Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4q5q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A NE2 ASP 27.A O no hydrogen 3.238 N/A ILE 4.A N ILE 64.A O no hydrogen 2.867 N/A LEU 5.A N VAL 29.A O no hydrogen 2.834 N/A GLY 6.A N TYR 62.A O no hydrogen 2.993 N/A TYR 7.A N LYS 31.A O no hydrogen 2.992 N/A ARG 11.A N THR 205.A O no hydrogen 2.887 N/A ARG 11.A NE GLU 162.A OE1 no hydrogen 2.713 N/A ARG 11.A NH1 TYR 217.A O no hydrogen 3.069 N/A ARG 11.A NH2 GLU 162.A OE1 no hydrogen 3.527 N/A ARG 11.A NH2 GLU 162.A OE2 no hydrogen 2.592 N/A GLY 12.A N PHE 206.A O no hydrogen 2.786 N/A TYR 13.A N TYR 7.A OH no hydrogen 3.014 N/A ALA 14.A N ARG 11.A O no hydrogen 3.195 N/A GLN 15.A N ARG 11.A O no hydrogen 3.041 N/A ARG 18.A N ALA 14.A O no hydrogen 2.926 N/A ARG 18.A NE ASP 30.A OD1 no hydrogen 2.931 N/A ARG 18.A NH1 TRP 8.A O no hydrogen 3.091 N/A ARG 18.A NH2 ILE 10.A O no hydrogen 2.840 N/A ARG 18.A NH2 GLN 15.A OE1 no hydrogen 2.977 N/A LEU 19.A N GLN 15.A O no hydrogen 2.926 N/A LEU 20.A N.A PRO 16.A O no hydrogen 2.920 N/A LEU 20.A N.B PRO 16.A O no hydrogen 2.933 N/A LEU 21.A N ILE 17.A O no hydrogen 2.911 N/A THR 22.A N ARG 18.A O no hydrogen 2.993 N/A THR 22.A OG1 ARG 18.A O no hydrogen 2.740 N/A TYR 23.A N LEU 19.A O no hydrogen 2.877 N/A SER 24.A N LEU 20.A O.A no hydrogen 2.946 N/A SER 24.A N LEU 20.A O.B no hydrogen 2.843 N/A SER 24.A OG LEU 20.A O.A no hydrogen 3.141 N/A SER 24.A OG LEU 20.A O.B no hydrogen 3.253 N/A GLY 25.A N LEU 21.A O no hydrogen 2.983 N/A GLY 25.A N THR 22.A O no hydrogen 3.064 N/A VAL 26.A N LEU 21.A O no hydrogen 2.911 N/A VAL 29.A N PRO 3.A O no hydrogen 2.735 N/A LYS 31.A N LEU 5.A O no hydrogen 2.744 N/A LYS 31.A NZ GLU 45.A OE2 no hydrogen 2.872 N/A ARG 32.A NE ASP 30.A OD2 no hydrogen 3.127 N/A ARG 32.A NH1 ASP 9.A OD1 no hydrogen 2.944 N/A ARG 32.A NH2 ASP 30.A OD2 no hydrogen 3.027 N/A TYR 33.A N TYR 7.A O no hydrogen 2.750 N/A TYR 33.A OH GLU 49.A OE2 no hydrogen 2.516 N/A TYR 33.A OH TYR 62.A OH no hydrogen 2.590 N/A GLN 34.A N GLU 45.A OE1 no hydrogen 2.743 N/A GLN 34.A NE2 ASP 9.A OD2 no hydrogen 3.412 N/A GLY 36.A N ASP 42.A O no hydrogen 2.717 N/A PHE 41.A N PRO 37.A O no hydrogen 3.039 N/A SER 44.A N ASP 42.A OD2 no hydrogen 3.069 N/A SER 44.A OG ASP 42.A OD2 no hydrogen 2.491 N/A TRP 46.A N ARG 43.A O no hydrogen 3.134 N/A LEU 47.A N ARG 43.A O no hydrogen 3.064 N/A ASN 48.A N SER 44.A O no hydrogen 2.829 N/A GLU 49.A N TRP 46.A O no hydrogen 3.008 N/A ASN 52.A N GLU 49.A O no hydrogen 3.002 N/A LEU 60.A N ASN 59.A OD1 no hydrogen 2.774 