Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3twl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 2.A N GLU 5.A OE1.A no hydrogen 2.642 N/A LEU 3.A N GLY 165.A O no hydrogen 2.954 N/A VAL 6.A N GLU 2.A O no hydrogen 3.148 N/A GLU 7.A N LEU 3.A O no hydrogen 2.806 N/A ALA 8.A N PRO 4.A O no hydrogen 2.853 N/A ALA 9.A N GLU 5.A O.A no hydrogen 3.160 N/A ALA 9.A N GLU 5.A O.B no hydrogen 3.140 N/A ARG 10.A N VAL 6.A O no hydrogen 2.935 N/A ARG 10.A NE GLU 7.A OE1 no hydrogen 3.013 N/A ARG 10.A NE GLU 7.A OE2 no hydrogen 3.246 N/A ARG 10.A NH1 GLU 14.A OE2 no hydrogen 2.917 N/A ARG 10.A NH1 ALA 54.A O no hydrogen 3.027 N/A ARG 10.A NH2 GLU 7.A OE2 no hydrogen 3.015 N/A ARG 11.A N GLU 7.A O no hydrogen 2.872 N/A ARG 11.A NE GLU 7.A OE2 no hydrogen 2.600 N/A ALA 12.A N ALA 8.A O no hydrogen 2.942 N/A ILE 13.A N ALA 9.A O no hydrogen 3.052 N/A GLU 14.A N ARG 10.A O no hydrogen 3.009 N/A GLU 15.A N ARG 11.A O no hydrogen 2.954 N/A ASN 16.A N ALA 12.A O no hydrogen 3.248 N/A ASN 16.A ND2 ALA 12.A O no hydrogen 3.057 N/A CYS 17.A N ILE 13.A O no hydrogen 2.804 N/A GLY 19.A N ILE 51.A O no hydrogen 2.983 N/A LYS 20.A NZ ASN 16.A O no hydrogen 2.696 N/A LYS 20.A NZ ASP 98.A OD1 no hydrogen 2.679 N/A LYS 21.A N ASP 97.A OD1 no hydrogen 3.133 N/A ILE 22.A N LYS 49.A O no hydrogen 2.742 N/A LYS 23.A N GLU 95.A O no hydrogen 2.834 N/A ARG 24.A N GLU 95.A O no hydrogen 3.357 N/A ARG 24.A NE GLU 95.A OE1 no hydrogen 2.696 N/A ARG 24.A NH2 GLU 95.A OE1 no hydrogen 2.944 N/A ILE 26.A N PHE 93.A O no hydrogen 2.815 N/A ALA 28.A N LYS 91.A O no hydrogen 2.980 N/A LYS 32.A N ASP 30.A OD1 no hydrogen 2.781 N/A LYS 32.A NZ ARG 109.A O no hydrogen 3.321 N/A VAL 33.A N ASP 30.A OD1 no hydrogen 2.883 N/A ILE 34.A N ASP 30.A O no hydrogen 2.982 N/A HIS 35.A N VAL 113.A O no hydrogen 2.902 N/A SER 38.A OG SER 40.A OG no hydrogen 3.185 N/A SER 40.A OG SER 38.A OG no hydrogen 3.185 N/A ASP 41.A N SER 38.A OG no hydrogen 3.084 N/A PHE 42.A N SER 38.A O no hydrogen 3.002 N/A GLN 43.A N PRO 39.A O no hydrogen 2.871 N/A GLN 43.A NE2 ILE 27.A O no hydrogen 3.542 N/A THR 44.A N SER 40.A O no hydrogen 2.980 N/A THR 44.A OG1 SER 40.A O no hydrogen 3.168 N/A SER 45.A N ASP 41.A O no hydrogen 2.957 N/A ILE 46.A N PHE 42.A O no hydrogen 3.370 N/A LEU 47.A N GLN 43.A O no hydrogen 3.286 N/A GLY 48.A N ILE 22.A O no hydrogen 2.847 N/A LYS 49.A N ILE 46.A O no hydrogen 3.166 N/A LYS 49.A NZ SER 67.A O no hydrogen 3.005 N/A LYS 49.A NZ SER 67.A OG no hydrogen 2.935 N/A THR 50.A N.A ASP 