Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wxr_F.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NE TYR 22.A OH no hydrogen 2.906 N/A TYR 4.A N ARG 1.A O no hydrogen 2.755 N/A ASP 5.A N ASN 2.A O no hydrogen 3.498 N/A THR 8.A OG1 GLY 123.A O no hydrogen 3.463 N/A THR 10.A OG1 ASP 7.A OD2 no hydrogen 3.252 N/A SER 12.A N ARG 16.A O no hydrogen 2.705 N/A SER 12.A OG THR 14.A OG1 no hydrogen 2.788 N/A THR 14.A N SER 12.A OG no hydrogen 3.252 N/A THR 14.A OG1 SER 12.A OG no hydrogen 2.788 N/A GLY 15.A N SER 12.A O no hydrogen 2.928 N/A ARG 16.A N SER 12.A OG no hydrogen 3.362 N/A ARG 16.A NE GLU 21.A OE1 no hydrogen 3.338 N/A ARG 16.A NE GLU 21.A OE2 no hydrogen 3.446 N/A ARG 16.A NH2 GLU 21.A OE1 no hydrogen 2.645 N/A GLN 19.A NE2 ASP 5.A O no hydrogen 2.822 N/A GLU 21.A N LEU 17.A O no hydrogen 3.221 N/A TYR 22.A N PHE 18.A O no hydrogen 2.827 N/A TYR 22.A OH ASP 5.A OD2 no hydrogen 2.309 N/A ALA 23.A N GLN 19.A O no hydrogen 3.063 N/A LEU 24.A N VAL 20.A O no hydrogen 3.102 N/A GLU 25.A N TYR 22.A O no hydrogen 2.814 N/A ALA 26.A N ALA 23.A O no hydrogen 3.155 N/A ILE 27.A N LEU 24.A O no hydrogen 3.342 N/A LYS 28.A N GLU 25.A O no hydrogen 3.223 N/A GLY 30.A N ILE 27.A O no hydrogen 3.273 N/A SER 31.A OG LEU 47.A O no hydrogen 2.516 N/A THR 33.A N ILE 159.A O no hydrogen 3.032 N/A THR 33.A OG1 VAL 45.A O no hydrogen 3.227 N/A THR 33.A OG1 SER 71.A OG no hydrogen 2.819 N/A VAL 34.A N VAL 45.A O no hydrogen 2.565 N/A GLY 35.A N THR 157.A O no hydrogen 2.749 N/A LEU 36.A N VAL 43.A O no hydrogen 3.065 N/A ARG 37.A N TYR 155.A O no hydrogen 3.000 N/A SER 38.A N HIS 41.A O no hydrogen 2.798 N/A SER 38.A OG ILE 180.A O no hydrogen 3.134 N/A ASN 39.A N ASP 181.A OD1 no hydrogen 3.520 N/A ASN 39.A ND2 ILE 178.A O no hydrogen 3.302 N/A THR 40.A N SER 38.A OG no hydrogen 3.234 N/A THR 40.A OG1 HIS 41.A ND1 no hydrogen 2.740 N/A HIS 41.A ND1 THR 40.A OG1 no hydrogen 2.740 N/A HIS 41.A NE2 THR 218.A OG1 no hydrogen 3.249 N/A ALA 42.A N VAL 214.A O no hydrogen 2.831 N/A VAL 43.A N LEU 36.A O no hydrogen 2.680 N/A LEU 44.A N ALA 212.A O no hydrogen 3.060 N/A VAL 45.A N VAL 34.A O no hydrogen 2.890 N/A ALA 46.A N SER 210.A O no hydrogen 2.900 N/A LEU 47.A N VAL 32.A O no hydrogen 3.247 N/A LYS 48.A N ASN 208.A O no hydrogen 2.723 N/A LYS 48.A NZ LEU 209.A O no hydrogen 3.423 N/A LYS 48.A NZ SER 210.A OG no hydrogen 2.926 N/A ARG 49.A NH1 GLN 29.A O no hydrogen 2.753 N/A ARG 49.A NH2 GLN 29.A