N/A TYR 62.A N GLY 6.A O no hydrogen 3.082 N/A TYR 62.A OH TYR 33.A OH no hydrogen 2.590 N/A TYR 63.A N MET 70.A O no hydrogen 2.888 N/A ILE 64.A N ILE 4.A O no hydrogen 2.945 N/A ASP 65.A N MET 68.A O no hydrogen 2.704 N/A MET 68.A N ASP 65.A O no hydrogen 2.957 N/A LYS 69.A NZ GLY 66.A O no hydrogen 2.977 N/A MET 70.A N TYR 63.A O no hydrogen 2.943 N/A THR 71.A OG1 PHE 57.A O no hydrogen 2.890 N/A ILE 76.A N GLN 72.A O no hydrogen 2.985 N/A LEU 77.A N THR 73.A O no hydrogen 2.948 N/A ARG 78.A N PHE 74.A O no hydrogen 2.902 N/A ARG 78.A NE GLU 101.A OE1 no hydrogen 3.011 N/A ARG 78.A NH2 GLU 101.A OE2 no hydrogen 2.733 N/A TYR 79.A N ALA 75.A O no hydrogen 2.993 N/A TYR 79.A OH ASP 65.A OD2 no hydrogen 2.609 N/A LEU 80.A N ILE 76.A O no hydrogen 2.986 N/A GLY 81.A N LEU 77.A O no hydrogen 2.834 N/A ARG 82.A N ARG 78.A O no hydrogen 2.900 N/A LYS 83.A N TYR 79.A O no hydrogen 2.849 N/A TYR 84.A N LEU 80.A O no hydrogen 2.866 N/A LYS 85.A N ARG 82.A O no hydrogen 3.427 N/A LEU 86.A N GLY 81.A O no hydrogen 2.699 N/A SER 89.A N GLU 93.A OE1 no hydrogen 2.840 N/A SER 89.A OG GLU 93.A OE1 no hydrogen 3.429 N/A GLU 93.A N ASN 90.A OD1 no hydrogen 2.881 N/A GLU 94.A N ASN 90.A O no hydrogen 3.075 N/A ILE 95.A N ASP 91.A O no hydrogen 2.938 N/A ARG 96.A N HIS 92.A O no hydrogen 3.208 N/A ARG 96.A NE ILE 148.A O no hydrogen 2.793 N/A ARG 96.A NH2 PHE 141.A O no hydrogen 2.900 N/A ARG 96.A NH2 ILE 148.A O no hydrogen 3.052 N/A ILE 97.A N GLU 93.A O no hydrogen 2.846 N/A SER 98.A N GLU 94.A O no hydrogen 2.913 N/A SER 98.A OG GLU 94.A O no hydrogen 2.860 N/A SER 98.A OG ILE 95.A O no hydrogen 3.109 N/A MET 99.A N ILE 95.A O no hydrogen 2.994 N/A ALA 100.A N ARG 96.A O no hydrogen 2.923 N/A GLU 101.A N ILE 97.A O no hydrogen 2.926 N/A GLN 102.A N SER 98.A O no hydrogen 3.194 N/A GLN 102.A NE2 GLU 101.A OE2 no hydrogen 2.927 N/A GLN 103.A N MET 99.A O no hydrogen 2.860 N/A THR 104.A N ALA 100.A O no hydrogen 2.888 N/A THR 104.A OG1 ALA 100.A O no hydrogen 2.651 N/A GLU 105.A N GLU 101.A O no hydrogen 3.005 N/A ASP 106.A N GLN 102.A O no hydrogen 3.111 N/A MET 107.A N GLN 103.A O no hydrogen 3.053 N/A MET 108.A N THR 104.A O no hydrogen 2.752 N/A ALA 109.A N GLU 105.A O no hydrogen 2.810 N/A ALA 110.A N ASP 106.A O no hydrogen 2.865 N/A MET 111.A N MET 107.A O no hydrogen 3.305 N/A ILE 112.A N MET 108.A O no hydrogen 2.945 N/A ARG 113.A N ALA 109.A O no hydrogen 2.905 N/A CYS 115.A N MET 111.A O no hydrogen 3.067 N/A CYS 115.A SG MET 111.A O no hydrogen 3.086 N/A CYS 115.A SG TRP 213.A O no hydrogen 3.425 N/A TYR 