Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ggd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N ASN 169.A OD1 no hydrogen 2.833 N/A SER 4.A OG LYS 7.A O no hydrogen 3.503 N/A LYS 8.A NZ PRO 191.A O no hydrogen 2.662 N/A ASP 15.A N ASN 12.A OD1 no hydrogen 3.035 N/A ALA 16.A N ASN 12.A O no hydrogen 2.910 N/A TRP 17.A N VAL 13.A O no hydrogen 3.120 N/A GLU 18.A N ALA 14.A O no hydrogen 3.072 N/A GLN 19.A N ASP 15.A O no hydrogen 2.881 N/A TYR 20.A N ALA 16.A O no hydrogen 2.931 N/A TRP 21.A N TRP 17.A O no hydrogen 2.915 N/A ASN 22.A N GLU 18.A O no hydrogen 2.771 N/A ASN 22.A ND2 SER 87.A OG no hydrogen 2.850 N/A LYS 23.A N GLN 19.A O no hydrogen 2.985 N/A LYS 23.A NZ LEU 184.A O no hydrogen 2.787 N/A LYS 23.A NZ HIS 187.A NE2 no hydrogen 2.853 N/A THR 24.A N TYR 20.A O no hydrogen 2.898 N/A THR 24.A OG1 TYR 20.A O no hydrogen 2.823 N/A LEU 25.A N TRP 21.A O no hydrogen 2.765 N/A VAL 26.A N ASN 22.A O no hydrogen 2.850 N/A ASN 27.A N LYS 23.A O no hydrogen 2.970 N/A ASN 27.A ND2 LYS 23.A O no hydrogen 2.979 N/A SER 28.A N THR 24.A O no hydrogen 2.711 N/A ASP 34.A N VAL 31.A O no hydrogen 2.966 N/A ALA 35.A N TRP 33.A O no hydrogen 2.814 N/A ASN 36.A ND2 GLU 38.A OE1 no hydrogen 2.925 N/A GLU 38.A N GLU 38.A OE1 no hydrogen 2.836 N/A ARG 39.A N ASN 36.A O no hydrogen 2.940 N/A ARG 39.A NE ASN 36.A OD1 no hydrogen 2.912 N/A ARG 39.A NH1 GLN 217.A OE1 no hydrogen 2.788 N/A ARG 39.A NH1 SER 218.A O no hydrogen 2.959 N/A ARG 39.A NH2 SER 218.A O no hydrogen 3.145 N/A ALA 40.A N VAL 37.A O no hydrogen 2.929 N/A VAL 41.A N GLN 68.A OE1 no hydrogen 3.076 N/A VAL 42.A N VAL 37.A O no hydrogen 3.003 N/A VAL 43.A N ALA 40.A O no hydrogen 2.914 N/A ASP 44.A N ALA 40.A O no hydrogen 3.081 N/A LEU 45.A N VAL 41.A O no hydrogen 2.851 N/A ARG 47.A N ASP 44.A O no hydrogen 2.840 N/A ARG 47.A NH1 TYR 156.A OH no hydrogen 2.983 N/A PHE 48.A N LEU 45.A O no hydrogen 3.102 N/A GLU 49.A N LEU 45.A O no hydrogen 2.898 N/A LEU 51.A N PHE 48.A O no hydrogen 2.824 N/A PHE 52.A N PHE 48.A O no hydrogen 3.139 N/A GLU 55.A N ASN 53.A OD1 no hydrogen 2.738 N/A LEU 56.A N ASN 53.A O no hydrogen 3.254 N/A LEU 58.A N ARG 78.A O.A no hydrogen 3.018 N/A LEU 58.A N ARG 78.A O.B no hydrogen 3.007 N/A ILE 59.A N ASN 125.A O no hydrogen 2.854 N/A ASP 60.A N ILE 80.A O no hydrogen 2.845 N/A PHE 61.A N TYR 127.A O no hydrogen 2.875 N/A CYS 63.A N LEU 82.A O no hydrogen 2.955 N/A CYS 63.A SG GLY 64.A O no hydrogen 3.775 N/A CYS 63.A SG LEU 82.A O no hydrogen 3.592 N/A GLY 64.A N ASP 83.A OD2 no hydrogen 2.858 N/A ASN 65.A ND2 ASP 34.A OD2 no hydrogen 2.880 N/A GLY 66.A N CYS 63.A O no hydrogen 3.027 N/A THR 67.A OG1 ASP 34.A OD1 no hydrogen 2.582 N/A THR 67.A OG1 ASP 34.A OD2 no hydrogen 3.466 