66.A OD2 no hydrogen 3.260 N/A THR 50.A N.B ASP 66.A OD2 no hydrogen 3.254 N/A THR 50.A OG1.A ASP 66.A OD1 no hydrogen 2.932 N/A ILE 52.A N GLU 64.A O no hydrogen 2.687 N/A SER 53.A N GLU 64.A O no hydrogen 3.285 N/A SER 53.A OG GLU 64.A OE1 no hydrogen 2.612 N/A ARG 55.A N TRP 62.A O no hydrogen 2.869 N/A ARG 56.A NE GLU 7.A OE1 no hydrogen 2.857 N/A ARG 56.A NH1 GLY 58.A O no hydrogen 2.908 N/A ARG 56.A NH1 ASP 131.A OD1 no hydrogen 2.711 N/A ARG 56.A NH2 ASP 131.A OD2 no hydrogen 3.115 N/A LYS 57.A N ASN 60.A O no hydrogen 3.012 N/A GLY 58.A N ASP 131.A OD1 no hydrogen 2.723 N/A LYS 59.A NZ GLN 160.A OE1 no hydrogen 3.510 N/A LYS 59.A NZ ILE 166.A O no hydrogen 2.867 N/A ASN 60.A N LYS 57.A O no hydrogen 2.995 N/A ASN 60.A ND2 LYS 57.A O no hydrogen 3.517 N/A LEU 61.A N PHE 73.A O no hydrogen 3.040 N/A TRP 62.A N ARG 55.A O no hydrogen 2.976 N/A LEU 63.A N PRO 71.A O no hydrogen 2.967 N/A GLU 64.A N SER 53.A O no hydrogen 2.882 N/A ASP 66.A N THR 50.A O.A no hydrogen 2.976 N/A ASP 66.A N THR 50.A O.B no hydrogen 2.949 N/A PHE 70.A N LEU 116.A O no hydrogen 2.734 N/A SER 72.A N ARG 114.A O no hydrogen 2.918 N/A PHE 73.A N LEU 61.A O no hydrogen 2.566 N/A GLN 74.A N LYS 112.A O no hydrogen 2.904 N/A ALA 80.A N THR 105.A O no hydrogen 3.070 N/A TYR 82.A N SER 103.A O no hydrogen 2.801 N/A LYS 84.A N GLU 101.A O no hydrogen 2.876 N/A TRP 85.A NE1 GLU 101.A OE1 no hydrogen 3.216 N/A TYR 89.A N SER 87.A OG no hydrogen 2.791 N/A SER 90.A N SER 87.A O no hydrogen 2.976 N/A SER 90.A OG PHE 92.A O no hydrogen 3.463 N/A SER 90.A OG SER 103.A OG no hydrogen 2.918 N/A LYS 91.A N PHE 104.A O no hydrogen 2.858 N/A LYS 91.A NZ ASP 30.A OD2 no hydrogen 2.827 N/A PHE 92.A N PHE 104.A O no hydrogen 3.331 N/A PHE 93.A N ILE 26.A O no hydrogen 2.974 N/A VAL 94.A N LEU 102.A O no hydrogen 2.965 N/A GLU 95.A N ARG 24.A O no hydrogen 2.936 N/A LEU 96.A N LEU 100.A O no hydrogen 2.773 N/A GLY 99.A N LEU 96.A O no hydrogen 3.053 N/A LEU 100.A N ASP 98.A OD2 no hydrogen 2.936 N/A GLU 101.A N LYS 84.A O no hydrogen 2.936 N/A LEU 102.A N VAL 94.A O no hydrogen 2.941 N/A SER 103.A N TYR 82.A O no hydrogen 2.847 N/A SER 103.A OG SER 90.A OG no hydrogen 2.918 N/A SER 103.A OG PHE 92.A O no hydrogen 3.463 N/A PHE 104.A N PHE 92.A O no hydrogen 2.847 N/A THR 105.A N ALA 80.A O no hydrogen 2.882 N/A ASP 106.A N TYR 89.A O no hydrogen 3.018 N/A LYS 107.A NZ TYR 89.A OH no hydrogen 2.698 N/A ARG 108.A N ASP 106.A OD1 no hydrogen 3.294 N/A ARG 109.A N ASP 106.A OD1 no hydrogen 3.094 N/A ARG 