Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ae2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N GLU 7.A O no hydrogen 3.205 N/A GLY 2.A N ASN 5.A OD1 no hydrogen 2.889 N/A LEU 6.A N LEU 31.A O no hydrogen 2.818 N/A GLU 7.A N ASN 5.A OD1 no hydrogen 3.011 N/A GLY 8.A N GLY 32.A O no hydrogen 3.322 N/A CYS 9.A N LEU 6.A O no hydrogen 3.001 N/A THR 10.A N ASN 88.A OD1 no hydrogen 3.077 N/A THR 10.A OG1 LYS 86.A O no hydrogen 2.723 N/A THR 10.A OG1 ASN 88.A OD1 no hydrogen 3.531 N/A ALA 11.A N SER 34.A O no hydrogen 2.859 N/A LEU 12.A N ILE 89.A O no hydrogen 2.801 N/A VAL 13.A N TYR 36.A O no hydrogen 2.968 N/A THR 14.A N VAL 91.A O no hydrogen 3.162 N/A THR 14.A OG1 VAL 91.A O no hydrogen 3.552 N/A GLY 16.A N CYS 38.A O no hydrogen 3.262 N/A SER 17.A OG GLU 44.A OE2 no hydrogen 3.289 N/A ARG 18.A NE SER 194.A OG no hydrogen 3.019 N/A ARG 18.A NH1 GLU 44.A OE2 no hydrogen 3.061 N/A TYR 22.A N ARG 18.A O no hydrogen 3.171 N/A GLY 23.A N GLY 19.A O no hydrogen 3.121 N/A ILE 24.A N ILE 20.A O no hydrogen 2.812 N/A VAL 25.A N GLY 21.A O no hydrogen 2.962 N/A GLU 26.A N TYR 22.A O no hydrogen 3.124 N/A GLU 27.A N GLY 23.A O no hydrogen 3.046 N/A LEU 28.A N ILE 24.A O no hydrogen 2.910 N/A ALA 29.A N VAL 25.A O no hydrogen 2.943 N/A SER 30.A N GLU 26.A O no hydrogen 2.949 N/A SER 30.A OG GLU 27.A O no hydrogen 2.970 N/A LEU 31.A N LEU 28.A O no hydrogen 3.144 N/A GLY 32.A N ALA 29.A O no hydrogen 2.973 N/A ALA 33.A N LEU 28.A O no hydrogen 3.050 N/A SER 34.A N CYS 9.A O no hydrogen 2.744 N/A VAL 35.A N LYS 58.A O no hydrogen 2.870 N/A TYR 36.A N ALA 11.A O no hydrogen 2.805 N/A TYR 36.A OH SER 62.A OG no hydrogen 2.748 N/A THR 37.A N GLU 60.A O no hydrogen 2.870 N/A THR 37.A OG1 VAL 13.A O no hydrogen 2.724 N/A ASN 41.A N SER 39.A OG no hydrogen 3.253 N/A GLN 42.A NE2 GLN 42.A O no hydrogen 3.036 N/A GLU 44.A N ASN 41.A OD1 no hydrogen 3.192 N/A LEU 45.A N ASN 41.A O no hydrogen 3.045 N/A ASN 46.A N GLN 42.A O no hydrogen 2.894 N/A ASP 47.A N LYS 43.A O no hydrogen 3.170 N/A CYS 48.A N GLU 44.A O no hydrogen 3.063 N/A CYS 48.A SG SER 17.A O no hydrogen 3.551 N/A CYS 48.A SG GLU 44.A O no hydrogen 3.316 N/A LEU 49.A N LEU 45.A O no hydrogen 2.886 N/A THR 50.A N ASN 46.A O no hydrogen 3.122 N/A THR 50.A OG1 ASN 46.A O no hydrogen 3.177 N/A GLN 51.A N ASP 47.A O no hydrogen 3.099 N/A TRP 52.A N CYS 48.A O no hydrogen 2.909 N/A ARG 53.A N LEU 49.A O no hydrogen 2.857 N/A ARG 53.A NH2 VAL 59.A O no hydrogen 2.973 N/A SER 54.A N THR 50.A O no