Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pba_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N ASN 2.A OD1 no hydrogen 3.329 N/A SER 5.A OG ASN 2.A O no hydrogen 3.067 N/A ALA 6.A N ASN 2.A O no hydrogen 2.803 N/A ASP 7.A N PRO 3.A O no hydrogen 3.139 N/A LEU 8.A N GLU 4.A O no hydrogen 3.185 N/A ARG 9.A N SER 5.A O no hydrogen 2.788 N/A ARG 9.A NH1 GLN 206.A OE1 no hydrogen 2.828 N/A ARG 9.A NH2 GLN 206.A OE1 no hydrogen 3.444 N/A ALA 10.A N ALA 6.A O no hydrogen 3.122 N/A LEU 11.A N ASP 7.A O no hydrogen 3.020 N/A ALA 12.A N LEU 8.A O no hydrogen 2.859 N/A LYS 13.A N ARG 9.A O no hydrogen 2.838 N/A HIS 14.A N ALA 10.A O no hydrogen 2.908 N/A HIS 14.A NE2 SER 88.A O no hydrogen 2.909 N/A LEU 15.A N LEU 11.A O no hydrogen 2.936 N/A TYR 16.A N ALA 12.A O no hydrogen 2.987 N/A ASP 17.A N LYS 13.A O no hydrogen 3.138 N/A SER 18.A N HIS 14.A O no hydrogen 3.139 N/A SER 18.A OG HIS 14.A O no hydrogen 2.795 N/A SER 18.A OG SER 88.A OG no hydrogen 3.119 N/A TYR 19.A N LEU 15.A O no hydrogen 2.847 N/A TYR 19.A OH ASP 167.A OD1 no hydrogen 2.792 N/A ILE 20.A N TYR 16.A O no hydrogen 2.942 N/A LYS 21.A N ASP 17.A O no hydrogen 3.151 N/A LYS 21.A NZ ASP 17.A OD1 no hydrogen 3.549 N/A LYS 21.A NZ ASP 17.A OD2 no hydrogen 2.794 N/A SER 22.A N SER 18.A O no hydrogen 2.914 N/A SER 22.A N TYR 19.A O no hydrogen 3.085 N/A SER 22.A OG SER 18.A O no hydrogen 2.749 N/A PHE 23.A N TYR 19.A O no hydrogen 3.010 N/A LYS 27.A N ASP 167.A OD1 no hydrogen 2.958 N/A LYS 27.A NZ LEU 165.A O no hydrogen 2.972 N/A ALA 28.A N ASP 167.A OD2 no hydrogen 3.021 N/A LYS 29.A N THR 26.A OG1 no hydrogen 3.185 N/A LYS 29.A NZ ASP 40.A OD1 no hydrogen 2.655 N/A ALA 30.A N THR 26.A O no hydrogen 2.924 N/A ARG 31.A N LYS 27.A O no hydrogen 2.795 N/A ARG 31.A NH1 MET 120.A O no hydrogen 3.312 N/A ARG 31.A NH2 MET 120.A O no hydrogen 2.796 N/A ALA 32.A N ALA 28.A O no hydrogen 3.129 N/A ILE 33.A N LYS 29.A O no hydrogen 2.960 N/A LEU 34.A N ALA 30.A O no hydrogen 2.937 N/A THR 35.A N ARG 31.A O no hydrogen 3.101 N/A THR 35.A OG1 ARG 31.A O no hydrogen 2.828 N/A LYS 37.A N ALA 32.A O no hydrogen 3.038 N/A LYS 37.A NZ THR 35.A OG1 no hydrogen 3.290 N/A THR 39.A OG1 ASP 40.A OD2 no hydrogen 3.111 N/A ASP 40.A N LYS 37.A O no hydrogen 3.457 N/A LYS 41.A NZ THR 38.A O no hydrogen 3.344 N/A PHE 44.A N GLN 131.A O no hydrogen 2.981 N/A ILE 46.A N PHE 133.A O no hydrogen 2.720 N/A TYR 47.A N SER 51.A OG no hydrogen 3.208 N/A ASP 48.A N SER 