N/A THR 67.A OG1 ASN 65.A OD1 no hydrogen 3.149 N/A GLN 68.A NE2 ALA 35.A O no hydrogen 3.305 N/A THR 69.A OG1 ASP 60.A OD2 no hydrogen 2.553 N/A LYS 70.A N GLY 66.A O no hydrogen 3.086 N/A LYS 70.A NZ THR 97.A O no hydrogen 2.870 N/A LEU 72.A N GLN 68.A O no hydrogen 2.984 N/A SER 73.A N THR 69.A O no hydrogen 2.956 N/A SER 73.A OG LYS 70.A O no hydrogen 2.718 N/A GLN 74.A N PHE 71.A O no hydrogen 2.884 N/A PHE 75.A N LEU 72.A O no hydrogen 2.978 N/A PHE 76.A N LEU 72.A O no hydrogen 2.884 N/A VAL 79.A N ASN 100.A O no hydrogen 2.972 N/A ILE 80.A N LEU 58.A O no hydrogen 2.884 N/A GLY 81.A N SER 102.A O.A no hydrogen 2.739 N/A GLY 81.A N SER 102.A O.B no hydrogen 2.854 N/A LEU 82.A N ASP 60.A O no hydrogen 2.988 N/A ASP 83.A N ARG 104.A O no hydrogen 3.392 N/A SER 85.A N ASP 83.A OD1 no hydrogen 2.947 N/A SER 85.A OG GLU 18.A OE1 no hydrogen 2.558 N/A SER 87.A N GLU 18.A OE1 no hydrogen 2.883 N/A SER 87.A OG GLU 18.A OE1 no hydrogen 3.483 N/A SER 87.A OG GLU 18.A OE2 no hydrogen 2.491 N/A ALA 88.A N SER 85.A OG no hydrogen 3.003 N/A LEU 89.A N SER 85.A O no hydrogen 3.162 N/A GLU 90.A N LYS 86.A O no hydrogen 2.845 N/A ILE 91.A N SER 87.A O no hydrogen 3.003 N/A ALA 92.A N ALA 88.A O no hydrogen 2.924 N/A ALA 93.A N LEU 89.A O no hydrogen 2.855 N/A LYS 94.A N ILE 91.A O no hydrogen 3.039 N/A GLU 95.A N ILE 91.A O no hydrogen 2.829 N/A ASN 96.A N ALA 92.A O no hydrogen 2.779 N/A ASN 96.A ND2 ASN 65.A O no hydrogen 2.830 N/A ASN 100.A ND2 SER 73.A O no hydrogen 2.877 N/A ASN 100.A ND2 PRO 77.A O no hydrogen 3.162 N/A ILE 101.A N ALA 98.A O no hydrogen 3.125 N/A SER 102.A N.A VAL 79.A O no hydrogen 2.971 N/A SER 102.A N.B VAL 79.A O no hydrogen 2.966 N/A TYR 103.A OH ASN 96.A O no hydrogen 2.710 N/A ARG 104.A N GLY 81.A O no hydrogen 2.845 N/A ARG 104.A NH1 GLU 120.A OE1 no hydrogen 2.761 N/A ARG 104.A NH2 GLU 120.A OE2 no hydrogen 3.032 N/A LEU 106.A N ASP 83.A O no hydrogen 2.957 N/A ASP 107.A N GLN 113.A OE1 no hydrogen 2.871 N/A LEU 109.A N ASP 107.A OD1 no hydrogen 2.868 N/A VAL 110.A N ASP 107.A O no hydrogen 2.913 N/A GLN 113.A N VAL 110.A O no hydrogen 2.923 N/A ALA 115.A N PRO 111.A O no hydrogen 3.034 N/A GLN 116.A N GLU 112.A O no hydrogen 3.011 N/A GLN 116.A NE2 GLU 120.A OE2 no hydrogen 2.746 N/A ILE 117.A N GLN 113.A O no hydrogen 3.075 N/A HIS 118.A N ALA 114.A O no hydrogen 2.897 N/A HIS 118.A NE2 ASP 123.A OD1 no hydrogen 2.656 N/A SER 119.A N ALA 115.A O no hydrogen 2.968 N/A SER 119.A OG GLN 116.A O no hydrogen 2.581 N/A GLU 120.A N GLN 116.A O no hydrogen 3.244 N/A GLU 120.A N ILE 117.A O no hydrogen 2.937 N/A ILE 121.A N ILE 117.A O no hydrogen 2.989 N/A GLY 122.A N HIS 118.A O no hydrogen 2.916 N/A ALA 124.A N LEU 149.A O no hydrogen 2.984 N/A ASN 