hydrogen 3.156 N/A SER 54.A OG THR 50.A O no hydrogen 3.304 N/A SER 54.A OG GLN 51.A O no hydrogen 2.841 N/A LYS 55.A N TRP 52.A O no hydrogen 3.027 N/A LYS 55.A NZ GLU 26.A OE2 no hydrogen 3.312 N/A GLY 56.A N ARG 53.A O no hydrogen 2.731 N/A PHE 57.A N TRP 52.A O no hydrogen 3.145 N/A LYS 58.A NZ GLY 32.A O no hydrogen 3.465 N/A GLU 60.A N VAL 35.A O no hydrogen 2.909 N/A ALA 61.A N GLU 60.A OE2 no hydrogen 2.864 N/A SER 62.A N THR 37.A O no hydrogen 3.263 N/A SER 62.A OG TYR 36.A OH no hydrogen 2.748 N/A CYS 64.A N SER 39.A O no hydrogen 2.885 N/A CYS 64.A SG GLU 71.A O no hydrogen 3.581 N/A ASP 65.A N GLU 71.A OE1 no hydrogen 3.094 N/A SER 67.A N ASP 65.A OD1 no hydrogen 3.103 N/A SER 67.A OG ASP 65.A OD1 no hydrogen 2.921 N/A SER 67.A OG ASP 65.A OD2 no hydrogen 3.344 N/A SER 68.A N ASP 65.A O no hydrogen 3.105 N/A GLU 71.A N SER 68.A OG no hydrogen 3.249 N/A ARG 72.A N SER 68.A O no hydrogen 3.019 N/A ARG 72.A NE HIS 123.A ND1 no hydrogen 2.609 N/A ARG 72.A NH1 LEU 66.A O no hydrogen 2.835 N/A ARG 72.A NH2 HIS 123.A ND1 no hydrogen 3.146 N/A GLN 73.A N ARG 69.A O no hydrogen 3.137 N/A GLU 74.A N SER 70.A O no hydrogen 3.001 N/A LEU 75.A N GLU 71.A O no hydrogen 2.878 N/A MET 76.A N ARG 72.A O no hydrogen 3.102 N/A ASN 77.A N GLN 73.A O no hydrogen 3.133 N/A THR 78.A N GLU 74.A O no hydrogen 3.119 N/A THR 78.A OG1 GLU 74.A O no hydrogen 3.056 N/A VAL 79.A N LEU 75.A O no hydrogen 2.991 N/A ALA 80.A N MET 76.A O no hydrogen 2.876 N/A ASN 81.A N ASN 77.A O no hydrogen 3.116 N/A HIS 82.A N THR 78.A O no hydrogen 2.892 N/A PHE 83.A N VAL 79.A O no hydrogen 2.800 N/A HIS 84.A N ASN 81.A O no hydrogen 3.254 N/A GLY 85.A N ALA 80.A O no hydrogen 2.477 N/A LYS 86.A N PHE 83.A O no hydrogen 3.283 N/A LEU 87.A N PHE 131.A O no hydrogen 2.974 N/A ASN 88.A N THR 10.A O no hydrogen 3.235 N/A ASN 88.A N THR 10.A OG1 no hydrogen 3.158 N/A ASN 88.A ND2 ARG 137.A O no hydrogen 3.208 N/A ILE 89.A N THR 10.A O no hydrogen 2.942 N/A LEU 90.A N ASN 139.A O no hydrogen 2.949 N/A VAL 91.A N LEU 12.A O no hydrogen 2.812 N/A ASN 92.A N VAL 141.A O no hydrogen 2.916 N/A ASN 93.A N THR 14.A OG1 no hydrogen 3.040 N/A ASN 93.A ND2 THR 14.A O no hydrogen 3.109 N/A ALA 94.A N THR 14.A OG1 no hydrogen 3.052 N/A ILE 96.A N ASN 117.A OD1 no hydrogen 2.917 N/A TYR 99.A OH THR 199.A OG1 no hydrogen 2.862 N/A LYS 100.A N ILE 98.A O no hydrogen 3.092 N/A LYS 100.A NZ ASP 109.A OD1 no hydrogen 2.630 N/A LYS 103.A NZ ASP 104.A OD2 no hydrogen 3.568 N/A ASP 104.A N GLU 101.A O no