51.A OG no hydrogen 3.163 N/A SER 51.A N ASP 48.A OD1 no hydrogen 3.123 N/A SER 51.A OG ASP 48.A O no hydrogen 3.036 N/A SER 51.A OG ASP 48.A OD1 no hydrogen 2.734 N/A LEU 52.A N ASP 48.A O no hydrogen 3.048 N/A MET 53.A N MET 49.A O no hydrogen 2.923 N/A MET 54.A N ASN 50.A O no hydrogen 2.706 N/A GLY 55.A N SER 51.A O no hydrogen 2.658 N/A ASP 57.A N MET 54.A O no hydrogen 2.968 N/A LYS 58.A N GLY 55.A O no hydrogen 2.836 N/A ARG 66.A N GLU 62.A O no hydrogen 3.220 N/A ARG 66.A NH1 GLU 56.A OE2 no hydrogen 2.731 N/A ILE 67.A N VAL 63.A O no hydrogen 2.933 N/A PHE 68.A N ALA 64.A O no hydrogen 3.172 N/A GLN 69.A N ILE 65.A O no hydrogen 2.932 N/A GLN 69.A NE2 SER 250.A O no hydrogen 3.470 N/A GLY 70.A N ARG 66.A O no hydrogen 3.182 N/A CYS 71.A N ILE 67.A O no hydrogen 3.183 N/A CYS 71.A SG ILE 67.A O no hydrogen 3.500 N/A GLN 72.A N PHE 68.A O no hydrogen 3.036 N/A PHE 73.A N GLN 69.A O no hydrogen 3.074 N/A ARG 74.A N GLY 70.A O no hydrogen 3.100 N/A ARG 74.A NH1 ARG 74.A O no hydrogen 3.376 N/A ARG 74.A NH1 GLU 81.A OE1 no hydrogen 3.566 N/A SER 75.A N CYS 71.A O no hydrogen 2.859 N/A SER 75.A OG CYS 71.A O no hydrogen 3.401 N/A VAL 76.A N GLN 72.A O no hydrogen 3.034 N/A GLU 77.A N PHE 73.A O no hydrogen 3.234 N/A ALA 78.A N ARG 74.A O no hydrogen 3.020 N/A VAL 79.A N SER 75.A O no hydrogen 2.821 N/A GLN 80.A N VAL 76.A O no hydrogen 3.183 N/A GLU 81.A N GLU 77.A O no hydrogen 3.053 N/A ILE 82.A N ALA 78.A O no hydrogen 2.824 N/A THR 83.A N VAL 79.A O no hydrogen 2.818 N/A THR 83.A OG1 VAL 79.A O no hydrogen 2.948 N/A GLU 84.A N GLN 80.A O no hydrogen 3.028 N/A TYR 85.A N GLU 81.A O no hydrogen 2.857 N/A TYR 85.A OH ALA 171.A O no hydrogen 2.611 N/A ALA 86.A N ILE 82.A O no hydrogen 2.711 N/A LYS 87.A N THR 83.A O no hydrogen 3.243 N/A SER 88.A N TYR 85.A O no hydrogen 3.114 N/A SER 88.A OG TYR 85.A O no hydrogen 3.008 N/A ILE 89.A N ALA 86.A O no hydrogen 2.841 N/A PHE 92.A N ILE 89.A O no hydrogen 2.908 N/A ASN 94.A N GLY 91.A O no hydrogen 3.222 N/A LEU 95.A N PHE 92.A O no hydrogen 3.199 N/A ASN 98.A N ASP 96.A OD1 no hydrogen 2.965 N/A ASN 98.A ND2 ASP 96.A OD1 no hydrogen 2.761 N/A GLN 100.A N ASP 96.A O no hydrogen 3.023 N/A VAL 101.A N LEU 97.A O no hydrogen 3.005 N/A THR 102.A N ASN 98.A O no hydrogen 2.988 N/A THR 102.A OG1 ASN 98.A O no hydrogen 3.253 N/A LEU 103.A N ASP 99.A O no hydrogen 2.750 N/A LEU 104.A N GLN 100.A O no hydrogen 3.072 N/A LYS 105.A N VAL 101.A O no hydrogen 2.907 