109.A NE ASP 30.A OD1 no hydrogen 3.480 N/A ARG 109.A NE ASP 30.A OD2 no hydrogen 2.732 N/A ARG 109.A NH2 ASP 30.A OD1 no hydrogen 2.964 N/A ALA 111.A N ASP 106.A OD2 no hydrogen 2.830 N/A LYS 112.A N GLN 74.A O no hydrogen 2.920 N/A VAL 113.A N VAL 33.A O no hydrogen 2.913 N/A ARG 114.A N SER 72.A O no hydrogen 3.060 N/A ARG 114.A NH1 GLN 74.A OE1 no hydrogen 2.979 N/A ARG 114.A NH2 GLN 74.A OE1 no hydrogen 3.503 N/A LEU 116.A N PHE 70.A O no hydrogen 2.934 N/A THR 120.A N ASN 118.A OD1 no hydrogen 3.158 N/A THR 120.A OG1 ASN 118.A OD1 no hydrogen 2.742 N/A SER 121.A N ASN 118.A O no hydrogen 3.134 N/A SER 121.A OG ASN 118.A O no hydrogen 3.070 N/A SER 123.A OG.B GLU 127.A OE1 no hydrogen 3.210 N/A SER 126.A N VAL 122.A O no hydrogen 2.931 N/A GLU 127.A N PRO 124.A O no hydrogen 3.135 N/A LEU 128.A N ILE 125.A O no hydrogen 3.228 N/A GLY 129.A N GLN 160.A O no hydrogen 2.708 N/A ASP 131.A N GLU 135.A OE2 no hydrogen 3.050 N/A ALA 132.A N SER 164.A O no hydrogen 3.017 N/A LEU 133.A N ASP 131.A OD2 no hydrogen 3.066 N/A LEU 134.A N ASP 131.A OD2 no hydrogen 2.788 N/A GLU 135.A N ASP 131.A O no hydrogen 2.912 N/A THR 138.A N GLU 141.A OE1 no hydrogen 2.928 N/A GLU 141.A N THR 138.A OG1 no hydrogen 3.100 N/A PHE 142.A N THR 138.A O no hydrogen 2.910 N/A ALA 143.A N VAL 139.A O no hydrogen 3.108 N/A GLU 144.A N.A ASP 140.A O no hydrogen 2.950 N/A GLU 144.A N.B ASP 140.A O no hydrogen 2.952 N/A SER 145.A N GLU 141.A O no hydrogen 2.918 N/A SER 145.A OG GLU 141.A O no hydrogen 3.324 N/A SER 145.A OG PHE 142.A O no hydrogen 2.811 N/A SER 145.A OG TYR 162.A OH no hydrogen 2.728 N/A LEU 146.A N PHE 142.A O no hydrogen 3.111 N/A LEU 146.A N ALA 143.A O no hydrogen 3.302 N/A ALA 147.A N ALA 143.A O no hydrogen 3.102 N/A LYS 149.A N LEU 146.A O no hydrogen 3.188 N/A LYS 149.A NZ SER 145.A O no hydrogen 2.768 N/A ILE 153.A N GLN 184.A O no hydrogen 2.828 N/A LYS 154.A N PRO 182.A O no hydrogen 3.384 N/A LYS 154.A NZ ASN 168.A OD1 no hydrogen 2.803 N/A LYS 154.A NZ ASP 172.A OD1 no hydrogen 2.801 N/A LYS 154.A NZ THR 245.A OG1 no hydrogen 2.820 N/A LEU 156.A N THR 152.A O no hydrogen 3.263 N/A LEU 157.A N ILE 153.A O no hydrogen 3.047 N/A LEU 158.A N LYS 154.A O no hydrogen 3.120 N/A LEU 158.A N PRO 155.A O no hydrogen 3.024 N/A ASP 159.A N LEU 156.A O no hydrogen 3.040 N/A GLY 161.A N ASP 159.A OD1 no hydrogen 2.773 N/A TYR 162.A N ASP 159.A O no hydrogen 2.937 N/A TYR 162.A OH SER 145.A OG no hydrogen 2.728 N/A ILE 163.A N ASP 159.A O no hydrogen 3.340 N/A SER 164.A