O no hydrogen 2.995 N/A ALA 51.A N SER 55.A OG no hydrogen 3.365 N/A SER 55.A N ASP 52.A O no hydrogen 3.360 N/A SER 55.A OG SER 56.A O no hydrogen 2.939 N/A GLN 58.A N ARG 49.A O no hydrogen 2.939 N/A LYS 60.A NZ SER 31.A O no hydrogen 2.932 N/A ILE 62.A N LEU 70.A O no hydrogen 2.880 N/A LYS 63.A NZ GLU 66.A OE2 no hydrogen 3.160 N/A CYS 64.A N MET 68.A O no hydrogen 2.884 N/A ASP 65.A N MET 68.A O no hydrogen 2.884 N/A GLU 66.A N ASP 65.A OD1 no hydrogen 2.572 N/A MET 68.A N ASP 65.A O no hydrogen 3.212 N/A GLY 69.A N ILE 133.A O no hydrogen 3.028 N/A LEU 70.A N ILE 62.A O no hydrogen 2.873 N/A SER 71.A N LEU 131.A O no hydrogen 2.870 N/A SER 71.A OG THR 33.A OG1 no hydrogen 2.819 N/A LEU 72.A N LYS 60.A O no hydrogen 2.652 N/A ALA 73.A N GLY 129.A O no hydrogen 3.046 N/A LEU 75.A N GLY 127.A O no hydrogen 2.670 N/A ALA 79.A N ALA 76.A O no hydrogen 3.169 N/A ARG 80.A N ALA 76.A O no hydrogen 3.113 N/A VAL 81.A N PRO 77.A O no hydrogen 2.903 N/A LEU 82.A N ASP 78.A O no hydrogen 3.234 N/A SER 83.A N ALA 79.A O no hydrogen 2.889 N/A SER 83.A OG ALA 79.A O no hydrogen 2.610 N/A ASN 84.A N ARG 80.A O no hydrogen 3.098 N/A ASN 84.A ND2 ARG 80.A O no hydrogen 3.276 N/A TYR 85.A N VAL 81.A O no hydrogen 2.963 N/A LEU 86.A N LEU 82.A O no hydrogen 2.938 N/A ARG 87.A N SER 83.A O no hydrogen 2.578 N/A ARG 87.A NE LYS 63.A O no hydrogen 2.950 N/A ARG 87.A NH2 LYS 63.A O no hydrogen 2.970 N/A GLN 88.A N TYR 85.A O no hydrogen 2.976 N/A GLN 89.A N TYR 85.A O no hydrogen 3.068 N/A CYS 90.A N LEU 86.A O no hydrogen 3.279 N/A CYS 90.A SG LEU 86.A O no hydrogen 3.252 N/A ASN 91.A N ARG 87.A O no hydrogen 3.084 N/A TYR 92.A N GLN 88.A O no hydrogen 2.512 N/A SER 93.A N GLN 89.A O no hydrogen 3.052 N/A SER 93.A OG ARG 99.A O no hydrogen 2.385 N/A SER 94.A N CYS 90.A O no hydrogen 3.122 N/A SER 94.A OG ARG 99.A O no hydrogen 3.503 N/A LEU 95.A N ASN 91.A O no hydrogen 2.733 N/A VAL 96.A N TYR 92.A O no hydrogen 2.940 N/A PHE 97.A N SER 93.A O no hydrogen 3.073 N/A ARG 99.A N SER 93.A O no hydrogen 3.196 N/A VAL 103.A N ASP 136.A OD2 no hydrogen 3.143 N/A ALA 106.A N ALA 102.A O no hydrogen 3.047 N/A GLY 107.A N VAL 103.A O no hydrogen 3.167 N/A HIS 108.A N GLU 104.A O no hydrogen 3.104 N/A LEU 109.A N ARG 105.A O no hydrogen 3.027 N/A LEU 110.A N ALA 106.A O no hydrogen 3.045 N/A CYS 111.A N GLY 107.A O no hydrogen 3.012 N/A CYS 111.A SG ASP 112.A OD1 no hydrogen 3.904 N/A CYS 111.A SG GLY 149.A O no