125.A N PRO 57.A O no hydrogen 2.932 N/A ASN 125.A ND2 ASN 53.A O no hydrogen 2.833 N/A ILE 126.A N ALA 155.A O no hydrogen 2.805 N/A TYR 127.A N ILE 59.A O no hydrogen 2.805 N/A TYR 127.A OH ASP 44.A OD2 no hydrogen 2.613 N/A ARG 128.A NH1 TRP 33.A O no hydrogen 2.817 N/A ARG 128.A NH2 TRP 33.A O no hydrogen 3.337 N/A ARG 128.A NH2 GLN 217.A O no hydrogen 3.187 N/A THR 129.A N ILE 158.A O no hydrogen 2.759 N/A THR 129.A OG1 ARG 128.A O no hydrogen 2.669 N/A GLY 130.A N GLU 159.A OE2 no hydrogen 2.876 N/A PHE 131.A N GLU 159.A OE1 no hydrogen 2.990 N/A PHE 131.A N GLU 159.A OE2 no hydrogen 3.058 N/A HIS 132.A N GLU 159.A OE1 no hydrogen 2.856 N/A ILE 134.A N PHE 131.A O no hydrogen 2.965 N/A GLU 137.A N GLU 137.A OE1 no hydrogen 2.780 N/A LYS 138.A N PRO 135.A O no hydrogen 2.877 N/A ARG 139.A N VAL 136.A O no hydrogen 3.189 N/A ARG 139.A NE ILE 134.A O no hydrogen 3.035 N/A ARG 139.A NH1 ILE 193.A O.A no hydrogen 3.068 N/A ARG 139.A NH1 ILE 193.A O.B no hydrogen 3.022 N/A ARG 139.A NH2 HIS 132.A O no hydrogen 2.879 N/A ARG 139.A NH2 ILE 193.A O.A no hydrogen 3.167 N/A ARG 139.A NH2 ILE 193.A O.B no hydrogen 2.904 N/A LEU 141.A N LYS 138.A O no hydrogen 3.242 N/A GLY 143.A N ARG 139.A O no hydrogen 2.983 N/A GLN 144.A N GLU 140.A O no hydrogen 2.885 N/A SER 145.A N LEU 141.A O no hydrogen 3.040 N/A SER 145.A OG GLY 108.A O no hydrogen 2.611 N/A SER 145.A OG LEU 141.A O no hydrogen 3.476 N/A LEU 146.A N LEU 142.A O no hydrogen 2.952 N/A ARG 147.A N GLY 143.A O no hydrogen 2.962 N/A ARG 147.A NE ASP 205.A OD2 no hydrogen 2.895 N/A ARG 147.A NH2 TYR 202.A O no hydrogen 2.997 N/A ARG 147.A NH2 ASP 205.A OD1 no hydrogen 2.842 N/A ILE 148.A N GLN 144.A O no hydrogen 2.979 N/A LEU 149.A N SER 145.A O no hydrogen 3.006 N/A LEU 150.A N LEU 146.A O no hydrogen 3.040 N/A GLY 151.A N ARG 147.A O no hydrogen 3.156 N/A GLN 153.A N ASP 123.A OD2 no hydrogen 2.965 N/A GLY 154.A N LEU 150.A O no hydrogen 2.926 N/A ALA 155.A N ASN 125.A OD1 no hydrogen 2.895 N/A TYR 156.A N ILE 126.A O no hydrogen 2.821 N/A TYR 156.A OH ASP 44.A OD1 no hydrogen 2.602 N/A LEU 157.A N ALA 235.A O no hydrogen 3.030 N/A GLU 159.A N PHE 233.A O no hydrogen 2.831 N/A GLY 161.A N PRO 231.A O no hydrogen 2.971 N/A CYS 164.A N GLY 161.A O no hydrogen 2.907 N/A CYS 164.A SG GLY 192.A O no hydrogen 3.413 N/A PHE 167.A N GLY 163.A O no hydrogen 2.847 N/A PHE 168.A N CYS 164.A O no hydrogen 3.146 N/A ASN 169.A N ILE 165.A O no hydrogen 2.910 N/A ASN 169.A ND2 LEU 3.A O no hydrogen 2.993 N/A SER 170.A N.A ASP 166.A O no hydrogen 2.856 N/A SER 170.A N.B ASP 166.A O no hydrogen 2.858 N/A SER 170.A OG.A ASP 166.A O no hydrogen 2.843 N/A SER 170.A OG.B ASP 166.A O no hydrogen 3.415 N/A SER 170.A OG.B PHE 167.A O no