Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ptu_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A N SER 24.A O no hydrogen 2.878 N/A VAL 4.A N ALA 22.A O no hydrogen 2.827 N/A SER 6.A N SER 20.A O no hydrogen 2.895 N/A GLY 8.A N THR 18.A O no hydrogen 3.143 N/A GLY 9.A N MET 119.A O no hydrogen 3.137 N/A VAL 11.A N THR 121.A O no hydrogen 2.943 N/A GLN 12.A NE2 SER 124.A O no hydrogen 3.317 N/A GLN 12.A NE2 ALA 125.A O no hydrogen 3.092 N/A GLY 14.A N LEU 85C.A O no hydrogen 2.714 N/A ARG 15.A N GLN 12.A O no hydrogen 3.197 N/A SER 16.A OG ASP 83A.A OD1 no hydrogen 2.717 N/A LEU 17.A N MET 82.A O no hydrogen 2.952 N/A THR 18.A OG1 GLN 81.A OE1 no hydrogen 2.555 N/A LEU 19.A N LEU 80.A O no hydrogen 2.897 N/A SER 20.A N SER 6.A O no hydrogen 2.987 N/A CYS 21.A N LEU 78.A O no hydrogen 2.814 N/A CYS 21.A SG SER 20.A O no hydrogen 3.376 N/A ALA 22.A N VAL 4.A O no hydrogen 2.906 N/A ALA 23.A N ASN 76.A O no hydrogen 3.007 N/A SER 24.A N GLN 2.A O no hydrogen 2.951 N/A SER 30.A N THR 27.A O no hydrogen 3.117 N/A HIS 31.A N PHE 28.A O no hydrogen 3.145 N/A MET 33.A N ILE 50.A O no hydrogen 3.005 N/A HIS 34.A N ALA 96.A O no hydrogen 2.811 N/A HIS 34.A NE2 GLU 98.A OE2 no hydrogen 2.750 N/A TRP 35.A N ALA 48.A O no hydrogen 2.973 N/A VAL 36.A N TYR 94.A O no hydrogen 2.842 N/A ARG 37.A N GLU 45.A O no hydrogen 2.851 N/A ARG 37.A NE GLU 45.A OE1 no hydrogen 2.799 N/A ARG 37.A NH1 ASP 89.A OD1 no hydrogen 2.924 N/A ARG 37.A NH1 TYR 93.A OH no hydrogen 2.943 N/A ARG 37.A NH2 GLU 45.A OE1 no hydrogen 3.021 N/A GLN 38.A N VAL 92.A O no hydrogen 2.800 N/A GLN 38.A NE2 LYS 42.A O no hydrogen 2.972 N/A LYS 42.A N ALA 39.A O no hydrogen 3.048 N/A GLU 45.A N ARG 37.A O no hydrogen 2.817 N/A TRP 46.A NE1 HIS 34.A ND1 no hydrogen 2.865 N/A VAL 47.A N TRP 35.A O no hydrogen 2.868 N/A ALA 48.A N TRP 35.A O no hydrogen 3.314 N/A VAL 49.A N TYR 58.A O no hydrogen 2.922 N/A ILE 50.A N MET 33.A O no hydrogen 2.901 N/A ALA 51.A N VAL 56.A O no hydrogen 2.977 N/A GLY 54.A N ALA 51.A O no hydrogen 2.840 N/A TYR 58.A N VAL 49.A O no hydrogen 3.045 N/A ALA 60.A N VAL 47.A O no hydrogen 2.911 N/A SER 62.A OG GLU 45.A OE2 no hydrogen 3.155 N/A VAL 63.A N ALA 60.A O no hydrogen 3.031 N/A LYS 64.A N ALA 60.A O no hydrogen 3.007 N/A ARG 66.A N VAL 63.A O no hydrogen 2.968 N/A ARG 66.A NH1 SER 62.A O no hydrogen 2.831 N/A ARG 66.A NH1 ASP 89.A OD1 no hydrogen 3.085 N/A ARG 66.A NH1 ASP 89.A OD2 no hydrogen 3.410 N/A ARG 66.A NH2 ASP 89.A OD2 no hydrogen 2.723 N/A ARG 66.A NH2 SER 84B.A O no hydrogen 2.933 N/A PHE 67.A N VAL 63.A O no hydrogen 3.023 N/A THR 68.A N GLN 81.A O no hydrogen 2.791 N/A ILE 69.A N TYR 59.A OH no hydrogen 2.851 N/A SER 70.A N SER 79.A O no hydrogen 3.155 N/A ARG 71.A NE ASN 73.A OD1 no hydrogen 2.883 N/A ARG 71.A NH1 HIS 31.A O no hydrogen 2.891 N/A ARG 71.A NH1 ILE 50.A O no hydrogen 3.560 N/A ARG 71.A NH1 ALA 51.A O no hydrogen 2.967 N/A ARG 71.A NH2 HIS 31.A O no hydrogen 3.025 N/A ARG 71.A NH2 ASN 73.A OD1 no hydrogen 3.524 N/A ASP 72.A N THR 77.A O no