Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bww_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE ILE 54.A O.A no hydrogen 2.883 N/A ARG 2.A NE ILE 54.A O.B no hydrogen 2.910 N/A ARG 2.A NH1 ILE 246.A O no hydrogen 2.999 N/A ARG 2.A NH2 ASN 84.A O no hydrogen 3.112 N/A ALA 5.A N GLN 27.A OE1 no hydrogen 3.152 N/A GLY 6.A N THR 210.A O no hydrogen 3.031 N/A LEU 7.A N PHE 28.A O no hydrogen 3.243 N/A TYR 9.A N GLU 29.A O no hydrogen 2.908 N/A ARG 10.A NE ASP 12.A OD1 no hydrogen 3.183 N/A ARG 10.A NE ASP 12.A OD2 no hydrogen 3.222 N/A ARG 10.A NH2 ASP 12.A OD2 no hydrogen 3.092 N/A LEU 13.A N ARG 10.A O no hydrogen 2.930 N/A ALA 14.A N ARG 11.A O no hydrogen 3.403 N/A PHE 17.A N LEU 13.A O no hydrogen 3.099 N/A LEU 18.A N ALA 14.A O no hydrogen 2.913 N/A GLN 19.A N GLY 16.A O no hydrogen 3.334 N/A GLN 19.A NE2 GLU 15.A O no hydrogen 3.115 N/A LEU 20.A N PHE 17.A O no hydrogen 3.116 N/A ASN 23.A ND2 GLN 27.A O no hydrogen 2.822 N/A ASP 24.A N ASN 22.A OD1 no hydrogen 2.828 N/A ARG 25.A NE ASP 226.A OD1 no hydrogen 3.065 N/A ARG 25.A NE ASP 226.A OD2 no hydrogen 3.062 N/A ARG 25.A NH1 GLU 219.A OE1 no hydrogen 3.294 N/A ARG 25.A NH1 GLU 219.A OE2 no hydrogen 3.145 N/A ARG 25.A NH2 GLU 219.A OE2 no hydrogen 2.891 N/A ARG 25.A NH2 ASP 226.A OD2 no hydrogen 2.880 N/A GLN 27.A N ALA 5.A O no hydrogen 3.098 N/A ILE 30.A N LEU 55.A O no hydrogen 3.283 N/A GLU 33.A N GLU 33.A OE1 no hydrogen 2.823 N/A ASN 34.A N ALA 31.A O no hydrogen 3.104 N/A TRP 35.A N ALA 31.A O no hydrogen 3.045 N/A TRP 35.A NE1 TYR 83.A OH no hydrogen 2.890 N/A ILE 36.A N PRO 32.A O no hydrogen 2.931 N/A ARG 42.A N GLY 38.A O no hydrogen 2.895 N/A ARG 42.A NH2 TRP 35.A O no hydrogen 2.803 N/A TYR 43.A N GLY 39.A O no hydrogen 2.961 N/A GLN 44.A N PHE 40.A O no hydrogen 3.014 N/A PHE 45.A N ALA 41.A O no hydrogen 3.091 N/A ASP 46.A N ARG 42.A O no hydrogen 2.729 N/A LYS 47.A N TYR 43.A O no hydrogen 2.876 N/A VAL 48.A N GLN 44.A O no hydrogen 2.943 N/A ALA 49.A N PHE 45.A O no hydrogen 2.903 N/A LYS 51.A N VAL 48.A O no hydrogen 2.966 N/A ILE 52.A N VAL 48.A O no hydrogen 2.944 N/A HIS 57.A N ILE 30.A O no hydrogen 3.132 N/A HIS 57.A ND1 SER 89.A OG no hydrogen 2.655 N/A GLY 58.A N SER 89.A O no hydrogen 2.852 N/A LEU 59.A N GLU 33.A OE1 no hydrogen 3.052 N/A SER 60.A N GLU 33.A OE2 no hydrogen 3.056 N/A SER 60.A OG GLU 33.A OE2 no hydrogen 2.476 N/A LEU 61.A N ASP 90.A OD2 no hydrogen 2.878 N/A LEU 63.A N HIS 91.A O no hydrogen 3.353 N/A GLY 64.A N LEU 92.A O.A no hydrogen 3.026 N/A GLY 64.A N LEU 92.A O.B no hydrogen 3.001 N/A GLY 65.A N SER 62.A O no hydrogen 3.299 N/A GLU 72.A N ASP 70.A OD1 no hydrogen 3.246 N/A LEU 73.A N ASP 70.A OD1 no hydrogen 3.447 N/A LEU 74.A N ASP 70.A O no hydrogen 3.008 N/A SER 75.A N LYS 71.A O no hydrogen 2.953 N/A SER 75.A OG LYS 71.A O no hydrogen 