Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u8k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 2.A N ASP 5.A OD2 no hydrogen 3.455 N/A ASP 5.A N ASP 2.A OD1 no hydrogen 2.887 N/A ILE 6.A N ASP 2.A O no hydrogen 3.013 N/A LEU 7.A N ARG 3.A O no hydrogen 2.870 N/A TYR 8.A N ALA 4.A O no hydrogen 2.994 N/A ASN 9.A N ASP 5.A O no hydrogen 2.940 N/A ILE 10.A N ILE 6.A O no hydrogen 3.035 N/A ARG 11.A N LEU 7.A O no hydrogen 3.011 N/A GLN 12.A N TYR 8.A O no hydrogen 2.896 N/A THR 13.A N ASN 9.A O no hydrogen 3.027 N/A THR 13.A N ILE 10.A O no hydrogen 3.348 N/A THR 13.A OG1 ASN 9.A O no hydrogen 3.036 N/A SER 14.A N ILE 10.A O no hydrogen 2.812 N/A SER 14.A OG SER 80.A O no hydrogen 2.776 N/A ARG 15.A NE ASP 17.A OD1 no hydrogen 3.027 N/A ARG 15.A NH2 ASP 17.A OD2 no hydrogen 3.153 N/A ASP 17.A N ASP 17.A OD1 no hydrogen 2.663 N/A VAL 18.A N ARG 15.A O no hydrogen 3.088 N/A THR 21.A N ILE 19.A O no hydrogen 2.898 N/A ARG 25.A N GLN 22.A O no hydrogen 3.262 N/A VAL 27.A N GLU 149.A O no hydrogen 2.884 N/A VAL 29.A N SER 151.A O no hydrogen 2.837 N/A SER 30.A N THR 57.A O no hydrogen 2.843 N/A VAL 31.A N ASP 153.A O no hydrogen 3.144 N/A SER 32.A N GLN 55.A O no hydrogen 3.027 N/A LYS 34.A N TRP 53.A O no hydrogen 2.888 N/A LYS 34.A NZ SER 32.A OG no hydrogen 3.121 N/A LYS 34.A NZ GLU 157.A OE1 no hydrogen 3.108 N/A ILE 36.A N VAL 51.A O no hydrogen 2.760 N/A ASN 37.A N VAL 51.A O no hydrogen 3.153 N/A LEU 39.A N ASP 49.A O no hydrogen 2.891 N/A ASN 42.A N GLU 47.A O no hydrogen 2.931 N/A THR 45.A N ASN 42.A OD1 no hydrogen 3.075 N/A GLU 47.A N ASN 42.A O no hydrogen 3.244 N/A VAL 48.A N PHE 121.A O no hydrogen 3.116 N/A VAL 50.A N GLN 119.A O no hydrogen 3.040 N/A VAL 51.A N ASN 37.A O no hydrogen 2.869 N/A PHE 52.A N ILE 117.A O no hydrogen 2.927 N/A TRP 53.A N LYS 34.A O no hydrogen 2.787 N/A GLN 54.A N PRO 115.A O no hydrogen 3.033 N/A GLN 55.A N SER 32.A O no hydrogen 2.834 N/A THR 56.A N TYR 113.A O no hydrogen 2.863 N/A THR 56.A OG1 GLN 54.A O no hydrogen 3.096 N/A THR 57.A N SER 30.A O no hydrogen 2.967 N/A TRP 58.A N VAL 111.A O no hydrogen 3.235 N/A ASP 60.A N GLY 109.A O no hydrogen 2.809 N/A THR 62.A N ASP 60.A OD1 no hydrogen 3.200 N/A THR 62.A OG1 ASP 60.A OD1 no hydrogen 2.895 N/A LEU 63.A N ASP 60.A O no hydrogen 3.050 N/A ALA 64.A N ARG 61.A O no hydrogen 2.890 N/A TRP 65.A N SER 107.A O no hydrogen 2.947 N/A TRP 65.A NE1 PRO 71.A O no hydrogen 3.024 N/A SER 67.A OG SER 107.A OG no hydrogen 3.284 N/A SER 68.A N ASN 66.A OD1 no hydrogen 2.983 N/A SER 68.A OG ASN 66.A OD1 no hydrogen 3.375 N/A SER 70.A N SER 67.A O no hydrogen 3.109 N/A SER 70.A OG LEU 1.A O no hydrogen 3.421 N/A VAL 74.A N VAL 105.A O no hydrogen 3.017 N/A VAL 76.A N ALA 103.A