Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2a1a_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N GLY 1.A O no hydrogen 3.416 N/A THR 4.A OG1 ASP 77.A OD2 no hydrogen 2.469 N/A VAL 5.A N ASP 77.A OD1 no hydrogen 3.058 N/A ASP 6.A N THR 4.A OG1 no hydrogen 3.241 N/A PHE 9.A N ASP 6.A OD2 no hydrogen 2.798 N/A GLY 10.A N ASP 6.A O no hydrogen 3.515 N/A MET 11.A N LYS 7.A O no hydrogen 3.108 N/A ASP 12.A N ARG 8.A O no hydrogen 2.936 N/A ASP 12.A N PHE 9.A O no hydrogen 3.308 N/A PHE 13.A N GLY 10.A O no hydrogen 3.399 N/A LYS 14.A N LYS 31.A O no hydrogen 2.947 N/A GLU 17.A N LYS 29.A O no hydrogen 2.711 N/A ILE 19.A N VAL 27.A O no hydrogen 3.068 N/A GLY 20.A N VAL 27.A O no hydrogen 3.173 N/A SER 21.A OG GLY 22.A O no hydrogen 3.521 N/A GLY 22.A N GLY 25.A O no hydrogen 2.879 N/A GLN 26.A N ARG 43.A O no hydrogen 3.143 N/A GLN 26.A NE2 PRO 80.A O no hydrogen 2.855 N/A VAL 27.A N GLY 20.A O no hydrogen 2.845 N/A PHE 28.A N ILE 41.A O no hydrogen 2.722 N/A LYS 29.A N GLU 17.A O no hydrogen 2.691 N/A ALA 30.A N TYR 39.A O no hydrogen 3.076 N/A LYS 31.A N LYS 14.A O no hydrogen 2.993 N/A HIS 32.A N LYS 37.A O no hydrogen 3.051 N/A ARG 33.A N ASP 12.A O no hydrogen 2.922 N/A ARG 33.A NE GLY 10.A O no hydrogen 2.951 N/A ARG 33.A NH2 GLY 10.A O no hydrogen 2.732 N/A LYS 37.A N ASP 35.A OD1 no hydrogen 3.024 N/A TYR 39.A N ALA 30.A O no hydrogen 2.826 N/A TYR 39.A OH ASP 35.A OD2 no hydrogen 2.828 N/A VAL 40.A N MET 95.A O no hydrogen 3.190 N/A ILE 41.A N PHE 28.A O no hydrogen 2.993 N/A LYS 42.A N ILE 93.A O no hydrogen 2.788 N/A LYS 42.A NZ GLU 54.A OE1 no hydrogen 2.676 N/A LYS 42.A NZ GLU 54.A OE2 no hydrogen 3.299 N/A LYS 42.A NZ ASP 161.A OD1 no hydrogen 2.920 N/A ARG 43.A N GLN 26.A O no hydrogen 2.883 N/A ARG 43.A NE ASP 77.A OD2 no hydrogen 3.213 N/A ARG 43.A NH1 GLN 26.A OE1 no hydrogen 2.435 N/A ARG 43.A NH2 HIS 3.A O no hydrogen 2.618 N/A ARG 43.A NH2 ASP 77.A OD1 no hydrogen 3.074 N/A ARG 43.A NH2 ASP 77.A OD2 no hydrogen 2.940 N/A VAL 44.A N LEU 91.A O no hydrogen 2.922 N/A LYS 45.A NZ ASP 79.A OD2 no hydrogen 2.952 N/A TYR 46.A N LYS 89.A O no hydrogen 2.936 N/A TYR 46.A OH GLU 52.A OE2 no hydrogen 2.772 N/A LYS 50.A N ASN 48.A OD1 no hydrogen 2.811 N/A ALA 51.A N ASN 48.A O no hydrogen 3.461 N/A GLU 52.A N GLU 49.A O no hydrogen 3.310 N/A ARG 53.A N LYS 50.A