Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3f5x_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A ND1 GLN 141.A OE1 no hydrogen 2.791 N/A ILE 6.A N TYR 2.A O no hydrogen 2.940 N/A HIS 7.A N HIS 3.A O no hydrogen 3.321 N/A THR 8.A N GLU 4.A O no hydrogen 2.897 N/A THR 8.A OG1 GLU 4.A O no hydrogen 3.084 N/A TYR 9.A N ASP 5.A O no hydrogen 2.860 N/A LEU 10.A N ILE 6.A O no hydrogen 2.883 N/A ARG 11.A N HIS 7.A O no hydrogen 2.903 N/A ARG 11.A NH1 THR 204.A O no hydrogen 2.983 N/A GLU 12.A N THR 8.A O no hydrogen 3.080 N/A MET 13.A N TYR 9.A O no hydrogen 3.012 N/A GLU 14.A N LEU 10.A O no hydrogen 3.003 N/A LYS 16.A N MET 13.A O no hydrogen 3.247 N/A CYS 17.A N MET 13.A O no hydrogen 3.106 N/A LYS 20.A N SER 68.A OG no hydrogen 3.034 N/A TYR 23.A N LYS 20.A O no hydrogen 3.371 N/A TYR 23.A OH ASP 64.A OD1 no hydrogen 2.928 N/A LYS 25.A N GLY 22.A O no hydrogen 3.322 N/A GLN 27.A N MET 24.A O no hydrogen 3.295 N/A GLN 27.A NE2 MET 70.A O no hydrogen 3.332 N/A ARG 35.A N THR 31.A O no hydrogen 3.086 N/A ARG 35.A NE ASP 64.A OD1 no hydrogen 2.864 N/A ARG 35.A NH1 LEU 165.A O no hydrogen 3.106 N/A ARG 35.A NH2 ASP 64.A OD1 no hydrogen 3.415 N/A ARG 35.A NH2 ASP 64.A OD2 no hydrogen 3.176 N/A ARG 35.A NH2 LEU 165.A O no hydrogen 3.118 N/A ALA 36.A N ASN 32.A O no hydrogen 2.774 N/A ILE 37.A N SER 33.A O no hydrogen 2.972 N/A LEU 38.A N MET 34.A O no hydrogen 3.076 N/A VAL 39.A N ARG 35.A O no hydrogen 2.898 N/A ASP 40.A N ALA 36.A O no hydrogen 3.024 N/A TRP 41.A N ILE 37.A O no hydrogen 2.999 N/A LEU 42.A N LEU 38.A O no hydrogen 3.000 N/A VAL 43.A N VAL 39.A O no hydrogen 3.044 N/A GLU 44.A N ASP 40.A O no hydrogen 3.360 N/A VAL 45.A N TRP 41.A O no hydrogen 3.079 N/A GLY 46.A N LEU 42.A O no hydrogen 3.001 N/A GLU 47.A N VAL 43.A O no hydrogen 3.024 N/A GLU 48.A N GLU 44.A O no hydrogen 2.748 N/A TYR 49.A N VAL 45.A O no hydrogen 3.024 N/A TYR 49.A OH GLU 101.A OE1 no hydrogen 3.232 N/A LYS 50.A N GLU 47.A O no hydrogen 3.321 N/A LEU 51.A N GLY 46.A O no hydrogen 2.727 N/A GLN 52.A N GLU 93.A OE2 no hydrogen 2.800 N/A ASN 53.A ND2 TYR 242.A OH no hydrogen 3.332 N/A THR 55.A OG1 GLU 93.A OE2 no hydrogen 2.689 N/A LEU 56.A N ASN 53.A O no hydrogen 2.975 N/A HIS 57.A N ASN 53.A O no hydrogen 3.185 N/A HIS 57.A ND1 ASN 53.A O no hydrogen 3.083 N/A LEU 58.A N GLU 54.A O no hydrogen 2.905 N/A ALA 59.A N THR 55.A O no hydrogen 3.062 N/A VAL 60.A N LEU 56.A O no hydrogen 3.151 N/A ASN 61.A N HIS 57.A O no hydrogen 3.114 N/A TYR 62.A N LEU 58.A O no hydrogen 2.899 N/A TYR 62.A OH LEU 130.A O no hydrogen 2.648 N/A ILE 63.A N ALA 59.A O no hydrogen 3.010 N/A ASP 64.A N VAL 60.A O no hydrogen 2.961 N/A ARG 65.A N ASN 61.A O no hydrogen 3.212 N/A ARG 65.A NH1 ASN 61.A OD1 no hydrogen 3.003 N/A ARG 65.A NH1 ASP 129.A O no hydrogen 3.057 N/A ARG 65.A NH2 ASP 129.A