O no hydrogen 2.789 N/A ILE 78.A N GLN 101.A O no hydrogen 3.176 N/A SER 80.A N PRO 77.A O no hydrogen 3.000 N/A LEU 81.A N ILE 78.A O no hydrogen 3.102 N/A ALA 87.A N GLY 141.A O no hydrogen 2.957 N/A TYR 89.A N LYS 139.A O no hydrogen 2.814 N/A ASN 90.A ND2 SER 122.A O no hydrogen 3.029 N/A ASN 90.A ND2 ARG 137.A O no hydrogen 2.837 N/A ALA 91.A N ALA 88.A O no hydrogen 3.325 N/A ILE 92.A N ARG 120.A O no hydrogen 2.889 N/A SER 93.A OG LYS 94.A O no hydrogen 3.416 N/A GLU 96.A N ARG 118.A O no hydrogen 2.892 N/A LEU 98.A N SER 116.A O no hydrogen 2.808 N/A LEU 102.A N PRO 100.A O no hydrogen 2.917 N/A ALA 103.A N VAL 76.A O no hydrogen 2.814 N/A ARG 104.A N LEU 112.A O no hydrogen 2.793 N/A ARG 104.A NE GLN 73.A OE1 no hydrogen 2.834 N/A ARG 104.A NH1 SER 75.A OG no hydrogen 2.975 N/A ARG 104.A NH2 GLN 73.A OE1 no hydrogen 3.509 N/A VAL 105.A N VAL 74.A O no hydrogen 2.816 N/A VAL 106.A N GLU 110.A O no hydrogen 2.855 N/A SER 107.A N ASP 72.A O no hydrogen 2.781 N/A SER 107.A OG SER 67.A OG no hydrogen 3.284 N/A GLY 109.A N VAL 106.A O no hydrogen 2.795 N/A GLU 110.A N ASP 108.A OD1 no hydrogen 3.097 N/A VAL 111.A N TRP 58.A O no hydrogen 2.858 N/A LEU 112.A N ARG 104.A O no hydrogen 2.871 N/A TYR 113.A N THR 56.A O no hydrogen 2.982 N/A SER 116.A N THR 99.A OG1 no hydrogen 3.016 N/A ILE 117.A N PHE 52.A O no hydrogen 2.848 N/A ARG 118.A N GLU 96.A O no hydrogen 2.892 N/A ARG 118.A NE ASP 49.A OD2 no hydrogen 2.992 N/A ARG 118.A NH2 ASP 49.A OD2 no hydrogen 2.735 N/A GLN 119.A N VAL 50.A O no hydrogen 3.001 N/A GLN 119.A NE2 SER 93.A O no hydrogen 3.033 N/A ARG 120.A N SER 93.A OG no hydrogen 3.104 N/A ARG 120.A NE GLU 47.A OE1 no hydrogen 3.103 N/A ARG 120.A NH1 GLU 40.A O no hydrogen 3.217 N/A ARG 120.A NH1 ASP 49.A OD1 no hydrogen 3.162 N/A ARG 120.A NH2 GLU 40.A O no hydrogen 3.546 N/A ARG 120.A NH2 GLU 47.A OE1 no hydrogen 3.535 N/A PHE 121.A N VAL 48.A O no hydrogen 2.882 N/A SER 122.A N ASN 90.A O no hydrogen 2.912 N/A CYS 123.A N ASN 46.A O no hydrogen 3.109 N/A VAL 125.A N ASN 46.A OD1 no hydrogen 2.924 N/A SER 126.A N ASP 124.A OD1 no hydrogen 3.320 N/A SER 126.A OG ASP 124.A OD1 no hydrogen 3.038 N/A GLY 127.A N GLU 43.A OE2 no hydrogen 3.094 N/A VAL 128.A N VAL 125.A O no hydrogen 3.173 N/A THR 130.A N GLY 127.A O no hydrogen 3.045 N/A THR 130.A OG1 GLY 127.A O no hydrogen 2.699 N/A ALA 134.A N PHE 201.A O no hydrogen 2.785 N/A CYS 136.A N LEU 199.A O no hydrogen 2.908 N/A ILE 138.A N VAL 197.A O no hydrogen 2.771 N/A LYS 139.A N ASN 90.A OD1 no hydrogen 3.191 N/A LYS 139.A NZ TYR 185.A OH no hydrogen 2.761 N/A ILE 140.A N VAL 195.A O no hydrogen 2.858 N/A GLY 141.A N ALA 87.A O no hydrogen 3.225 N/A SER 142.A OG ASP 85.A OD1 no hydrogen 2.743 N/A SER 