3.091 N/A SER 76.A N GLU 72.A O no hydrogen 3.231 N/A SER 76.A OG GLU 72.A O no hydrogen 3.169 N/A ILE 77.A N LEU 73.A O no hydrogen 2.977 N/A LYS 78.A N LEU 74.A O no hydrogen 2.976 N/A LYS 78.A NZ PHE 117.A O no hydrogen 2.748 N/A LYS 78.A NZ GLU 119.A OE2 no hydrogen 3.188 N/A ALA 79.A N SER 75.A O no hydrogen 2.977 N/A LYS 81.A N LYS 78.A O no hydrogen 3.153 N/A GLN 82.A N ALA 79.A O no hydrogen 2.777 N/A TYR 83.A OH ASP 46.A OD1 no hydrogen 2.402 N/A ASN 84.A N LYS 81.A O no hydrogen 3.363 N/A THR 85.A N ILE 80.A O no hydrogen 2.926 N/A THR 85.A OG1 ILE 54.A O.A no hydrogen 2.605 N/A THR 85.A OG1 ILE 54.A O.B no hydrogen 2.646 N/A PHE 87.A N THR 85.A O no hydrogen 2.934 N/A SER 89.A N ILE 56.A O no hydrogen 3.193 N/A SER 89.A OG HIS 57.A ND1 no hydrogen 2.655 N/A SER 89.A OG HIS 155.A ND1 no hydrogen 2.671 N/A ASP 90.A N SER 123.A O no hydrogen 3.400 N/A HIS 91.A N ASP 90.A OD1 no hydrogen 2.646 N/A HIS 91.A ND1 ASP 90.A OD1 no hydrogen 3.054 N/A PHE 99.A N SER 136.A OG no hydrogen 2.995 N/A ALA 103.A N THR 100.A O no hydrogen 3.126 N/A ALA 103.A N THR 100.A OG1 no hydrogen 3.241 N/A VAL 104.A N THR 100.A O no hydrogen 3.064 N/A LYS 105.A N ASP 101.A O no hydrogen 2.913 N/A LYS 105.A NZ ASP 101.A OD1 no hydrogen 2.851 N/A LYS 105.A NZ GLU 149.A OE1 no hydrogen 2.666 N/A LYS 105.A NZ GLU 149.A OE2 no hydrogen 2.970 N/A HIS 106.A N GLU 102.A O no hydrogen 3.194 N/A HIS 106.A NE2 GLY 65.A O no hydrogen 2.760 N/A THR 107.A N ALA 103.A O no hydrogen 2.845 N/A THR 107.A OG1 ALA 103.A O no hydrogen 2.917 N/A ALA 108.A N VAL 104.A O no hydrogen 2.913 N/A ALA 109.A N LYS 105.A O no hydrogen 3.078 N/A ARG 110.A N THR 107.A O no hydrogen 3.206 N/A ARG 110.A NE LEU 63.A O no hydrogen 2.868 N/A ARG 110.A NH1 ALA 67.A O no hydrogen 2.893 N/A ARG 110.A NH2 SER 62.A O no hydrogen 2.866 N/A ARG 110.A NH2 ALA 67.A O no hydrogen 3.095 N/A ILE 111.A N THR 107.A O no hydrogen 3.103 N/A ARG 112.A N ALA 108.A O no hydrogen 2.971 N/A ARG 112.A NH1 GLU 149.A O no hydrogen 2.737 N/A VAL 114.A N ARG 110.A O no hydrogen 3.001 N/A GLN 115.A N ILE 111.A O no hydrogen 2.893 N/A GLN 115.A NE2 ALA 150.A O no hydrogen 3.125 N/A ASP 116.A N ARG 112.A O no hydrogen 3.136 N/A PHE 117.A N GLU 113.A O no hydrogen 3.135 N/A LEU 118.A N VAL 114.A O no hydrogen 2.951 N/A GLU 119.A N GLN 115.A O no hydrogen 2.805 N/A GLN 121.A NE2 ASN 151.A O no hydrogen 2.932 N/A ILE 122.A N GLN 115.A OE1 no hydrogen 2.881 N/A SER 123.A N PHE 88.A O no hydrogen 2.963 N/A SER 123.A OG ASN 186.A OD1 no hydrogen 2.513 N/A VAL 124.A N GLY 153.A O no hydrogen 3.024 N/A GLU 125.A N ASP 90.A O no hydrogen 2.811 N/A ASN 126.A ND2 ASP 157.A O no hydrogen 3.002 N/A SER 128.A OG ASN 160.A OD1 no hydrogen 3.462 N/A TYR 129.A N ASN 164.A OD1 no hydrogen 3.168 N/A TYR 129.A OH HIS 132.A ND1 no hydrogen 2.725 N/A HIS 132.A ND1 