N/A LYS 105.A NZ ILE 258.A O no hydrogen 3.184 N/A LYS 105.A NZ LYS 260.A O no hydrogen 2.771 N/A TYR 106.A N THR 102.A O no hydrogen 3.334 N/A TYR 106.A OH ASP 261.A O no hydrogen 3.379 N/A GLY 107.A N LEU 104.A O no hydrogen 3.131 N/A VAL 108.A N LEU 104.A O no hydrogen 3.028 N/A HIS 109.A NE2 TYR 259.A OH no hydrogen 3.148 N/A ILE 111.A N GLY 107.A O no hydrogen 3.156 N/A ILE 112.A N VAL 108.A O no hydrogen 2.752 N/A TYR 113.A N HIS 109.A O no hydrogen 3.134 N/A THR 114.A N GLU 110.A O no hydrogen 3.322 N/A THR 114.A OG1 GLU 110.A O no hydrogen 2.711 N/A MET 115.A N ILE 111.A O no hydrogen 2.953 N/A LEU 116.A N ILE 112.A O no hydrogen 2.725 N/A ALA 117.A N TYR 113.A O no hydrogen 3.333 N/A SER 118.A N MET 115.A O no hydrogen 3.032 N/A LEU 119.A N LEU 116.A O no hydrogen 2.877 N/A MET 120.A N ALA 117.A O no hydrogen 3.228 N/A ASN 121.A N GLY 124.A O no hydrogen 2.981 N/A ASP 123.A N ASN 121.A OD1 no hydrogen 2.743 N/A GLY 124.A N ASN 121.A O no hydrogen 3.111 N/A GLY 124.A N ASN 121.A OD1 no hydrogen 2.999 N/A VAL 125.A N MET 134.A O no hydrogen 2.917 N/A LEU 126.A N LEU 119.A O no hydrogen 2.830 N/A ILE 127.A N GLY 132.A O no hydrogen 2.950 N/A SER 128.A OG GLN 131.A OE1 no hydrogen 3.028 N/A GLN 131.A N SER 128.A O no hydrogen 3.161 N/A GLY 132.A N ILE 127.A O no hydrogen 2.922 N/A PHE 133.A N PHE 44.A O no hydrogen 2.890 N/A MET 134.A N VAL 125.A O no hydrogen 2.939 N/A THR 135.A N ILE 46.A O no hydrogen 2.979 N/A THR 135.A OG1 ILE 46.A O no hydrogen 3.316 N/A ARG 136.A N ASP 123.A O no hydrogen 2.849 N/A ARG 136.A NE GLU 151.A OE1 no hydrogen 3.081 N/A ARG 136.A NE GLU 151.A OE2 no hydrogen 3.240 N/A ARG 136.A NH1 LYS 122.A O no hydrogen 3.384 N/A ARG 136.A NH2 GLU 151.A OE2 no hydrogen 2.569 N/A PHE 138.A N THR 135.A OG1 no hydrogen 3.423 N/A LEU 139.A N THR 135.A O no hydrogen 3.337 N/A LYS 140.A N ARG 136.A O no hydrogen 2.903 N/A LYS 140.A NZ GLU 137.A OE1 no hydrogen 3.123 N/A LYS 140.A NZ GLU 137.A OE2 no hydrogen 2.818 N/A SER 141.A N GLU 137.A O no hydrogen 3.024 N/A SER 141.A N PHE 138.A O no hydrogen 3.303 N/A SER 141.A OG PHE 138.A O no hydrogen 2.812 N/A LEU 142.A N LEU 139.A O no hydrogen 3.153 N/A ARG 143.A NE GLU 62.A OE1 no hydrogen 3.428 N/A ARG 143.A NE GLU 62.A OE2 no hydrogen 2.475 N/A ARG 143.A NH1 GLU 246.A OE2 no hydrogen 3.531 N/A ARG 143.A NH2 GLU 62.A OE1 no hydrogen 3.475 N/A ARG 143.A NH2 GLU 246.A OE2 no hydrogen 2.796 N/A GLY 147.A N ARG 143.A O no hydrogen 2.948 N/A GLY 