O no hydrogen 3.033 N/A VAL 55.A N GLU 52.A O no hydrogen 3.013 N/A LYS 56.A N GLU 52.A O no hydrogen 2.922 N/A LYS 56.A NZ GLU 52.A OE1 no hydrogen 3.069 N/A ALA 57.A N ARG 53.A O no hydrogen 2.754 N/A LEU 58.A N GLU 54.A O no hydrogen 2.925 N/A ALA 59.A N VAL 55.A O no hydrogen 2.851 N/A LYS 60.A N ALA 57.A O no hydrogen 2.754 N/A LEU 61.A N ALA 57.A O no hydrogen 2.970 N/A LEU 61.A N LEU 58.A O no hydrogen 3.007 N/A ASP 62.A N TYR 133.A OH no hydrogen 2.816 N/A ASN 65.A N HIS 63.A ND1 no hydrogen 2.894 N/A ILE 66.A N HIS 63.A O no hydrogen 3.204 N/A VAL 67.A N ILE 159.A O no hydrogen 3.085 N/A HIS 68.A N GLU 96.A OE2 no hydrogen 2.973 N/A ASN 70.A N GLN 94.A O no hydrogen 2.787 N/A CYS 72.A SG TYR 69.A OH no hydrogen 3.413 N/A TRP 73.A N PHE 92.A O no hydrogen 2.833 N/A TRP 73.A NE1 ASP 6.A OD2 no hydrogen 3.105 N/A GLY 75.A N CYS 90.A O no hydrogen 2.938 N/A PHE 76.A N ASP 6.A OD1 no hydrogen 3.230 N/A ASP 77.A N THR 88.A O no hydrogen 3.338 N/A TYR 78.A N ASP 77.A OD1 no hydrogen 2.640 N/A ASP 79.A N SER 86.A O no hydrogen 2.920 N/A GLU 81.A N ASP 79.A OD1 no hydrogen 2.811 N/A THR 82.A N ASP 79.A O no hydrogen 3.156 N/A THR 82.A OG1 ASP 79.A O no hydrogen 3.299 N/A ARG 85.A NH1 THR 82.A O no hydrogen 3.307 N/A THR 88.A N ASP 77.A O no hydrogen 3.264 N/A CYS 90.A N GLY 75.A O no hydrogen 2.843 N/A CYS 90.A SG TYR 78.A O no hydrogen 3.784 N/A CYS 90.A SG THR 88.A O no hydrogen 3.615 N/A LEU 91.A N VAL 44.A O no hydrogen 2.709 N/A PHE 92.A N TRP 73.A O no hydrogen 2.835 N/A ILE 93.A N LYS 42.A O no hydrogen 2.864 N/A GLN 94.A N GLY 71.A O no hydrogen 2.771 N/A MET 95.A N VAL 40.A O no hydrogen 2.704 N/A GLU 96.A N HIS 68.A O no hydrogen 3.009 N/A CYS 98.A SG GLU 96.A O no hydrogen 4.013 N/A GLY 101.A N CYS 98.A O no hydrogen 3.226 N/A THR 102.A N GLN 105.A OE1 no hydrogen 2.608 N/A THR 102.A OG1 GLN 105.A OE1 no hydrogen 3.148 N/A LEU 103.A N ILE 149.A O no hydrogen 2.850 N/A GLU 104.A N PRO 146.A O no hydrogen 2.907 N/A GLN 105.A N THR 102.A OG1 no hydrogen 3.141 N/A TRP 106.A N THR 102.A O no hydrogen 2.947 N/A ILE 107.A N LEU 103.A O no hydrogen 2.809 N/A GLU 108.A N GLU 104.A O no hydrogen 3.013 N/A LYS 109.A N GLN 105.A O no hydrogen 2.942 N/A ARG 110.A N TRP 106.A O no hydrogen 2.993 N/A ARG 110.A N ILE 107.A O no hydrogen 2.976 N/A ARG 110.A NH2 GLU 208.A O no hydrogen 