N PRO 130.A O no hydrogen 3.008 N/A SER 164.A OG GLY 129.A O no hydrogen 2.795 N/A GLY 167.A N GLU 2.A OE1 no hydrogen 2.845 N/A TRP 169.A N GLU 2.A OE2 no hydrogen 2.825 N/A TRP 169.A NE1 GLU 5.A OE2.A no hydrogen 3.049 N/A ILE 170.A N GLU 2.A OE1 no hydrogen 3.032 N/A ALA 171.A N GLY 167.A O no hydrogen 2.997 N/A ASP 172.A N ASN 168.A O no hydrogen 3.056 N/A GLU 173.A N TRP 169.A O no hydrogen 2.919 N/A VAL 174.A N ILE 170.A O no hydrogen 2.805 N/A LEU 175.A N ALA 171.A O no hydrogen 3.090 N/A TYR 176.A N ASP 172.A O no hydrogen 2.998 N/A GLN 177.A N.A GLU 173.A O no hydrogen 2.926 N/A GLN 177.A N.B GLU 173.A O no hydrogen 2.929 N/A GLN 177.A NE2.A GLU 173.A OE2 no hydrogen 2.796 N/A GLN 177.A NE2.B GLU 173.A OE2 no hydrogen 3.213 N/A ALA 178.A N VAL 174.A O no hydrogen 2.993 N/A ARG 179.A N TYR 176.A O no hydrogen 3.141 N/A ARG 179.A NH1 TYR 176.A O no hydrogen 2.855 N/A ILE 180.A N LEU 175.A O no hydrogen 2.890 N/A HIS 181.A ND1 GLN 252.A O no hydrogen 3.330 N/A GLN 184.A N HIS 181.A O no hydrogen 3.102 N/A THR 185.A N ASP 258.A OD2 no hydrogen 2.825 N/A THR 185.A OG1 ASP 258.A OD1 no hydrogen 3.042 N/A THR 185.A OG1 ASP 258.A OD2 no hydrogen 3.161 N/A ALA 186.A N ILE 151.A O no hydrogen 2.843 N/A SER 187.A N LYS 149.A O no hydrogen 2.995 N/A SER 187.A OG LYS 149.A O no hydrogen 3.394 N/A SER 188.A N THR 185.A O no hydrogen 2.840 N/A SER 188.A OG GLN 184.A OE1 no hydrogen 2.908 N/A SER 188.A OG THR 185.A O no hydrogen 2.608 N/A SER 188.A OG ASP 258.A OD2 no hydrogen 3.562 N/A LEU 189.A N ALA 186.A O no hydrogen 3.197 N/A SER 190.A N GLN 193.A OE1 no hydrogen 2.914 N/A SER 190.A OG GLU 192.A OE1 no hydrogen 3.533 N/A SER 190.A OG GLN 193.A OE1 no hydrogen 3.525 N/A GLU 192.A N GLU 192.A OE1 no hydrogen 2.745 N/A GLN 193.A N SER 190.A OG no hydrogen 3.166 N/A CYS 194.A N SER 190.A O no hydrogen 2.910 N/A CYS 194.A SG SER 190.A O no hydrogen 3.446 N/A GLU 195.A N LYS 191.A O.A no hydrogen 3.032 N/A GLU 195.A N LYS 191.A O.B no hydrogen 3.030 N/A ALA 196.A N GLU 192.A O no hydrogen 2.959 N/A LEU 197.A N GLN 193.A O no hydrogen 2.934 N/A HIS 198.A N CYS 194.A O no hydrogen 2.874 N/A THR 199.A N GLU 195.A O no hydrogen 2.931 N/A THR 199.A OG1 GLU 195.A O no hydrogen 3.071 N/A SER 200.A N.A ALA 196.A O no hydrogen 3.018 N/A SER 200.A N.B ALA 196.A O no hydrogen 3.014 N/A SER 200.A OG.A VAL 174.A O no hydrogen 2.921 N/A SER 200.A OG.A ALA 196.A O no hydrogen 3.492 N/A SER 200.A OG.A LEU 197.A O no hydrogen 3.071 N/A SER 200.A OG.B ALA 196.A O no hydrogen 3.274 