147.A N LYS 144.A O no hydrogen 3.070 N/A PHE 149.A N PHE 146.A O no hydrogen 3.489 N/A LYS 153.A NZ PHE 149.A O no hydrogen 2.823 N/A PHE 154.A N MET 150.A O no hydrogen 3.166 N/A GLU 155.A N GLU 151.A O no hydrogen 3.005 N/A PHE 156.A N PRO 152.A O no hydrogen 3.119 N/A ALA 157.A N LYS 153.A O no hydrogen 2.895 N/A VAL 158.A N PHE 154.A O no hydrogen 3.138 N/A PHE 160.A N PHE 156.A O no hydrogen 2.968 N/A ASN 161.A N ALA 157.A O no hydrogen 2.782 N/A ASN 161.A ND2 ALA 117.A O no hydrogen 2.909 N/A ALA 162.A N LYS 159.A O no hydrogen 3.142 N/A LEU 163.A N PHE 160.A O no hydrogen 2.922 N/A GLU 164.A N ASN 161.A O no hydrogen 3.172 N/A ASP 166.A N ASP 169.A OD2 no hydrogen 3.008 N/A SER 168.A N ASP 166.A OD1 no hydrogen 3.267 N/A SER 168.A OG ASP 166.A OD1 no hydrogen 2.716 N/A ASP 169.A N ASP 166.A O no hydrogen 2.995 N/A ASP 169.A N ASP 166.A OD1 no hydrogen 3.472 N/A LEU 170.A N ASP 166.A O no hydrogen 3.093 N/A ALA 171.A N ASP 167.A O no hydrogen 2.894 N/A PHE 173.A N ASP 169.A O no hydrogen 3.084 N/A ILE 174.A N LEU 170.A O no hydrogen 2.884 N/A VAL 176.A N ILE 172.A O no hydrogen 3.024 N/A ILE 177.A N PHE 173.A O no hydrogen 3.172 N/A ILE 178.A N ILE 174.A O no hydrogen 3.112 N/A LEU 179.A N ALA 175.A O no hydrogen 3.115 N/A SER 180.A N ILE 178.A O no hydrogen 3.027 N/A SER 180.A OG ILE 177.A O no hydrogen 2.746 N/A ARG 183.A N SER 180.A O no hydrogen 3.488 N/A ARG 183.A NH1 GLU 110.A OE2 no hydrogen 3.075 N/A ARG 183.A NH2 GLU 110.A OE1 no hydrogen 2.817 N/A ARG 183.A NH2 ILE 177.A O no hydrogen 3.194 N/A LEU 187.A N ASP 99.A OD1 no hydrogen 2.901 N/A ASN 188.A N ASP 99.A OD2 no hydrogen 3.057 N/A GLU 193.A N VAL 189.A O no hydrogen 2.872 N/A ASP 194.A N LYS 190.A O no hydrogen 3.169 N/A ILE 195.A N PRO 191.A O no hydrogen 3.207 N/A GLN 196.A N ILE 192.A O no hydrogen 3.020 N/A ASP 197.A N GLU 193.A O no hydrogen 2.985 N/A ASN 198.A N ASP 194.A O no hydrogen 3.296 N/A LEU 199.A N ILE 195.A O no hydrogen 3.007 N/A LEU 200.A N GLN 196.A O no hydrogen 2.723 N/A GLN 201.A N ASP 197.A O no hydrogen 3.014 N/A ALA 202.A N ASN 198.A O no hydrogen 2.989 N/A LEU 203.A N LEU 199.A O no hydrogen 2.715 N/A GLU 204.A N LEU 200.A O no hydrogen 2.954 N/A LEU 205.A N GLN 201.A O no hydrogen 3.248 N/A GLN 206.A N ALA 202.A O no hydrogen 2.913 N/A GLN 206.A NE2 ASP 169.A OD1 no hydrogen 2.840 N/A LEU 207.A N LEU 203.A O no hydrogen 2.886 N/A LYS 208.A N GLU 204.A O no hydrogen 3.195 N/A LEU 209.A N LEU 205.A O no