Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2buy_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 4.A N ARG 229.A O no hydrogen 2.769 N/A TYR 6.A N GLU 39.A OE2 no hydrogen 2.740 N/A ALA 7.A N GLY 227.A O no hydrogen 2.967 N/A ASN 10.A ND2 GLU 12.A OE2 no hydrogen 3.285 N/A ASP 13.A N ASN 10.A O no hydrogen 2.857 N/A HIS 14.A N THR 11.A O no hydrogen 3.264 N/A ALA 19.A N SER 25.A OG no hydrogen 3.059 N/A TYR 22.A N ALA 19.A O no hydrogen 2.805 N/A LYS 23.A N ASN 149.A OD1 no hydrogen 2.964 N/A LYS 23.A NZ ASN 149.A O no hydrogen 3.093 N/A SER 25.A N TYR 22.A O no hydrogen 2.980 N/A SER 25.A OG ALA 19.A O no hydrogen 2.884 N/A SER 25.A OG TYR 22.A O no hydrogen 2.946 N/A VAL 26.A N LYS 23.A O no hydrogen 3.051 N/A ARG 28.A N SER 25.A O no hydrogen 3.188 N/A SER 29.A OG SER 25.A O no hydrogen 2.933 N/A THR 40.A N GLU 43.A OE1 no hydrogen 2.783 N/A THR 40.A OG1 GLU 43.A OE1 no hydrogen 2.537 N/A SER 42.A N THR 40.A OG1 no hydrogen 3.186 N/A GLU 43.A N THR 40.A O no hydrogen 2.931 N/A VAL 44.A N THR 40.A O no hydrogen 3.258 N/A THR 45.A OG1 LEU 41.A O no hydrogen 2.834 N/A LYS 53.A N SER 50.A O no hydrogen 3.093 N/A PHE 54.A N ALA 51.A O no hydrogen 3.047 N/A GLY 55.A N ASP 58.A OD1 no hydrogen 2.775 N/A ASP 58.A N GLY 55.A O no hydrogen 3.288 N/A ASN 59.A ND2 VAL 136.A O no hydrogen 3.008 N/A ASP 60.A N LYS 57.A O no hydrogen 2.933 N/A LEU 61.A N ARG 138.A O no hydrogen 2.811 N/A ILE 62.A N ASP 60.A OD2 no hydrogen 3.113 N/A LEU 63.A N ASP 60.A O no hydrogen 3.254 N/A LEU 63.A N ASP 60.A OD2 no hydrogen 3.261 N/A ASN 64.A N ASP 60.A O no hydrogen 2.809 N/A ASN 64.A ND2 LYS 57.A O no hydrogen 3.431 N/A ASN 64.A ND2 CYS 124.A O no hydrogen 3.038 N/A ALA 66.A N LEU 63.A O no hydrogen 3.145 N/A ILE 72.A N ASP 118.A OD2 no hydrogen 2.736 N/A ARG 75.A NE ASP 215.A O no hydrogen 3.247 N/A ARG 75.A NE ASP 215.A OD2 no hydrogen 3.083 N/A ARG 75.A NH2 ASP 215.A OD2 no hydrogen 2.916 N/A VAL 76.A N THR 139.A O no hydrogen 2.964 N/A ILE 77.A N ARG 217.A O no hydrogen 2.860 N/A VAL 78.A N PHE 137.A O no hydrogen 2.921 N/A HIS 79.A N TYR 219.A O no hydrogen 3.037 N/A HIS 79.A ND1 TYR 134.A OH no hydrogen 2.708 N/A HIS 79.A NE2 ASP 207.A OD2 no hydrogen 2.735 N/A GLY 80.A N TYR 135.A O no hydrogen 3.186 N/A TYR 81.A N ASP 222.A OD2 no hydrogen 2.847 N/A VAL 82.A N GLY 133.A O no hydrogen 2.812 N/A ARG 83.A N ILE 223.A O no hydrogen 2.952 N/A ARG 83.A NE THR 224.A OG1 no hydrogen 2.867 N/A ARG 83.A NH2 THR 224.A OG1 no hydrogen 3.322 N/A ASP 84.A N ARG 88.A O no hydrogen 2.833 N/A PHE 86.A N ASP 84.A OD2 no hydrogen 2.948 N/A GLY 87.A N ASP 84.A O no hydrogen 2.781 N/A ARG 88.A N ASP 84.A OD2 no hydrogen 2.995 N/A ARG 88.A NH1 ARG 228.A O no hydrogen 3.201 N/A ARG 88.A NH2 ASP 84.A OD1 no hydrogen 3.181 N/A ARG 88.A NH2 ARG 228.A O no hydrogen 2.836 N/A VAL 90.A N VAL 82.A O no hydrogen 3.048 N/A ASN 92.A N THR 129.A O no hydrogen 3.036 N/A ALA 93.A N THR 129.A OG1 no hydrogen 2.873 N/A LEU 94.A N ILE 164.A O no hydrogen 2.808 N/A VAL 95.A N MET 127.A