hydrogen 2.712 N/A LEU 171.A N PHE 167.A O no hydrogen 3.320 N/A LEU 172.A N PHE 168.A O no hydrogen 3.073 N/A GLU 173.A N ASN 169.A O no hydrogen 2.828 N/A LYS 174.A N SER 170.A O.A no hydrogen 2.814 N/A LYS 174.A N SER 170.A O.B no hydrogen 2.828 N/A TYR 175.A N LEU 171.A O no hydrogen 2.746 N/A GLY 176.A N LEU 172.A O no hydrogen 2.705 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.754 N/A LEU 182.A N PRO 179.A O no hydrogen 2.876 N/A LEU 183.A N PRO 179.A O no hydrogen 2.973 N/A LEU 184.A N TYR 180.A O no hydrogen 2.958 N/A VAL 185.A N.A LEU 182.A O no hydrogen 2.985 N/A VAL 185.A N.B LEU 182.A O no hydrogen 2.986 N/A HIS 187.A N VAL 185.A O.A no hydrogen 2.956 N/A HIS 187.A N VAL 185.A O.B no hydrogen 3.217 N/A HIS 187.A ND1 GLN 19.A OE1 no hydrogen 2.500 N/A ARG 190.A NH1 ILE 189.A O no hydrogen 2.845 N/A GLY 192.A N HIS 132.A ND1 no hydrogen 3.026 N/A PHE 194.A N LEU 160.A O no hydrogen 2.945 N/A THR 195.A N ASP 198.A OD2 no hydrogen 2.980 N/A THR 195.A OG1 GLU 197.A OE1 no hydrogen 3.235 N/A THR 195.A OG1 ASP 198.A OD2 no hydrogen 3.416 N/A ASP 198.A N THR 195.A OG1 no hydrogen 3.079 N/A ILE 199.A N THR 195.A O no hydrogen 3.202 N/A GLU 200.A N ALA 196.A O no hydrogen 3.313 N/A LEU 201.A N GLU 197.A O no hydrogen 3.006 N/A TYR 202.A N ASP 198.A O no hydrogen 2.942 N/A PHE 203.A N ILE 199.A O no hydrogen 2.806 N/A ASP 205.A N ASP 205.A OD1 no hydrogen 2.625 N/A PHE 206.A N PHE 203.A O no hydrogen 2.979 N/A GLU 207.A N.A LYS 238.A O no hydrogen 2.820 N/A GLU 207.A N.B LYS 238.A O no hydrogen 2.840 N/A LEU 209.A N VAL 236.A O no hydrogen 2.660 N/A SER 210.A N VAL 236.A O no hydrogen 3.449 N/A GLY 212.A N TRP 234.A O no hydrogen 2.821 N/A PHE 216.A N PRO 230.A O no hydrogen 2.834 N/A SER 218.A N ALA 228.A O no hydrogen 3.341 N/A SER 218.A OG ALA 228.A O no hydrogen 2.702 N/A ILE 219.A N LEU 32.A O no hydrogen 2.906 N/A HIS 220.A N SER 218.A OG no hydrogen 3.141 N/A HIS 220.A ND1 GLU 181.A OE1 no hydrogen 2.601 N/A LEU 222.A N ASN 226.A O no hydrogen 2.755 N/A GLY 225.A N LEU 222.A O no hydrogen 2.842 N/A ASN 226.A N ASP 224.A OD1.A no hydrogen 2.637 N/A ASN 226.A ND2 ASP 224.A OD1.B no hydrogen 3.386 N/A ASN 226.A ND2 ASP 224.A OD2.A no hydrogen 2.642 N/A ALA 228.A N HIS 220.A O no hydrogen 2.733 N/A THR 229.A OG1 THR 229.A O no hydrogen 2.599 N/A ALA 232.A N GLY 214.A O no hydrogen 2.901 N/A PHE 233.A N GLU 159.A O no hydrogen 2.901 N/A TRP 234.A N GLY 212.A O no hydrogen 2.946 N/A ALA 235.A N LEU 157.A O no hydrogen 3.042 N/A VAL 236.A N SER 210.A O no hydrogen 2.752 N/A LYS 238.A N GLU 207.A O.A no hydrogen 3.041 N/A LYS 238.A N GLU 207.A O.B no hydrogen 3.032 N/A HIS 239.A ND1 ARG 240.A OXT no hydrogen 2.707 N/A ARG 240.A N ASP 205.A O no hydrogen 2.937 N/A