hydrogen 3.007 N/A ASN 210.A N GLN 206.A O no hydrogen 2.831 N/A ASN 210.A ND2 ASP 166.A OD1 no hydrogen 3.320 N/A ASN 210.A ND2 ASP 166.A OD2 no hydrogen 3.121 N/A ASN 210.A ND2 ASP 169.A OD1 no hydrogen 2.905 N/A ASN 210.A ND2 ASP 169.A OD2 no hydrogen 2.939 N/A HIS 211.A N LEU 207.A O no hydrogen 2.751 N/A HIS 211.A NE2 GLU 164.A O no hydrogen 2.882 N/A GLU 213.A N GLU 213.A OE1 no hydrogen 2.595 N/A SER 214.A N HIS 211.A O no hydrogen 2.874 N/A LYS 220.A N GLN 216.A O no hydrogen 2.810 N/A LYS 220.A NZ SER 215.A O no hydrogen 2.764 N/A LEU 221.A N LEU 217.A O no hydrogen 2.605 N/A LEU 222.A N PHE 218.A O no hydrogen 2.986 N/A GLN 223.A N ALA 219.A O no hydrogen 3.204 N/A LYS 224.A N LEU 221.A O no hydrogen 3.065 N/A MET 225.A N LEU 222.A O no hydrogen 3.159 N/A THR 226.A N GLN 223.A O no hydrogen 3.365 N/A THR 226.A OG1 GLN 223.A O no hydrogen 3.293 N/A LEU 228.A N LYS 224.A O no hydrogen 3.140 N/A ARG 229.A N MET 225.A O no hydrogen 3.073 N/A ARG 229.A NH2 ASP 182.A OD2 no hydrogen 2.897 N/A GLN 230.A N THR 226.A O no hydrogen 3.198 N/A ILE 231.A N ASP 227.A O no hydrogen 2.968 N/A VAL 232.A N LEU 228.A O no hydrogen 3.126 N/A THR 233.A N ARG 229.A O no hydrogen 3.056 N/A THR 233.A OG1 ARG 229.A O no hydrogen 3.267 N/A GLU 234.A N GLN 230.A O no hydrogen 3.098 N/A HIS 235.A N ILE 231.A O no hydrogen 2.913 N/A VAL 236.A N VAL 232.A O no hydrogen 3.031 N/A GLN 237.A N THR 233.A O no hydrogen 2.976 N/A LEU 238.A N GLU 234.A O no hydrogen 2.843 N/A LEU 239.A N HIS 235.A O no hydrogen 2.856 N/A GLN 240.A N VAL 236.A O no hydrogen 2.877 N/A VAL 241.A N GLN 237.A O no hydrogen 3.128 N/A ILE 242.A N LEU 238.A O no hydrogen 3.049 N/A LYS 243.A N LEU 239.A O no hydrogen 3.103 N/A LYS 243.A NZ GLN 240.A O no hydrogen 3.110 N/A LYS 244.A N VAL 241.A O no hydrogen 3.171 N/A THR 245.A N VAL 241.A O no hydrogen 3.148 N/A THR 245.A OG1 VAL 241.A O no hydrogen 3.290 N/A GLU 246.A N ILE 242.A O no hydrogen 2.643 N/A MET 249.A N GLU 246.A O no hydrogen 3.120 N/A LEU 254.A N HIS 252.A ND1 no hydrogen 3.203 N/A LEU 255.A N HIS 252.A O no hydrogen 3.017 N/A GLN 256.A N HIS 252.A O no hydrogen 2.911 N/A GLU 257.A N PRO 253.A O no hydrogen 2.763 N/A ILE 258.A N LEU 254.A O no hydrogen 3.434 N/A TYR 259.A N LEU 255.A O no hydrogen 3.002 N/A TYR 259.A OH HIS 109.A NE2 no hydrogen 3.148 N/A LYS 260.A NZ GLU 257.A O no hydrogen 3.403 N/A LYS 260.A NZ LYS 260.A O no hydrogen 3.422 N/A LEU 262.A N TYR 259.A O no hydrogen 3.243 N/A