TYR 129.A OH no hydrogen 2.725 N/A SER 133.A OG THR 135.A OG1 no hydrogen 2.883 N/A THR 135.A N SER 133.A OG no hydrogen 2.903 N/A THR 135.A OG1 SER 133.A OG no hydrogen 2.883 N/A SER 136.A N SER 133.A O no hydrogen 3.348 N/A SER 136.A OG SER 133.A O no hydrogen 3.237 N/A THR 137.A N PHE 99.A O no hydrogen 2.924 N/A ASN 138.A N GLU 141.A OE1 no hydrogen 2.886 N/A GLU 141.A N ASN 138.A OD1 no hydrogen 2.921 N/A PHE 142.A N ASN 138.A O no hydrogen 3.025 N/A LEU 143.A N GLU 139.A O no hydrogen 3.045 N/A ASN 144.A N VAL 140.A O no hydrogen 2.976 N/A ASN 144.A ND2 ASN 179.A O no hydrogen 2.722 N/A ALA 145.A N GLU 141.A O no hydrogen 2.913 N/A ILE 146.A N PHE 142.A O no hydrogen 2.938 N/A VAL 147.A N LEU 143.A O no hydrogen 3.004 N/A GLN 148.A N ASN 144.A O no hydrogen 3.024 N/A GLN 148.A NE2 ASP 181.A OD2 no hydrogen 2.784 N/A GLU 149.A N ALA 145.A O no hydrogen 3.089 N/A ALA 150.A N ILE 146.A O no hydrogen 2.737 N/A CYS 152.A N VAL 147.A O no hydrogen 2.997 N/A CYS 152.A SG GLY 153.A O no hydrogen 3.605 N/A GLY 153.A N ILE 122.A O no hydrogen 2.820 N/A ILE 154.A N ARG 184.A O no hydrogen 2.954 N/A HIS 155.A N VAL 124.A O no hydrogen 2.919 N/A HIS 155.A ND1 SER 89.A OG no hydrogen 2.671 N/A LEU 156.A N.A TYR 187.A O no hydrogen 2.784 N/A LEU 156.A N.B TYR 187.A O no hydrogen 2.749 N/A ASP 157.A N ASN 126.A OD1 no hydrogen 2.861 N/A VAL 158.A N.A HIS 189.A O no hydrogen 3.131 N/A VAL 158.A N.B HIS 189.A O no hydrogen 3.190 N/A ASN 159.A N ASP 157.A OD1 no hydrogen 2.848 N/A ASN 160.A N ASP 157.A OD1 no hydrogen 3.049 N/A ASN 160.A ND2 ASN 126.A O no hydrogen 2.774 N/A TYR 162.A N VAL 158.A O.A no hydrogen 3.322 N/A TYR 162.A N VAL 158.A O.B no hydrogen 3.392 N/A VAL 163.A N ASN 159.A O no hydrogen 2.871 N/A ASN 164.A N ASN 160.A O no hydrogen 3.109 N/A ASN 164.A ND2 THR 127.A O no hydrogen 3.015 N/A ASN 164.A ND2 GLU 139.A OE1 no hydrogen 2.649 N/A ALA 165.A N ILE 161.A O no hydrogen 3.119 N/A VAL 166.A N TYR 162.A O no hydrogen 2.900 N/A ASN 167.A N VAL 163.A O no hydrogen 2.906 N/A HIS 168.A N ASN 164.A O no hydrogen 3.131 N/A HIS 168.A NE2 TYR 129.A O no hydrogen 2.891 N/A GLY 169.A N ALA 165.A O no hydrogen 3.002 N/A HIS 174.A N ASP 172.A OD1 no hydrogen 3.013 N/A PHE 176.A N ASP 172.A O no hydrogen 2.931 N/A ILE 177.A N PRO 173.A O no hydrogen 3.184 N/A ASP 178.A N HIS 174.A O no hydrogen 3.046 N/A ASN 179.A N VAL 175.A O no hydrogen 3.120 N/A ASN 179.A N PHE 176.A O no hydrogen 3.238 N/A ASN 179.A ND2 VAL 175.A O no hydrogen 2.526 N/A VAL 180.A N PHE 176.A O no hydrogen 2.960 N/A ASP 181.A N ASN 144.A OD1 no hydrogen 2.955 N/A ARG 184.A N ASP 181.A O no hydrogen 3.012 N/A ARG 184.A NE ASP 181.A OD2 no hydrogen 2.887 N/A ARG 184.A NH1 ASN 151.A OD1 no hydrogen 3.093 N/A ARG 184.A NH1 CYS 152.A O no hydrogen 2.905 N/A ARG 184.A NH2 ASN 151.A OD1 no hydrogen 