O no hydrogen 2.837 N/A GLU 96.A N SER 162.A O no hydrogen 2.966 N/A VAL 97.A N GLY 125.A O no hydrogen 2.978 N/A TRP 98.A N HIS 160.A O no hydrogen 3.048 N/A GLN 99.A N GLY 123.A O no hydrogen 2.971 N/A GLN 99.A NE2 ALA 100.A O no hydrogen 3.005 N/A GLN 99.A NE2 ILE 140.A O no hydrogen 2.781 N/A ASN 101.A N ARG 105.A O no hydrogen 2.810 N/A SER 103.A OG ALA 116.A O no hydrogen 2.793 N/A GLY 104.A N ASN 101.A O no hydrogen 3.022 N/A ARG 105.A NE ASP 111.A O no hydrogen 3.204 N/A ARG 105.A NH1 GLY 115.A O no hydrogen 2.995 N/A ARG 105.A NH2 ASP 111.A O no hydrogen 3.209 N/A TYR 106.A N ASP 111.A OD1 no hydrogen 2.704 N/A TYR 106.A OH HIS 160.A NE2 no hydrogen 3.112 N/A ARG 107.A NE PHE 121.A O no hydrogen 2.933 N/A ARG 107.A NH2 ASP 118.A O no hydrogen 2.930 N/A ARG 107.A NH2 PHE 121.A O no hydrogen 3.269 N/A ASN 110.A N HIS 108.A ND1 no hydrogen 3.036 N/A ASP 111.A N HIS 108.A O no hydrogen 3.133 N/A TYR 113.A N ASP 111.A OD2 no hydrogen 3.096 N/A ASN 120.A N ASP 118.A OD1 no hydrogen 2.938 N/A PHE 121.A N ASP 118.A O no hydrogen 3.136 N/A GLY 125.A N VAL 97.A O no hydrogen 3.171 N/A ARG 126.A N ASP 58.A O no hydrogen 3.000 N/A ARG 126.A NE ASP 58.A OD1 no hydrogen 2.942 N/A ARG 126.A NH1 ASP 58.A OD1 no hydrogen 3.143 N/A MET 127.A N VAL 95.A O no hydrogen 2.920 N/A THR 129.A N ALA 93.A O no hydrogen 2.986 N/A THR 129.A OG1 VAL 90.A O no hydrogen 2.786 N/A ASP 130.A N TYR 134.A O no hydrogen 3.057 N/A ASN 132.A N ASP 130.A OD1 no hydrogen 2.656 N/A GLY 133.A N ASP 130.A O no hydrogen 3.000 N/A TYR 134.A N ASP 130.A OD1 no hydrogen 2.873 N/A TYR 134.A OH HIS 79.A ND1 no hydrogen 2.708 N/A TYR 135.A N GLY 80.A O no hydrogen 2.968 N/A TYR 135.A OH PHE 221.A O no hydrogen 2.634 N/A PHE 137.A N VAL 78.A O no hydrogen 2.964 N/A ARG 138.A N ASN 59.A O no hydrogen 3.066 N/A ARG 138.A NE ASP 60.A OD2 no hydrogen 3.092 N/A ARG 138.A NH2 ASP 60.A OD1 no hydrogen 2.808 N/A THR 139.A N VAL 76.A O no hydrogen 2.900 N/A THR 139.A OG1 GLN 99.A OE1 no hydrogen 2.747 N/A THR 139.A OG1 ILE 140.A O no hydrogen 3.400 N/A ILE 140.A N THR 139.A OG1 no hydrogen 2.625 N/A LYS 141.A N GLU 74.A O no hydrogen 2.851 N/A LYS 141.A NZ TYR 219.A OH no hydrogen 3.228 N/A GLY 143.A N ASN 101.A O no hydrogen 2.910 N/A TYR 145.A N ARG 155.A O no hydrogen 3.215 N/A TYR 145.A OH ASP 111.A OD2 no hydrogen 2.935 N/A TRP 147.A N GLU 153.A O no hydrogen 2.983 N/A ASN 149.A N ARG 150.A O no hydrogen 2.981 N/A ASN 149.A ND2 GLY 21.A O no hydrogen 2.913 N/A ASN 149.A ND2 GLU 153.A OE1 no hydrogen 2.922 N/A ARG 150.A N GLU 153.A OE1 no hydrogen 3.128 N/A ARG 150.A NE GLU 153.A OE1 no hydrogen 2.861 N/A ARG 150.A NH2 GLU 153.A OE2 no hydrogen 2.897 N/A ARG 155.A N TYR 145.A O no hydrogen 2.706 N/A ALA 157.A N ASP 181.A OD1 no hydrogen 2.895 N/A HIS 158.A ND1 PRO 156.A O no hydrogen 2.754 N/A ILE 159.A N PHE 176.A O no hydrogen 3.136 N/A HIS 160.A N TRP 98.A O no hydrogen 2.896 N/A HIS 160.A NE2 TYR 106.A OH no hydrogen 3.112 N/A PHE 161.A N SER 174.A O no hydrogen 2.984 N/A SER 162.A N GLU 