 2.995 N/A SER 243.A OG ASN 241.A OD1 no hydrogen 2.802 N/A ASP 244.A N ASN 241.A O no hydrogen 2.914 N/A ARG 245.A N PRO 242.A O no hydrogen 3.080 N/A ARG 245.A NE GLN 239.A O no hydrogen 2.948 N/A ARG 245.A NH1 GLU 171.A OE2 no hydrogen 2.771 N/A ARG 245.A NH1 LYS 181.A O no hydrogen 3.021 N/A ARG 245.A NH2 GLU 171.A OE1 no hydrogen 2.804 N/A ARG 245.A NH2 GLU 171.A OE2 no hydrogen 3.562 N/A ARG 245.A NH2 GLN 239.A O no hydrogen 3.145 N/A SER 247.A N GLU 250.A OE2 no hydrogen 3.043 N/A PHE 248.A N GLU 117.A OE2 no hydrogen 2.898 N/A ALA 249.A N GLU 117.A OE1 no hydrogen 3.159 N/A GLU 250.A N SER 247.A OG no hydrogen 2.907 N/A ILE 251.A N SER 247.A O no hydrogen 2.884 N/A HIS 252.A N PHE 248.A O no hydrogen 2.891 N/A GLN 253.A N ALA 249.A O no hydrogen 3.113 N/A ALA 254.A N GLU 250.A O no hydrogen 3.106 N/A PHE 255.A N ILE 251.A O no hydrogen 3.188 N/A GLU 256.A N HIS 252.A O no hydrogen 3.045 N/A THR 257.A N GLN 253.A O no hydrogen 3.030 N/A THR 257.A OG1 GLN 253.A O no hydrogen 2.977 N/A MET 258.A N PHE 255.A O no hydrogen 3.453 N/A