O no hydrogen 2.944 N/A PHE 66.A N TYR 62.A O no hydrogen 2.978 N/A LEU 67.A N ILE 63.A O no hydrogen 2.933 N/A SER 68.A N ARG 65.A O no hydrogen 3.322 N/A SER 68.A OG ASP 64.A O no hydrogen 2.664 N/A SER 69.A N PHE 66.A O no hydrogen 3.198 N/A VAL 72.A N GLN 27.A OE1 no hydrogen 2.760 N/A ARG 74.A N ASP 29.A OD2 no hydrogen 3.105 N/A LYS 76.A N LEU 73.A O no hydrogen 2.681 N/A LEU 77.A N LEU 73.A O no hydrogen 3.223 N/A LEU 77.A N ARG 74.A O no hydrogen 3.424 N/A VAL 80.A N LYS 76.A O no hydrogen 3.158 N/A GLY 81.A N LEU 77.A O no hydrogen 3.190 N/A THR 82.A N GLN 78.A O no hydrogen 2.886 N/A THR 82.A OG1 GLN 78.A O no hydrogen 2.747 N/A ALA 83.A N LEU 79.A O no hydrogen 3.134 N/A ALA 84.A N VAL 80.A O no hydrogen 2.905 N/A MET 85.A N GLY 81.A O no hydrogen 2.823 N/A LEU 86.A N THR 82.A O no hydrogen 2.842 N/A LEU 87.A N ALA 83.A O no hydrogen 2.928 N/A ALA 88.A N ALA 84.A O no hydrogen 2.897 N/A SER 89.A N MET 85.A O no hydrogen 2.859 N/A SER 89.A OG MET 85.A O no hydrogen 2.824 N/A LYS 90.A N LEU 86.A O no hydrogen 3.040 N/A LYS 90.A NZ GLU 119.A OE2 no hydrogen 2.802 N/A PHE 91.A N LEU 87.A O no hydrogen 2.988 N/A GLU 92.A N ALA 88.A O no hydrogen 2.898 N/A GLU 93.A N SER 89.A O no hydrogen 2.726 N/A GLU 101.A N GLU 98.A O no hydrogen 2.983 N/A VAL 103.A N VAL 99.A O no hydrogen 2.977 N/A TYR 104.A N ALA 100.A O no hydrogen 2.954 N/A ILE 105.A N GLU 101.A O no hydrogen 3.154 N/A THR 106.A N VAL 103.A O no hydrogen 3.354 N/A THR 106.A OG1 VAL 103.A O no hydrogen 2.829 N/A ASP 107.A N TYR 104.A O no hydrogen 3.040 N/A THR 109.A N THR 106.A O no hydrogen 3.079 N/A THR 109.A OG1 THR 106.A O no hydrogen 2.766 N/A TYR 110.A OH GLY 75.A O no hydrogen 2.525 N/A THR 111.A N GLN 114.A OE1 no hydrogen 2.915 N/A THR 111.A OG1 GLN 114.A OE1 no hydrogen 3.418 N/A VAL 115.A N THR 111.A O no hydrogen 3.097 N/A LEU 116.A N LYS 112.A O no hydrogen 2.956 N/A ARG 117.A N LYS 113.A O no hydrogen 2.813 N/A MET 118.A N GLN 114.A O no hydrogen 2.830 N/A GLU 119.A N VAL 115.A O no hydrogen 2.959 N/A HIS 120.A N LEU 116.A O no hydrogen 3.247 N/A LEU 121.A N ARG 117.A O no hydrogen 2.977 N/A VAL 122.A N MET 118.A O no hydrogen 2.890 N/A LEU 123.A N GLU 119.A O no hydrogen 3.039 N/A LYS 124.A N HIS 120.A O no hydrogen 2.982 N/A VAL 125.A N LEU 121.A O no hydrogen 2.834 N/A LEU 126.A N VAL 122.A O no hydrogen 2.891 N/A THR 127.A N LYS 124.A O no hydrogen 3.037 N/A THR 127.A OG1 LEU 126.A O no hydrogen 2.587 N/A THR 127.A OG1 ASP 129.A OD2 no hydrogen 2.670 N/A PHE 128.A N LEU 123.A O no hydrogen 2.958 N/A ASP 129.A N LEU 126.A O no hydrogen 3.106 N/A ALA 132.A N LEU 130.A O no hydrogen 2.908 N/A THR 134.A OG1 GLU 54.A OE1 no hydrogen 2.731 N/A THR 134.A OG1 GLU 54.A OE2 no hydrogen 3.569 N/A GLN 137.A N THR 134.A OG1 no hydrogen 3.168 N/A GLN 137.A NE2 GLU 54.A OE2 no hydrogen 2.470 