hydrogen 3.171 N/A ASP 112.A N HIS 108.A O no hydrogen 3.278 N/A LYS 113.A N LEU 109.A O no hydrogen 3.073 N/A LYS 113.A NZ TYR 126.A OH no hydrogen 3.458 N/A ALA 114.A N LEU 110.A O no hydrogen 2.980 N/A GLN 115.A N CYS 111.A O no hydrogen 2.912 N/A LYS 116.A N ASP 112.A O no hydrogen 3.394 N/A LYS 116.A N LYS 113.A O no hydrogen 3.266 N/A ASN 117.A N ALA 114.A O no hydrogen 3.263 N/A ASN 117.A ND2 LYS 113.A O no hydrogen 3.205 N/A THR 118.A N GLN 115.A O no hydrogen 2.953 N/A THR 118.A OG1 GLN 115.A O no hydrogen 2.760 N/A SER 120.A N LYS 116.A O no hydrogen 3.323 N/A SER 120.A OG LYS 116.A O no hydrogen 3.114 N/A ARG 124.A NH1 ASP 78.A OD2 no hydrogen 2.740 N/A ARG 124.A NH1 PRO 125.A O no hydrogen 3.189 N/A ARG 124.A NH2 ASP 78.A OD1 no hydrogen 2.789 N/A ARG 124.A NH2 ASP 78.A OD2 no hydrogen 3.545 N/A GLY 127.A N ASP 78.A OD2 no hydrogen 2.905 N/A GLY 129.A N ALA 73.A O no hydrogen 2.977 N/A LEU 130.A N PHE 145.A O no hydrogen 3.305 N/A LEU 131.A N SER 71.A O no hydrogen 2.956 N/A ILE 132.A N LEU 143.A O no hydrogen 3.071 N/A ILE 133.A N GLY 69.A O no hydrogen 3.000 N/A GLY 134.A N HIS 141.A O no hydrogen 3.152 N/A TYR 135.A N HIS 67.A O no hydrogen 3.104 N/A ASP 136.A N GLY 139.A O no hydrogen 2.932 N/A SER 138.A N ASP 136.A OD1 no hydrogen 2.745 N/A SER 138.A OG ASP 136.A OD1 no hydrogen 3.119 N/A SER 138.A OG HIS 141.A NE2 no hydrogen 2.877 N/A HIS 141.A N GLY 134.A O no hydrogen 2.952 N/A HIS 141.A ND1 GLU 153.A OE2 no hydrogen 2.405 N/A LEU 143.A N ILE 132.A O no hydrogen 2.716 N/A GLU 144.A N THR 152.A O no hydrogen 2.782 N/A PHE 145.A N LEU 130.A O no hydrogen 2.750 N/A GLN 146.A NE2 GLU 144.A OE2 no hydrogen 2.827 N/A SER 148.A OG GLN 146.A O no hydrogen 3.492 N/A GLY 149.A N GLN 146.A O no hydrogen 2.577 N/A ASN 150.A N SER 148.A OG no hydrogen 3.361 N/A ASN 150.A ND2 SER 148.A OG no hydrogen 2.810 N/A THR 152.A N GLU 144.A O no hydrogen 2.804 N/A LEU 154.A N LEU 142.A O no hydrogen 3.006 N/A THR 157.A N GLY 35.A O no hydrogen 2.717 N/A THR 157.A OG1 GLU 144.A OE1 no hydrogen 3.020 N/A THR 157.A OG1 ALA 158.A O no hydrogen 3.269 N/A ILE 159.A N THR 33.A O no hydrogen 3.120 N/A ALA 161.A N GLY 30.A O no hydrogen 2.931 N/A SER 163.A OG GLY 160.A O no hydrogen 3.002 N/A LYS 167.A N SER 163.A O no hydrogen 3.128 N/A THR 168.A N GLN 164.A O no hydrogen 3.201 N/A THR 168.A OG1 GLN 164.A O no hydrogen 2.624 N/A THR 168.A OG1 GLY 165.A O no hydrogen 2.912 N/A TYR 169.A N GLY 165.A O no