N/A ILE 201.A N LEU 197.A O no hydrogen 2.994 N/A LYS 202.A N HIS 198.A O no hydrogen 3.268 N/A LYS 202.A NZ GLU 206.A OE1 no hydrogen 2.587 N/A GLU 203.A N THR 199.A O no hydrogen 2.936 N/A VAL 204.A N SER 200.A O.A no hydrogen 2.886 N/A VAL 204.A N SER 200.A O.B no hydrogen 2.895 N/A ILE 205.A N ILE 201.A O no hydrogen 3.089 N/A GLU 206.A N LYS 202.A O no hydrogen 2.933 N/A LYS 207.A N GLU 203.A O no hydrogen 3.051 N/A LYS 207.A NZ GLU 210.A OE2 no hydrogen 3.096 N/A ALA 208.A N VAL 204.A O no hydrogen 2.942 N/A VAL 209.A N ILE 205.A O no hydrogen 2.961 N/A GLU 210.A N GLU 206.A O no hydrogen 2.782 N/A VAL 211.A N LYS 207.A O no hydrogen 3.178 N/A ASP 212.A N VAL 209.A O no hydrogen 3.126 N/A ALA 213.A N ALA 208.A O no hydrogen 2.862 N/A ASP 214.A N VAL 211.A O no hydrogen 3.088 N/A SER 216.A N ASP 214.A OD1 no hydrogen 2.959 N/A SER 216.A OG ASP 214.A OD1 no hydrogen 2.494 N/A SER 216.A OG ASP 214.A OD2 no hydrogen 3.403 N/A GLN 217.A N ASP 214.A O no hydrogen 2.816 N/A PHE 218.A N SER 215.A O no hydrogen 3.007 N/A TRP 222.A N PRO 219.A O no hydrogen 3.133 N/A ILE 223.A N GLU 173.A OE2 no hydrogen 3.000 N/A PHE 224.A N GLU 173.A OE1 no hydrogen 2.845 N/A ASN 226.A N ILE 223.A O no hydrogen 3.090 N/A ASN 226.A ND2 PHE 235.A O no hydrogen 2.668 N/A ARG 227.A N PHE 224.A O no hydrogen 3.332 N/A ARG 227.A NE ASP 172.A OD2 no hydrogen 3.065 N/A ARG 227.A NH2 ASP 172.A OD2 no hydrogen 3.025 N/A LYS 233.A N LYS 230.A O no hydrogen 3.043 N/A VAL 236.A N LYS 239.A O no hydrogen 3.067 N/A LYS 239.A N VAL 236.A O no hydrogen 3.044 N/A LYS 240.A NZ ILE 241.A O no hydrogen 3.406 N/A LYS 240.A NZ ASP 242.A OD1.A no hydrogen 2.658 N/A ILE 241.A N ALA 234.A O no hydrogen 3.049 N/A ASP 242.A N.A TYR 247.A O no hydrogen 2.788 N/A ASP 242.A N.B TYR 247.A O no hydrogen 2.789 N/A ILE 244.A N THR 245.A O no hydrogen 2.993 N/A ALA 246.A N ASP 172.A OD2 no hydrogen 2.899 N/A TYR 247.A N ASP 242.A O.A no hydrogen 3.105 N/A TYR 247.A N ASP 242.A O.B no hydrogen 3.101 N/A TYR 247.A OH ASP 242.A OD2.B no hydrogen 2.776 N/A VAL 248.A N GLN 252.A OE1 no hydrogen 2.778 N/A LEU 251.A N VAL 248.A O no hydrogen 2.828 N/A GLN 252.A N VAL 248.A O no hydrogen 2.774 N/A GLN 252.A NE2 ILE 180.A O no hydrogen 2.804 N/A ALA 259.A N TYR 255.A O no hydrogen 3.380 N/A GLU 260.A N GLY 256.A O no hydrogen 3.030 N/A LYS 261.A N LYS 257.A O no hydrogen 2.914 N/A ALA 262.A N ASP 258.A O no hydrogen 2.995 N/A ALA 263.A N ALA 259.A O no hydrogen 3.057 N/A ALA 263.A N GLU 260.A O no hydrogen 3.064 N/A