N/A GLN 137.A NE2 ALA 132.A O no hydrogen 2.983 N/A PHE 138.A N THR 134.A O no hydrogen 3.286 N/A LEU 139.A N VAL 135.A O no hydrogen 2.868 N/A THR 140.A N ASN 136.A O no hydrogen 2.971 N/A THR 140.A OG1 ASN 136.A O no hydrogen 3.021 N/A GLN 141.A N GLN 137.A O no hydrogen 3.134 N/A TYR 142.A N PHE 138.A O no hydrogen 2.869 N/A TYR 142.A OH SER 177.A O no hydrogen 2.677 N/A PHE 143.A N LEU 139.A O no hydrogen 2.779 N/A HIS 145.A N TYR 142.A O no hydrogen 2.847 N/A HIS 145.A ND1 SER 199.A OG no hydrogen 3.239 N/A GLN 146.A N PHE 143.A O no hydrogen 3.240 N/A GLN 146.A NE2 ASN 150.A O no hydrogen 3.548 N/A LYS 152.A N ASN 150.A OD1 no hydrogen 2.975 N/A VAL 153.A N ASN 150.A OD1 no hydrogen 3.106 N/A GLU 154.A N ASN 150.A O no hydrogen 3.083 N/A SER 155.A N CYS 151.A O no hydrogen 2.986 N/A SER 155.A OG CYS 151.A O no hydrogen 2.774 N/A LEU 156.A N LYS 152.A O no hydrogen 3.037 N/A ALA 157.A N VAL 153.A O no hydrogen 2.892 N/A MET 158.A N GLU 154.A O no hydrogen 3.067 N/A PHE 159.A N SER 155.A O no hydrogen 2.956 N/A LEU 160.A N LEU 156.A O no hydrogen 2.941 N/A GLY 161.A N ALA 157.A O no hydrogen 2.993 N/A GLU 162.A N MET 158.A O no hydrogen 3.065 N/A LEU 163.A N PHE 159.A O no hydrogen 2.988 N/A SER 164.A N LEU 160.A O no hydrogen 3.102 N/A SER 164.A OG GLY 161.A O no hydrogen 2.528 N/A LEU 165.A N GLU 162.A O no hydrogen 3.212 N/A ILE 166.A N LEU 163.A O no hydrogen 3.100 N/A TYR 171.A N ASP 167.A O no hydrogen 3.316 N/A TYR 171.A OH THR 221.A OG1 no hydrogen 2.506 N/A LEU 172.A N ALA 168.A O no hydrogen 2.858 N/A LYS 173.A N PRO 170.A O no hydrogen 3.501 N/A TYR 174.A N TYR 171.A O no hydrogen 3.306 N/A TYR 174.A OH ASP 217.A OD2 no hydrogen 2.611 N/A SER 177.A N GLU 14.A OE1 no hydrogen 2.973 N/A SER 177.A OG GLU 14.A OE2 no hydrogen 2.616 N/A SER 177.A OG TYR 206.A OH no hydrogen 2.564 N/A VAL 178.A N LEU 175.A O no hydrogen 2.922 N/A ILE 179.A N LEU 175.A O no hydrogen 3.018 N/A ALA 180.A N PRO 176.A O no hydrogen 2.836 N/A GLY 181.A N SER 177.A O no hydrogen 3.126 N/A ALA 182.A N VAL 178.A O no hydrogen 2.967 N/A ALA 183.A N ILE 179.A O no hydrogen 2.860 N/A PHE 184.A N ALA 180.A O no hydrogen 2.875 N/A HIS 185.A N GLY 181.A O no hydrogen 3.116 N/A LEU 186.A N ALA 182.A O no hydrogen 2.917 N/A ALA 187.A N ALA 183.A O no hydrogen 3.003 N/A LEU 188.A N PHE 184.A O no hydrogen 2.851 N/A TYR 189.A N HIS 185.A O no hydrogen 2.798 N/A THR 190.A N LEU 186.A O no hydrogen 2.939 N/A THR 190.A OG1 LEU 186.A O no hydrogen 2.820 N/A VAL 191.A N ALA 187.A O no hydrogen 2.978 N/A THR 192.A N LEU 188.A O no hydrogen 2.989 N/A THR 192.A OG1 LEU 188.A O no hydrogen 3.058 N/A THR 192.A OG1 GLN 194.A OE1 no hydrogen 3.239 N/A GLY 193.A N TYR 189.A O no hydrogen 2.966 N/A GLN 194.A N THR 192.A OG1 no hydrogen 3.271 N/A TRP 196.A N HIS 185.A ND1 no hydrogen 3.047 N/A TRP 