3.552 N/A ARG 111.A N GLU 108.A O no hydrogen 3.172 N/A ARG 111.A NE GLU 108.A OE2 no hydrogen 2.815 N/A ARG 111.A NH1 CYS 213.A O no hydrogen 2.702 N/A ARG 111.A NH1 THR 219.A OG1 no hydrogen 3.008 N/A ARG 111.A NH2 GLU 108.A OE1 no hydrogen 3.448 N/A ARG 111.A NH2 GLU 108.A OE2 no hydrogen 3.525 N/A GLU 113.A N ARG 110.A O no hydrogen 2.787 N/A LYS 117.A NZ GLU 239.A OE1 no hydrogen 3.324 N/A LYS 117.A NZ GLU 239.A OE2 no hydrogen 2.590 N/A LEU 119.A N ASP 116.A OD1 no hydrogen 2.851 N/A ALA 120.A N ASP 116.A O no hydrogen 3.166 N/A LEU 121.A N LYS 117.A O no hydrogen 2.877 N/A GLU 122.A N VAL 118.A O no hydrogen 3.118 N/A LEU 123.A N LEU 119.A O no hydrogen 2.894 N/A PHE 124.A N ALA 120.A O no hydrogen 2.713 N/A GLU 125.A N LEU 121.A O no hydrogen 2.751 N/A GLN 126.A N GLU 122.A O no hydrogen 3.258 N/A GLN 126.A NE2 GLU 122.A O no hydrogen 3.593 N/A GLN 126.A NE2 GLU 122.A OE1 no hydrogen 3.341 N/A GLN 126.A NE2 LYS 155.A O no hydrogen 3.296 N/A ILE 127.A N LEU 123.A O no hydrogen 2.999 N/A THR 128.A N PHE 124.A O no hydrogen 2.833 N/A THR 128.A OG1 PHE 124.A O no hydrogen 2.954 N/A LYS 129.A N GLU 125.A O no hydrogen 2.845 N/A LYS 129.A NZ GLU 125.A OE1 no hydrogen 3.556 N/A GLY 130.A N GLN 126.A O no hydrogen 3.236 N/A VAL 131.A N ILE 127.A O no hydrogen 2.957 N/A ASP 132.A N THR 128.A O no hydrogen 2.789 N/A TYR 133.A N LYS 129.A O no hydrogen 2.800 N/A ILE 134.A N GLY 130.A O no hydrogen 2.891 N/A HIS 135.A N VAL 131.A O no hydrogen 2.776 N/A HIS 135.A NE2 ASP 198.A OD1 no hydrogen 2.652 N/A SER 136.A N ASP 132.A O no hydrogen 3.206 N/A SER 136.A OG ASP 132.A O no hydrogen 3.530 N/A SER 136.A OG TYR 133.A O no hydrogen 2.807 N/A LYS 137.A N TYR 133.A O no hydrogen 3.110 N/A LYS 138.A N HIS 135.A O no hydrogen 3.144 N/A LEU 139.A N ILE 134.A O no hydrogen 3.215 N/A ILE 140.A N THR 166.A O no hydrogen 2.798 N/A ASN 141.A N ASP 198.A OD1 no hydrogen 3.285 N/A ARG 142.A NE TYR 193.A OH no hydrogen 3.404 N/A ARG 142.A NH2 LEU 164.A O no hydrogen 2.646 N/A SER 147.A OG ASN 148.A OD1 no hydrogen 3.514 N/A ASN 148.A N LYS 145.A O no hydrogen 2.926 N/A ASN 148.A ND2 ASP 143.A O no hydrogen 2.955 N/A ASN 148.A ND2 ASP 143.A OD2 no hydrogen 3.333 N/A ILE 149.A N PRO 146.A O no hydrogen 3.511 N/A PHE 150.A N LYS 158.A O no hydrogen 2.774 N/A LEU 151.A N GLY 101.A O no hydrogen 2.843 