3.455 N/A VAL 185.A N LEU 182.A O no hydrogen 3.069 N/A ASN 186.A N ILE 154.A O no hydrogen 3.156 N/A TYR 187.A OH GLU 29.A OE1 no hydrogen 2.603 N/A ILE 188.A N PRO 209.A O no hydrogen 2.942 N/A HIS 189.A N LEU 156.A O.A no hydrogen 2.959 N/A HIS 189.A N LEU 156.A O.B no hydrogen 2.790 N/A HIS 189.A NE2 GLU 29.A OE1 no hydrogen 2.715 N/A ILE 190.A N LEU 211.A O no hydrogen 3.155 N/A ALA 191.A N ASN 159.A OD1 no hydrogen 2.673 N/A ASP 196.A N GLY 192.A O no hydrogen 3.377 N/A LEU 197.A N THR 193.A O no hydrogen 3.287 N/A LEU 198.A N VAL 194.A O no hydrogen 3.186 N/A GLU 199.A N TRP 195.A O no hydrogen 3.164 N/A TYR 200.A N ASP 196.A O no hydrogen 2.883 N/A TYR 200.A OH ASP 178.A OD1 no hydrogen 2.660 N/A TYR 200.A OH ASP 178.A OD2 no hydrogen 3.170 N/A THR 201.A N LEU 197.A O no hydrogen 3.063 N/A THR 201.A OG1 LEU 197.A O no hydrogen 2.609 N/A TYR 202.A N LEU 198.A O no hydrogen 2.843 N/A TYR 202.A OH THR 210.A OG1 no hydrogen 2.666 N/A ALA 203.A N GLU 199.A O no hydrogen 2.933 N/A ARG 204.A N THR 201.A O no hydrogen 2.874 N/A ARG 204.A NH1 TYR 200.A O no hydrogen 3.024 N/A LEU 205.A N THR 201.A O no hydrogen 2.975 N/A HIS 207.A NE2 VAL 185.A O no hydrogen 2.857 N/A THR 210.A N GLY 4.A O no hydrogen 2.870 N/A THR 210.A OG1 TYR 202.A OH no hydrogen 2.666 N/A THR 210.A OG1 PRO 208.A O no hydrogen 3.144 N/A LEU 211.A N ILE 188.A O no hydrogen 3.007 N/A LEU 212.A N GLY 6.A O no hydrogen 3.014 N/A GLU 213.A N ILE 190.A O no hydrogen 2.885 N/A LEU 221.A N PRO 217.A O no hydrogen 3.280 N/A CYS 222.A N PHE 218.A O no hydrogen 2.911 N/A CYS 222.A SG PHE 218.A O no hydrogen 3.579 N/A LYS 223.A N GLU 219.A O no hydrogen 2.992 N/A GLU 224.A N LYS 220.A O no hydrogen 2.996 N/A VAL 225.A N LEU 221.A O no hydrogen 3.036 N/A ASP 226.A N CYS 222.A O no hydrogen 3.005 N/A ILE 227.A N LYS 223.A O no hydrogen 3.353 N/A ILE 228.A N GLU 224.A O no hydrogen 3.260 N/A HIS 229.A N VAL 225.A O no hydrogen 3.003 N/A HIS 229.A ND1 GLN 232.A OE1 no hydrogen 2.867 N/A GLN 230.A N ASP 226.A O no hydrogen 2.812 N/A LEU 231.A N ILE 227.A O no hydrogen 3.017 N/A GLN 232.A N ILE 228.A O no hydrogen 2.975 N/A GLN 232.A NE2 GLY 4.A O no hydrogen 2.985 N/A GLN 233.A N HIS 229.A O no hydrogen 3.005 N/A LYS 234.A N GLN 230.A O no hydrogen 3.064 N/A LYS 234.A NZ GLU 199.A OE1 no hydrogen 3.053 N/A TYR 235.A N LEU 231.A O no hydrogen 3.354 N/A TYR 235.A OH GLU 199.A OE1 no hydrogen 2.627 N/A VAL 236.A N GLN 232.A O no hydrogen 2.808 N/A LYS 237.A N GLN 233.A O no hydrogen 3.070 N/A LYS 238.A N LYS 234.A O no hydrogen 3.000 N/A ARG 239.A N TYR 235.A O no hydrogen 3.111 N/A ARG 239.A NE TYR 202.A O no hydrogen 3.368 N/A ARG 239.A NH2 TYR 202.A O no hydrogen 3.214 N/A ARG 239.A NH2 LEU 205.A O no hydrogen 2.340 N/A LEU 241.A N VAL 236.A O no hydrogen 3.138 N/A ILE 246.A N ARG 2.A O no hydrogen 2.773 N/A