hydrogen 2.890 N/A ASN 73.A ND2 SER 52A.A O no hydrogen 2.984 N/A SER 74.A N ASP 72.A OD1 no hydrogen 2.849 N/A LYS 75.A N ASP 72.A OD1 no hydrogen 2.884 N/A THR 77.A N ASP 72.A O no hydrogen 3.081 N/A LEU 78.A N CYS 21.A O no hydrogen 2.794 N/A SER 79.A N SER 70.A O no hydrogen 2.869 N/A SER 79.A OG.B LEU 19.A O no hydrogen 3.443 N/A LEU 80.A N LEU 19.A O no hydrogen 2.941 N/A GLN 81.A N THR 68.A O no hydrogen 2.807 N/A GLN 81.A NE2 ASP 83A.A OD1 no hydrogen 2.926 N/A MET 82.A N LEU 17.A O no hydrogen 2.810 N/A ARG 86.A N ASP 89.A OD2 no hydrogen 2.827 N/A GLU 88.A N GLU 88.A OE1 no hydrogen 2.834 N/A ASP 89.A N ARG 86.A O no hydrogen 2.914 N/A THR 90.A N ALA 87.A O no hydrogen 2.983 N/A THR 90.A OG1 ALA 87.A O no hydrogen 2.837 N/A ALA 91.A N VAL 120.A O no hydrogen 2.979 N/A VAL 92.A N GLN 38.A O no hydrogen 2.982 N/A TYR 93.A N THR 118.A O no hydrogen 2.876 N/A TYR 93.A OH ASP 89.A O no hydrogen 2.656 N/A TYR 94.A N VAL 36.A O no hydrogen 2.751 N/A ALA 96.A N HIS 34.A O no hydrogen 2.851 N/A LYS 97.A N VAL 113.A O no hydrogen 2.875 N/A LYS 97.A NZ GLU 98.A O no hydrogen 2.874 N/A LYS 97.A NZ ASP 100.A OD1 no hydrogen 2.781 N/A LYS 97.A NZ ASP 112.A OD1 no hydrogen 3.172 N/A LYS 97.A NZ ASP 112.A OD2 no hydrogen 2.801 N/A GLU 98.A N GLY 32.A O no hydrogen 3.080 N/A SER 99.A N ALA 110G.A O no hydrogen 2.889 N/A SER 99.A OG SER 107D.A O no hydrogen 2.796 N/A SER 99.A OG ALA 110G.A O no hydrogen 3.266 N/A ASP 112.A N LYS 97.A O no hydrogen 3.171 N/A TRP 114.A NE1 PHE 111H.A O no hydrogen 3.002 N/A GLY 115.A N CYS 95.A O no hydrogen 2.848 N/A GLY 117.A N GLU 5.A OE1 no hydrogen 3.161 N/A THR 118.A N TYR 93.A O no hydrogen 2.953 N/A VAL 120.A N ALA 91.A O no hydrogen 2.937 N/A THR 121.A N GLY 9.A O no hydrogen 2.933 N/A VAL 122.A N THR 90.A OG1 no hydrogen 2.895 N/A SER 123.A N VAL 11.A O no hydrogen 2.972 N/A ALA 125.A N SER 123.A OG no hydrogen 2.991 N/A LYS 128.A N PHE 151.A O no hydrogen 2.898 N/A LYS 128.A NZ GLY 129.A O no hydrogen 3.190 N/A LYS 128.A NZ ASP 149.A O no hydrogen 2.909 N/A SER 131.A N LYS 148.A O no hydrogen 2.896 N/A PHE 133.A N LEU 146.A O no hydrogen 2.844 N/A LEU 135.A N GLY 144.A O no hydrogen 2.736 N/A ALA 141.A N VAL 189.A O no hydrogen 2.884 N/A LEU 143.A N VAL 187.A O no hydrogen 3.041 N/A GLY 144.A N LEU 135.A O no hydrogen 2.901 N/A CYS 145.A N SER 185.A O no hydrogen 2.746 N/A LEU 146.A N PHE 133.A O no hydrogen 2.795 N/A VAL 147.A N LEU 183.A O no hydrogen 2.758 N/A LYS 148.A N SER 131.A O no hydrogen 2.811 N/A LYS 148.A NZ ASP 149.A OD1 no hydrogen 3.236 N/A LYS 148.A NZ ASP 149.A OD2 no hydrogen 3.531 N/A LYS 148.A NZ GLN 176.A OE1 no hydrogen 2.984 N/A ASP 149.A N SER 182.A OG.B no hydrogen 3.117 N/A TYR 150.A N TYR 181.A O no hydrogen 3.082 N/A TYR 150.A OH GLU 153.A OE1 no hydrogen 2.817 N/A PHE 151.A N LYS 128.A O no hydrogen 2.914 N/A THR 156.A N ASN 204.A O no hydrogen 2.906 N/A THR 156.A OG1 ASN 204.A O no hydrogen 3.505 N/A SER 158.A N ASN 202.A O no hydrogen 2.971 N/A SER 158.A OG ASN 202.A OD1 no hydrogen 2.862 N/A