96.A O no hydrogen 2.878 N/A LEU 163.A N LEU 172.A O no hydrogen 2.881 N/A ILE 164.A N LEU 94.A O no hydrogen 3.071 N/A TRP 168.A N THR 45.A O no hydrogen 2.809 N/A ALA 169.A N GLU 43.A O no hydrogen 3.006 N/A GLN 170.A N GLY 167.A O no hydrogen 2.808 N/A ARG 171.A N TRP 168.A O no hydrogen 3.012 N/A ARG 171.A NH1 SER 162.A OG no hydrogen 2.838 N/A ARG 171.A NH2 SER 162.A OG no hydrogen 2.879 N/A LEU 172.A N LEU 163.A O no hydrogen 3.431 N/A SER 174.A N PHE 161.A O no hydrogen 2.941 N/A PHE 176.A N ILE 159.A O no hydrogen 2.982 N/A TYR 177.A N LEU 202.A O no hydrogen 2.786 N/A GLU 179.A N ALA 204.A O no hydrogen 2.957 N/A ASP 181.A N PHE 178.A O no hydrogen 3.056 N/A LEU 183.A N ASP 181.A OD2 no hydrogen 2.916 N/A ILE 184.A N ASP 181.A O no hydrogen 3.255 N/A SER 186.A N LEU 183.A O no hydrogen 3.093 N/A CYS 187.A N LEU 183.A O no hydrogen 3.196 N/A LYS 191.A N CYS 187.A O no hydrogen 3.010 N/A THR 192.A N ILE 189.A O no hydrogen 3.390 N/A THR 192.A OG1 ILE 189.A O no hydrogen 2.749 N/A ILE 193.A N LEU 190.A O no hydrogen 3.149 N/A GLN 198.A N SER 195.A OG no hydrogen 3.203 N/A GLN 198.A NE2 ASP 13.A O no hydrogen 2.909 N/A ARG 199.A N SER 195.A O no hydrogen 3.087 N/A ARG 199.A NE ILE 193.A O no hydrogen 2.787 N/A ARG 199.A NH2 ILE 193.A O no hydrogen 2.901 N/A ARG 200.A N GLU 196.A O no hydrogen 3.041 N/A ARG 200.A NE GLU 196.A O no hydrogen 3.606 N/A ALA 201.A N GLN 197.A O no hydrogen 3.106 N/A ALA 201.A N GLN 198.A O no hydrogen 3.067 N/A LEU 202.A N ARG 199.A O no hydrogen 3.139 N/A ILE 203.A N ARG 200.A O no hydrogen 3.215 N/A ALA 204.A N TYR 177.A O no hydrogen 2.696 N/A LEU 205.A N ARG 220.A O no hydrogen 2.921 N/A GLU 206.A N GLU 179.A OE1 no hydrogen 2.836 N/A ASP 207.A N CYS 218.A O no hydrogen 2.761 N/A ASN 210.A N ASP 207.A O no hydrogen 3.020 N/A ASN 210.A ND2 ASP 207.A OD1 no hydrogen 3.255 N/A ASN 210.A ND2 ASP 207.A OD2 no hydrogen 2.828 N/A PHE 211.A N LYS 208.A O no hydrogen 3.189 N/A ILE 212.A N SER 216.A O no hydrogen 2.778 N/A GLU 213.A N GLU 213.A OE1 no hydrogen 2.738 N/A ASP 215.A N ILE 212.A O no hydrogen 2.955 N/A SER 216.A N ILE 212.A O no hydrogen 3.002 N/A SER 216.A OG ASP 215.A OD2 no hydrogen 2.527 N/A ARG 217.A N ARG 75.A O no hydrogen 3.067 N/A CYS 218.A SG ILE 77.A O no hydrogen 3.815 N/A CYS 218.A SG TYR 219.A O no hydrogen 3.995 N/A TYR 219.A N ILE 77.A O no hydrogen 2.870 N/A ARG 220.A N LEU 205.A O no hydrogen 2.844 N/A ARG 220.A NE ASP 222.A OD2 no hydrogen 2.730 N/A ARG 220.A NH1 ASP 222.A OD1 no hydrogen 2.809 N/A ARG 220.A NH1 ASP 222.A OD2 no hydrogen 3.402 N/A PHE 221.A N HIS 79.A O no hydrogen 2.861 N/A ILE 223.A N TYR 81.A O no hydrogen 2.947 N/A LEU 225.A N ARG 83.A O no hydrogen 2.847 N/A ARG 226.A NE ALA 7.A O no hydrogen 3.086 N/A ARG 226.A NH2 ALA 7.A O no hydrogen 2.916 N/A GLY 227.A N GLN 85.A OE1 no hydrogen 2.917 N/A ARG 228.A NE GLY 4.A O no hydrogen 2.900 N/A ARG 228.A NH2 GLY 4.A O no hydrogen 3.021 N/A ARG 229.A N ALA 5.A O no hydrogen 3.061 N/A THR 231.A N ILE 2.A O no hydrogen 2.677 N/A