N/A VAL 152.A N GLN 156.A O no hydrogen 2.856 N/A GLN 156.A N ASP 153.A O no hydrogen 3.153 N/A VAL 157.A N GLN 126.A OE1 no hydrogen 2.775 N/A LYS 158.A N PHE 150.A O no hydrogen 2.918 N/A LYS 158.A NZ GLU 96.A OE1 no hydrogen 2.979 N/A LYS 158.A NZ GLU 96.A OE2 no hydrogen 2.933 N/A ILE 159.A N ASN 65.A O no hydrogen 2.933 N/A GLY 160.A N ASN 148.A O no hydrogen 2.934 N/A PHE 162.A N GLU 54.A OE1 no hydrogen 3.382 N/A GLY 163.A N ASP 161.A OD2 no hydrogen 2.896 N/A VAL 165.A N PHE 162.A O no hydrogen 2.847 N/A THR 166.A N ILE 140.A O no hydrogen 2.941 N/A SER 167.A N THR 166.A OG1 no hydrogen 2.853 N/A SER 167.A OG LYS 169.A O no hydrogen 3.501 N/A LEU 168.A N LYS 138.A O no hydrogen 3.111 N/A ARG 174.A N GLN 191.A O no hydrogen 2.831 N/A ARG 174.A NH1 SER 167.A O no hydrogen 2.850 N/A ARG 174.A NH2 TYR 193.A O no hydrogen 2.681 N/A ARG 175.A NE GLN 191.A OE1 no hydrogen 3.113 N/A ARG 175.A NH2 GLN 191.A OE1 no hydrogen 3.541 N/A SER 176.A OG GLN 187.A O no hydrogen 3.424 N/A TYR 182.A OH GLU 208.A OE2 no hydrogen 2.348 N/A MET 183.A N LEU 180.A O no hydrogen 3.073 N/A SER 184.A OG GLU 186.A OE1 no hydrogen 3.351 N/A GLN 187.A N SER 184.A OG no hydrogen 3.401 N/A GLN 187.A NE2 ARG 142.A O no hydrogen 2.917 N/A ILE 188.A N SER 184.A O no hydrogen 3.095 N/A SER 189.A N PRO 185.A O no hydrogen 3.013 N/A SER 189.A OG PRO 185.A O no hydrogen 2.966 N/A SER 190.A OG ASP 192.A O no hydrogen 3.058 N/A ASP 192.A N SER 190.A OG no hydrogen 3.069 N/A GLY 194.A N GLU 196.A OE1 no hydrogen 2.961 N/A VAL 197.A N GLY 194.A O no hydrogen 3.464 N/A ASP 198.A N LYS 195.A O no hydrogen 2.947 N/A LEU 199.A N LYS 195.A O no hydrogen 3.278 N/A TYR 200.A N GLU 196.A O no hydrogen 2.667 N/A ALA 201.A N VAL 197.A O no hydrogen 3.354 N/A LEU 202.A N ASP 198.A O no hydrogen 2.754 N/A GLY 203.A N LEU 199.A O no hydrogen 3.100 N/A LEU 204.A N TYR 200.A O no hydrogen 3.225 N/A ILE 205.A N ALA 201.A O no hydrogen 2.924 N/A LEU 206.A N LEU 202.A O no hydrogen 2.753 N/A ALA 207.A N GLY 203.A O no hydrogen 2.798 N/A GLU 208.A N LEU 204.A O no hydrogen 2.941 N/A LEU 209.A N ILE 205.A O no hydrogen 2.806 N/A LEU 210.A N LEU 206.A O no hydrogen 2.982 N/A LEU 210.A N ALA 207.A O no hydrogen 3.095 N/A HIS 211.A N ALA 207.A O no hydrogen 3.239 N/A GLU 218.A N THR 215.A OG1 no hydrogen 3.058 N/A THR 219.A N THR 215.A O