196.A NE1 TYR 206.A O no hydrogen 2.977 N/A SER 199.A OG HIS 145.A ND1 no hydrogen 3.239 N/A SER 199.A OG GLN 147.A OE1 no hydrogen 3.340 N/A LEU 200.A N PRO 197.A O no hydrogen 3.121 N/A ILE 201.A N PRO 197.A O no hydrogen 3.100 N/A ARG 202.A N GLU 198.A O no hydrogen 3.072 N/A LYS 203.A N SER 199.A O no hydrogen 3.073 N/A THR 204.A N LEU 200.A O no hydrogen 2.802 N/A THR 204.A OG1 LEU 200.A O no hydrogen 2.566 N/A GLY 205.A N ILE 201.A O no hydrogen 2.724 N/A TYR 206.A N THR 204.A OG1 no hydrogen 3.178 N/A TYR 206.A OH SER 177.A OG no hydrogen 2.564 N/A SER 210.A N THR 207.A OG1 no hydrogen 2.838 N/A SER 210.A OG THR 207.A O no hydrogen 2.977 N/A LEU 211.A N THR 207.A O no hydrogen 3.143 N/A LYS 212.A N GLU 209.A O no hydrogen 3.170 N/A LEU 215.A N LEU 211.A O no hydrogen 2.819 N/A MET 216.A N LYS 212.A O no hydrogen 2.757 N/A ASP 217.A N PRO 213.A O no hydrogen 3.267 N/A LEU 218.A N CYS 214.A O no hydrogen 2.840 N/A HIS 219.A N LEU 215.A O no hydrogen 2.764 N/A HIS 219.A NE2 PRO 251.A O no hydrogen 2.700 N/A GLN 220.A N MET 216.A O no hydrogen 3.209 N/A THR 221.A N ASP 217.A O no hydrogen 2.875 N/A THR 221.A OG1 TYR 171.A OH no hydrogen 2.506 N/A THR 221.A OG1 ASP 217.A O no hydrogen 3.043 N/A TYR 222.A N LEU 218.A O no hydrogen 2.859 N/A TYR 222.A OH LEU 248.A O no hydrogen 3.381 N/A LEU 223.A N HIS 219.A O no hydrogen 2.989 N/A LYS 224.A N GLN 220.A O no hydrogen 3.108 N/A ALA 225.A N TYR 222.A O no hydrogen 3.366 N/A GLN 227.A N LYS 224.A O no hydrogen 2.852 N/A HIS 228.A N ALA 225.A O no hydrogen 3.255 N/A GLN 231.A NE2 HIS 228.A O no hydrogen 2.449 N/A SER 232.A N ASP 40.A OD1 no hydrogen 2.914 N/A SER 232.A OG ASP 40.A O no hydrogen 3.253 N/A SER 232.A OG ASP 40.A OD1 no hydrogen 3.268 N/A SER 232.A OG ASP 40.A OD2 no hydrogen 2.701 N/A SER 232.A OG GLU 44.A OE2 no hydrogen 3.201 N/A ARG 234.A NH1 GLN 231.A OE1 no hydrogen 3.529 N/A GLU 235.A N GLN 231.A O no hydrogen 3.054 N/A LYS 236.A N SER 232.A O no hydrogen 2.993 N/A LYS 236.A NZ ASN 53.A OD1 no hydrogen 2.720 N/A LYS 236.A NZ GLU 162.A OE1 no hydrogen 3.543 N/A LYS 236.A NZ GLU 162.A OE2 no hydrogen 2.600 N/A TYR 237.A N ILE 233.A O no hydrogen 2.922 N/A TYR 237.A OH GLU 162.A OE1 no hydrogen 2.551 N/A LYS 238.A N GLU 235.A O no hydrogen 3.299 N/A LYS 238.A NZ GLU 235.A OE2 no hydrogen 2.519 N/A ASN 239.A N LYS 236.A O no hydrogen 3.368 N/A LYS 241.A N ASN 239.A OD1 no hydrogen 2.860 N/A LYS 241.A NZ TYR 242.A OH no hydrogen 3.378 N/A TYR 242.A N ASN 239.A O no hydrogen 3.145 N/A HIS 243.A N SER 240.A O no hydrogen 2.963 N/A GLY 244.A N ASN 239.A O no hydrogen 2.953 N/A VAL 245.A N TYR 242.A O no hydrogen 3.185 N/A SER 246.A N TYR 237.A O no hydrogen 3.268 N/A SER 246.A OG ARG 234.A O no hydrogen 2.731 N/A LEU 247.A N GLY 244.A O no hydrogen 3.043 N/A LEU 248.A N VAL 245.A O no hydrogen 3.223 N/A