116.A N ILE 112.A O no hydrogen 3.181 N/A ASP 117.A N VAL 114.A O no hydrogen 3.244 N/A ASN 119.A N ASP 117.A OD1 no hydrogen 2.931 N/A CYS 120.A N ASP 117.A O no hydrogen 2.975 N/A CYS 120.A SG VAL 114.A O no hydrogen 3.224 N/A LYS 122.A N ASN 119.A O no hydrogen 2.963 N/A LEU 123.A N CYS 120.A O no hydrogen 2.946 N/A LYS 124.A N CYS 120.A O no hydrogen 3.101 N/A TYR 127.A N LEU 123.A O no hydrogen 3.221 N/A LEU 128.A N LYS 124.A O no hydrogen 2.714 N/A LYS 129.A N PRO 125.A O no hydrogen 2.983 N/A SER 130.A N ASP 126.A O no hydrogen 3.159 N/A SER 130.A N TYR 127.A O no hydrogen 3.096 N/A SER 130.A OG ASP 126.A O no hydrogen 3.271 N/A CYS 134.A N SER 130.A O no hydrogen 3.344 N/A LEU 135.A N LEU 131.A O no hydrogen 2.837 N/A LYS 136.A N PRO 132.A O no hydrogen 3.007 N/A LEU 137.A N ASP 133.A O no hydrogen 3.332 N/A LEU 137.A N CYS 134.A O no hydrogen 3.235 N/A SER 139.A N LEU 135.A O no hydrogen 2.880 N/A SER 139.A OG ASN 180.A OD1 no hydrogen 2.775 N/A LYS 140.A N LYS 136.A O no hydrogen 3.013 N/A PHE 141.A N LEU 137.A O no hydrogen 3.025 N/A VAL 142.A N MET 138.A O no hydrogen 2.904 N/A GLY 143.A N SER 139.A O no hydrogen 2.941 N/A GLU 144.A N.B GLU 144.A OE1.B no hydrogen 2.392 N/A HIS 145.A N VAL 142.A O no hydrogen 3.197 N/A PHE 147.A N GLY 150.A O no hydrogen 2.908 N/A ILE 148.A N ASP 157.A OD1 no hydrogen 2.937 N/A GLY 150.A N PHE 147.A O no hydrogen 3.030 N/A SER 154.A N ASP 157.A OD2 no hydrogen 2.817 N/A SER 154.A OG ASP 157.A OD2 no hydrogen 3.402 N/A TYR 155.A N LEU 86.A O no hydrogen 2.884 N/A TYR 155.A OH GLU 101.A OE1 no hydrogen 2.653 N/A ASP 157.A N SER 154.A O no hydrogen 3.181 N/A PHE 158.A N TYR 155.A O no hydrogen 3.133 N/A LEU 160.A N VAL 156.A O no hydrogen 2.991 N/A TYR 161.A N ASP 157.A O no hydrogen 2.976 N/A TYR 161.A OH GLU 189.A OE2 no hydrogen 2.696 N/A GLU 162.A N PHE 158.A O no hydrogen 3.131 N/A TYR 163.A N ASN 159.A O no hydrogen 3.027 N/A LEU 164.A N LEU 160.A O no hydrogen 2.798 N/A CYS 165.A N TYR 161.A O no hydrogen 2.912 N/A CYS 165.A SG TYR 161.A O no hydrogen 3.322 N/A HIS 166.A N GLU 162.A O no hydrogen 3.340 N/A HIS 166.A ND1 GLU 162.A O no hydrogen 2.891 N/A VAL 167.A N TYR 163.A O no hydrogen 3.342 N/A LYS 168.A N LEU 164.A O no hydrogen 2.832 N/A LYS 168.A NZ TYR 217.A OH no hydrogen 2.910 N/A VAL 169.A N CYS 165.A O no hydrogen 2.990 N/A MET 170.A N HIS 166.A O no hydrogen 2.844 N/A VAL 171.A N VAL 167.A O no hydrogen 2.721 N/A VAL 174.A N VAL 171.A O no hydrogen 3.127 N/A PHE 175.A N VAL 171.A O no hydrogen 3.182 N/A GLY 176.A N PRO 172.A O no hydrogen 