TRP 159.A NE1 SER 185.A OG no hydrogen 2.935 N/A ASN 160.A N ILE 200.A O no hydrogen 2.812 N/A ASN 160.A ND2 THR 198.A O no hydrogen 3.098 N/A SER 161.A N ASN 202.A OD1 no hydrogen 2.780 N/A GLY 162.A N TRP 159.A O no hydrogen 2.954 N/A ALA 163.A N ASN 160.A O no hydrogen 2.954 N/A LEU 164.A N TRP 159.A O no hydrogen 3.266 N/A VAL 168.A N THR 165.A O no hydrogen 3.269 N/A HIS 169.A N VAL 186.A O no hydrogen 2.827 N/A THR 170.A OG1 SER 185.A OG no hydrogen 2.738 N/A PHE 171.A N SER 184.A O no hydrogen 3.007 N/A VAL 174.A N SER 182.A O no hydrogen 2.980 N/A GLN 176.A N LEU 180.A O no hydrogen 2.865 N/A GLN 176.A NE2 ASP 149.A OD1 no hydrogen 2.766 N/A GLN 176.A NE2 LEU 180.A O no hydrogen 3.129 N/A GLY 179.A N GLN 176.A O no hydrogen 2.897 N/A LEU 180.A N SER 178.A OG no hydrogen 3.172 N/A TYR 181.A N TYR 150.A O no hydrogen 2.805 N/A SER 182.A N VAL 174.A O no hydrogen 3.107 N/A SER 182.A OG.A VAL 147.A O no hydrogen 3.462 N/A SER 182.A OG.B TYR 181.A O no hydrogen 2.989 N/A LEU 183.A N VAL 147.A O no hydrogen 2.932 N/A SER 185.A N CYS 145.A O no hydrogen 2.874 N/A SER 185.A OG THR 170.A OG1 no hydrogen 2.738 N/A VAL 186.A N HIS 169.A O no hydrogen 2.852 N/A VAL 187.A N LEU 143.A O no hydrogen 2.860 N/A THR 188.A N GLY 167.A O no hydrogen 3.298 N/A VAL 189.A N ALA 141.A O no hydrogen 2.889 N/A SER 191.A N GLY 139.A O no hydrogen 2.793 N/A SER 193.A N PRO 190.A O no hydrogen 2.938 N/A SER 193.A OG PRO 190.A O no hydrogen 2.633 N/A SER 193.A OG TYR 199.A OH no hydrogen 2.612 N/A LEU 194.A N.A SER 191.A O no hydrogen 3.298 N/A THR 196.A N SER 193.A O no hydrogen 3.111 N/A THR 196.A OG1.B SER 193.A O no hydrogen 3.435 N/A GLN 197.A N SER 193.A O no hydrogen 2.794 N/A GLN 197.A NE2 THR 198.A O no hydrogen 3.057 N/A TYR 199.A OH SER 193.A OG no hydrogen 2.612 N/A ILE 200.A N ASN 160.A OD1 no hydrogen 2.814 N/A CYS 201.A N LYS 214.A O no hydrogen 2.907 N/A CYS 201.A SG.A LYS 214.A O no hydrogen 3.749 N/A CYS 201.A SG.B SER 158.A O no hydrogen 4.030 N/A ASN 202.A N SER 158.A O no hydrogen 2.792 N/A ASN 202.A ND2 ASP 213.A OD1 no hydrogen 2.888 N/A VAL 203.A N VAL 212.A O no hydrogen 2.715 N/A ASN 204.A N THR 156.A O no hydrogen 2.975 N/A HIS 205.A N THR 210.A O no hydrogen 2.787 N/A HIS 205.A ND1 SER 208.A OG no hydrogen 2.712 N/A HIS 205.A NE2 PRO 152.A O no hydrogen 2.734 N/A SER 208.A N HIS 205.A O no hydrogen 3.208 N/A SER 208.A OG HIS 205.A ND1 no hydrogen 2.712 N/A SER 208.A OG HIS 205.A O no hydrogen 3.339 N/A SER 208.A OG THR 210.A OG1 no hydrogen 2.651 N/A ASN 209.A N LYS 206.A O no hydrogen 2.913 N/A THR 210.A N HIS 205.A O no hydrogen 3.044 N/A THR 210.A OG1 SER 208.A O no hydrogen 3.555 N/A THR 210.A OG1 SER 208.A OG no hydrogen 2.651 N/A VAL 212.A N VAL 203.A O no hydrogen 2.804 N/A LYS 214.A N CYS 201.A O no hydrogen 2.962 N/A VAL 216.A N TYR 199.A O no hydrogen 2.884 N/A ASP 83A.A N ARG 66.A O no hydrogen 3.058 N/A LEU 85C.A N ARG 15.A O no hydrogen 3.074 N/A PHE 109F.A N SER 107D.A OG no hydrogen 3.147 N/A ALA 110G.A N SER 99.A OG no hydrogen 3.003 N/A