no hydrogen 2.897 N/A THR 219.A OG1 THR 215.A O no hydrogen 2.959 N/A SER 220.A N ALA 216.A O no hydrogen 2.844 N/A LYS 221.A N PHE 217.A O no hydrogen 3.331 N/A PHE 222.A N GLU 218.A O no hydrogen 2.901 N/A PHE 223.A N THR 219.A O no hydrogen 3.115 N/A THR 224.A N SER 220.A O no hydrogen 3.172 N/A THR 224.A OG1 SER 220.A O no hydrogen 3.298 N/A ASP 225.A N LYS 221.A O no hydrogen 2.992 N/A LEU 226.A N PHE 222.A O no hydrogen 3.228 N/A ARG 227.A N PHE 223.A O no hydrogen 2.774 N/A ARG 227.A NH2 MET 183.A O no hydrogen 2.296 N/A GLY 229.A N LEU 226.A O no hydrogen 2.671 N/A ASP 236.A N GLU 239.A OE1 no hydrogen 3.087 N/A LYS 238.A NZ ASP 236.A OD2 no hydrogen 2.760 N/A LYS 240.A N ASP 236.A O no hydrogen 2.992 N/A THR 241.A N LYS 237.A O no hydrogen 3.254 N/A THR 241.A OG1 LYS 237.A O no hydrogen 3.429 N/A THR 241.A OG1 LYS 238.A O no hydrogen 3.314 N/A LEU 242.A N LYS 238.A O no hydrogen 3.063 N/A LEU 243.A N GLU 239.A O no hydrogen 2.986 N/A GLN 244.A N LYS 240.A O no hydrogen 2.940 N/A LYS 245.A N THR 241.A O no hydrogen 3.324 N/A LYS 245.A NZ THR 241.A O no hydrogen 3.317 N/A LEU 246.A N LEU 242.A O no hydrogen 2.821 N/A LEU 247.A N LEU 243.A O no hydrogen 2.689 N/A SER 248.A N LYS 245.A O no hydrogen 3.420 N/A SER 248.A OG LYS 250.A O no hydrogen 3.392 N/A SER 248.A OG ASP 253.A OD2 no hydrogen 2.814 N/A LYS 250.A N SER 248.A OG no hydrogen 3.104 N/A ASP 253.A N LYS 250.A O no hydrogen 3.060 N/A ARG 254.A N PRO 251.A O no hydrogen 3.430 N/A ARG 254.A NE SER 248.A O no hydrogen 2.926 N/A ARG 254.A NH1 GLU 186.A OE1 no hydrogen 3.056 N/A ARG 254.A NH1 GLU 196.A O no hydrogen 3.016 N/A ARG 254.A NH2 GLU 186.A OE2 no hydrogen 2.478 N/A ARG 254.A NH2 SER 248.A O no hydrogen 3.129 N/A THR 257.A OG1 ASP 132.A OD1 no hydrogen 3.262 N/A GLU 259.A N ASN 256.A OD1 no hydrogen 3.157 N/A ILE 260.A N ASN 256.A O no hydrogen 2.935 N/A LEU 261.A N THR 257.A O no hydrogen 2.811 N/A ARG 262.A N SER 258.A O no hydrogen 3.032 N/A THR 263.A N GLU 259.A O no hydrogen 3.267 N/A THR 263.A OG1 GLU 259.A O no hydrogen 3.371 N/A LEU 264.A N ILE 260.A O no hydrogen 3.023 N/A THR 265.A OG1 LEU 261.A O no hydrogen 3.322 N/A VAL 266.A N THR 263.A O no hydrogen 3.186 N/A TRP 267.A N THR 263.A O no hydrogen 3.260 N/A LYS 268.A NZ GLU 125.A OE2 no hydrogen 3.402 N/A LYS 269.A N TRP 267.A O no hydrogen 2.711 N/A