hydrogen 2.813 N/A TYR 169.A OH GLU 193.A OE1 no hydrogen 2.901 N/A LEU 170.A N ALA 166.A O no hydrogen 2.900 N/A GLU 171.A N LYS 167.A O no hydrogen 2.683 N/A ARG 172.A N THR 168.A O no hydrogen 3.171 N/A ARG 172.A N TYR 169.A O no hydrogen 3.013 N/A THR 173.A N TYR 169.A O no hydrogen 2.799 N/A THR 173.A OG1 TYR 169.A O no hydrogen 2.845 N/A LEU 174.A N LEU 170.A O no hydrogen 2.568 N/A THR 176.A N THR 173.A O no hydrogen 2.631 N/A THR 176.A OG1 THR 173.A O no hydrogen 3.350 N/A ILE 178.A N LEU 174.A O no hydrogen 3.092 N/A LYS 179.A N THR 176.A O no hydrogen 3.354 N/A LYS 179.A NZ ASP 175.A O no hydrogen 3.301 N/A ILE 180.A N PHE 177.A O no hydrogen 2.689 N/A GLY 182.A N THR 40.A OG1 no hydrogen 3.021 N/A ASN 183.A N ASP 181.A O no hydrogen 2.207 N/A ILE 188.A N PRO 184.A O no hydrogen 2.928 N/A LYS 189.A N ASP 185.A O no hydrogen 3.194 N/A ALA 190.A N GLU 186.A O no hydrogen 2.933 N/A GLY 191.A N LEU 187.A O no hydrogen 3.090 N/A GLY 191.A N ILE 188.A O no hydrogen 3.139 N/A VAL 192.A N ILE 188.A O no hydrogen 2.960 N/A GLU 193.A N LYS 189.A O no hydrogen 2.903 N/A ALA 194.A N ALA 190.A O no hydrogen 3.197 N/A ILE 195.A N GLY 191.A O no hydrogen 2.813 N/A SER 196.A OG VAL 192.A O no hydrogen 2.910 N/A GLN 197.A N ALA 194.A O no hydrogen 3.380 N/A SER 198.A N ILE 195.A O no hydrogen 3.022 N/A SER 198.A OG ARG 162.A O no hydrogen 2.850 N/A LEU 199.A N SER 196.A O no hydrogen 3.154 N/A ASP 201.A N ASP 201.A OD2 no hydrogen 2.556 N/A ASP 207.A N THR 205.A OG1 no hydrogen 2.760 N/A ASN 208.A N THR 205.A OG1 no hydrogen 3.362 N/A ASN 208.A ND2 SER 203.A O no hydrogen 3.464 N/A SER 210.A N ALA 46.A O no hydrogen 3.099 N/A SER 210.A OG ASP 224.A OD1 no hydrogen 2.386 N/A ILE 211.A N TYR 223.A O no hydrogen 3.034 N/A ALA 212.A N LEU 44.A O no hydrogen 2.851 N/A ILE 213.A N THR 221.A O no hydrogen 2.957 N/A VAL 214.A N ALA 42.A O no hydrogen 3.240 N/A GLY 215.A N THR 218.A O no hydrogen 2.700 N/A LYS 216.A N THR 40.A O no hydrogen 3.074 N/A THR 218.A N GLY 215.A O no hydrogen 2.816 N/A THR 218.A OG1 HIS 41.A NE2 no hydrogen 3.249 N/A PHE 220.A N GLU 66.A O no hydrogen 2.826 N/A THR 221.A N ILE 213.A O no hydrogen 2.764 N/A THR 221.A OG1 PRO 219.A O no hydrogen 2.614 N/A TYR 223.A N ILE 211.A O no hydrogen 2.736 N/A VAL 228.A N GLY 225.A O no hydrogen 2.555 N/A TYR 231.A N VAL 228.A O no hydrogen 2.669 N/A TYR 231.A OH ASP 185.A OD1 no hydrogen 2.535 N/A ILE 232.A N ALA 229.A O no hydrogen 2.987 N/A