2.890 N/A GLN 177.A N VAL 174.A O no hydrogen 3.039 N/A GLN 177.A NE2 GLU 173.A O no hydrogen 3.243 N/A PHE 178.A N PHE 175.A O no hydrogen 3.306 N/A ASN 180.A ND2 SER 139.A O no hydrogen 2.657 N/A ASN 180.A ND2 GLY 143.A O no hydrogen 3.036 N/A LYS 182.A N PHE 178.A O no hydrogen 3.096 N/A LYS 182.A NZ GLY 176.A O no hydrogen 3.525 N/A ARG 183.A N GLU 179.A O no hydrogen 3.026 N/A ARG 183.A NE GLU 186.A OE1 no hydrogen 2.858 N/A ARG 183.A NH1 GLU 179.A OE2 no hydrogen 3.016 N/A ARG 183.A NH2 GLU 186.A OE1 no hydrogen 2.955 N/A ARG 183.A NH2 GLU 186.A OE2 no hydrogen 3.226 N/A TYR 184.A N ASN 180.A O no hydrogen 2.868 N/A TYR 184.A OH ASP 157.A O no hydrogen 3.352 N/A TYR 184.A OH ASP 157.A OD1 no hydrogen 2.612 N/A VAL 185.A N LEU 181.A O no hydrogen 3.076 N/A GLU 186.A N LYS 182.A O no hydrogen 3.199 N/A ARG 187.A N ARG 183.A O no hydrogen 2.869 N/A ARG 187.A NH1 ALA 146.A O no hydrogen 2.713 N/A MET 188.A N TYR 184.A O no hydrogen 2.933 N/A GLU 189.A N VAL 185.A O no hydrogen 3.002 N/A SER 190.A N ARG 187.A O no hydrogen 3.185 N/A SER 190.A OG GLU 186.A O no hydrogen 2.854 N/A LEU 191.A N MET 188.A O no hydrogen 3.242 N/A ARG 193.A NE TYR 23.A O no hydrogen 2.718 N/A ARG 193.A NH2 TYR 23.A O no hydrogen 3.065 N/A VAL 194.A N PRO 192.A O no hydrogen 2.723 N/A SER 195.A N LEU 191.A O no hydrogen 2.883 N/A SER 195.A OG GLU 189.A O no hydrogen 3.546 N/A TYR 197.A N ARG 193.A O no hydrogen 3.150 N/A ILE 198.A N VAL 194.A O no hydrogen 2.979 N/A LYS 199.A N SER 195.A O no hydrogen 3.312 N/A LYS 200.A N ASP 196.A O no hydrogen 3.220 N/A LYS 200.A N TYR 197.A O no hydrogen 2.944 N/A LYS 200.A NZ ASP 196.A OD2 no hydrogen 2.735 N/A GLN 201.A N ILE 198.A O no hydrogen 3.116 N/A GLN 201.A NE2 TYR 197.A O no hydrogen 2.908 N/A LYS 204.A N TYR 217.A O no hydrogen 2.939 N/A LYS 204.A NZ ASP 9.A OD1 no hydrogen 3.291 N/A LYS 204.A NZ ASP 9.A OD2 no hydrogen 3.001 N/A THR 205.A OG1 ASN 207.A O no hydrogen 2.676 N/A PHE 206.A N ALA 215.A O no hydrogen 2.922 N/A ASN 207.A N ASN 214.A OD1 no hydrogen 3.088 N/A ASN 207.A ND2 TRP 213.A O no hydrogen 3.042 N/A ALA 208.A N TYR 116.A OH no hydrogen 2.846 N/A SER 211.A N ALA 208.A O no hydrogen 2.940 N/A SER 211.A OG ALA 208.A O no hydrogen 2.940 N/A SER 211.A OG TRP 213.A O no hydrogen 3.546 N/A LYS 212.A N CYS 115.A O no hydrogen 2.628 N/A TRP 213.A N CYS 115.A O no hydrogen 3.135 N/A ASN 214.A ND2 ASN 207.A O no hydrogen 3.011 N/A ALA 215.A N ASN 214.A OD1 no hydrogen 2.834 N/A TYR 217.A N LYS 204.A O no hydrogen 3.028 N/A TYR 217.A OH GLU 189.A OE2 no hydrogen 2.522 N/A