142.A OG ASP 85.A OD2 no hydrogen 3.536 N/A SER 142.A OG HIS 145.A O no hydrogen 3.363 N/A TRP 143.A N ASP 85.A O no hydrogen 2.966 N/A THR 144.A N ASP 85.A OD2 no hydrogen 2.996 N/A THR 144.A OG1 ASP 85.A OD2 no hydrogen 2.840 N/A HIS 145.A N SER 142.A OG no hydrogen 2.944 N/A HIS 145.A ND1 GLU 149.A OE1 no hydrogen 2.783 N/A SER 147.A N ALA 191.A O no hydrogen 2.814 N/A ARG 148.A N HIS 146.A ND1 no hydrogen 3.098 N/A GLU 149.A N HIS 146.A O no hydrogen 2.908 N/A ILE 150.A N HIS 146.A O no hydrogen 2.945 N/A SER 151.A N VAL 27.A O no hydrogen 3.081 N/A VAL 152.A N GLU 193.A OE1 no hydrogen 2.938 N/A ASP 153.A N VAL 29.A O no hydrogen 2.866 N/A SER 159.A OG GLU 157.A OE2 no hydrogen 3.263 N/A SER 159.A OG ASP 160.A O no hydrogen 3.268 N/A SER 159.A OG GLU 163.A OE1 no hydrogen 3.545 N/A SER 162.A OG ASP 161.A OD1 no hydrogen 3.519 N/A GLU 163.A N ASP 161.A O no hydrogen 2.164 N/A PHE 165.A N SER 162.A O no hydrogen 3.348 N/A SER 166.A N ILE 36.A O no hydrogen 2.740 N/A TYR 168.A N SER 166.A OG no hydrogen 3.109 N/A SER 169.A N SER 166.A O no hydrogen 3.422 N/A SER 169.A OG ILE 38.A O no hydrogen 3.036 N/A SER 169.A OG PHE 171.A O no hydrogen 3.523 N/A PHE 171.A N SER 169.A OG no hydrogen 2.989 N/A GLU 172.A N ARG 202.A O no hydrogen 2.963 N/A LEU 174.A N ASN 200.A O no hydrogen 2.682 N/A ASP 175.A N ASN 200.A O no hydrogen 3.158 N/A THR 177.A N SER 198.A O no hydrogen 3.072 N/A LYS 180.A NZ VAL 152.A O no hydrogen 2.761 N/A LYS 180.A NZ ASP 153.A OD2 no hydrogen 3.305 N/A LYS 180.A NZ GLU 193.A OE1 no hydrogen 2.899 N/A ASN 181.A N ASP 194.A O no hydrogen 2.857 N/A ASN 181.A ND2 ASP 194.A OD1 no hydrogen 3.204 N/A VAL 183.A N TYR 192.A O no hydrogen 2.834 N/A CYS 188.A N TYR 185.A O no hydrogen 3.201 N/A TYR 192.A N VAL 183.A O no hydrogen 2.676 N/A ASP 194.A N ASN 181.A O no hydrogen 2.942 N/A VAL 195.A N ILE 140.A O no hydrogen 2.716 N/A GLU 196.A N LYS 179.A O no hydrogen 2.752 N/A VAL 197.A N ILE 138.A O no hydrogen 2.787 N/A SER 198.A N THR 177.A O no hydrogen 2.736 N/A LEU 199.A N CYS 136.A O no hydrogen 2.744 N/A ASN 200.A N ASP 175.A O no hydrogen 2.837 N/A ASN 200.A ND2 SER 132.A O no hydrogen 3.201 N/A ASN 200.A ND2 ALA 134.A O no hydrogen 2.869 N/A PHE 201.A N ALA 134.A O no hydrogen 2.944 N/A ARG 202.A N GLU 172.A O no hydrogen 3.088 N/A ARG 202.A NE GLU 172.A OE2 no hydrogen 2.716 N/A ARG 202.A NH1 GLU 131.A O no hydrogen 2.714 N/A ARG 202.A NH2 GLU 172.A OE2 no hydrogen 2.948 N/A LYS 203.A N VAL 128.A O no hydrogen 2.910 N/A LYS 204.A N ARG 170.A O no hydrogen 2.934 N/A LYS 204.A NZ GLN 167.A O no hydrogen 2.874 N/A LYS 204.A NZ SER 169.A O no hydrogen 2.635 N/A GLU 208.A N GLY 205.A O no hydrogen 3.143 N/A ILE 209.A N ARG 206.A O no hydrogen 3.370 N/A