hydrogen 2.874 N/A TYR 105.A OH ILE 98.A O no hydrogen 2.654 N/A THR 106.A N ASP 109.A OD1 no hydrogen 3.195 N/A ASP 109.A N THR 106.A OG1 no hydrogen 3.065 N/A TYR 110.A N THR 106.A O no hydrogen 2.998 N/A SER 111.A N VAL 107.A O no hydrogen 2.953 N/A SER 111.A OG VAL 107.A O no hydrogen 2.742 N/A LEU 112.A N GLU 108.A O no hydrogen 2.975 N/A ILE 113.A N ASP 109.A O no hydrogen 3.096 N/A MET 114.A N TYR 110.A O no hydrogen 3.061 N/A SER 115.A N SER 111.A O no hydrogen 3.081 N/A SER 115.A OG LEU 112.A O no hydrogen 3.061 N/A ILE 116.A N LEU 112.A O no hydrogen 3.118 N/A ASN 117.A N ILE 113.A O no hydrogen 2.898 N/A ASN 117.A ND2 ILE 96.A O no hydrogen 3.081 N/A ASN 117.A ND2 THR 161.A OG1 no hydrogen 3.345 N/A PHE 118.A N MET 114.A O no hydrogen 3.101 N/A GLU 119.A N MET 114.A O no hydrogen 2.930 N/A ALA 120.A N SER 115.A O no hydrogen 2.869 N/A TYR 122.A N PHE 118.A O no hydrogen 2.964 N/A HIS 123.A N GLU 119.A O no hydrogen 2.818 N/A LEU 124.A N ALA 120.A O no hydrogen 2.860 N/A SER 125.A N ALA 121.A O no hydrogen 3.111 N/A SER 125.A OG ASN 92.A OD1 no hydrogen 3.259 N/A SER 125.A OG ALA 121.A O no hydrogen 2.742 N/A VAL 126.A N TYR 122.A O no hydrogen 3.149 N/A LEU 127.A N HIS 123.A O no hydrogen 2.968 N/A ALA 128.A N LEU 124.A O no hydrogen 2.945 N/A HIS 129.A N VAL 126.A O no hydrogen 3.241 N/A HIS 129.A NE2 ASP 179.A OD2 no hydrogen 2.701 N/A LEU 132.A N ALA 128.A O no hydrogen 2.954 N/A LYS 133.A N HIS 129.A O no hydrogen 2.908 N/A LYS 133.A NZ ASP 179.A OD1 no hydrogen 3.278 N/A ALA 134.A N PRO 130.A O no hydrogen 2.993 N/A SER 135.A N PHE 131.A O no hydrogen 3.089 N/A SER 135.A N LEU 132.A O no hydrogen 3.150 N/A SER 135.A OG LEU 87.A O no hydrogen 3.256 N/A SER 135.A OG LEU 132.A O no hydrogen 2.682 N/A GLU 136.A N LYS 133.A O no hydrogen 3.187 N/A ARG 137.A N SER 135.A OG no hydrogen 3.163 N/A ARG 137.A NH1 CYS 235.A O no hydrogen 3.196 N/A ARG 137.A NH2 CYS 235.A O no hydrogen 2.903 N/A GLY 138.A N ASN 180.A O no hydrogen 3.317 N/A ASN 139.A N ASN 88.A O no hydrogen 2.676 N/A VAL 140.A N ARG 182.A O no hydrogen 2.935 N/A VAL 141.A N LEU 90.A O no hydrogen 2.905 N/A PHE 142.A N ASN 184.A O no hydrogen 2.915 N/A ILE 143.A N ASN 92.A O no hydrogen 3.031 N/A SER 144.A N VAL 186.A O no hydrogen 2.975 N/A SER 144.A OG ASP 166.A OD1 no hydrogen 3.496 N/A SER 144.A OG ASP 166.A OD2 no hydrogen 2.644 N/A VAL 146.A N PRO 188.A O no hydrogen 3.372 N/A SER 147.A N SER 145.A OG no hydrogen 2.923 N/A SER 147.A OG GLU 155.A OE1 no hydrogen 2.371 N/A GLY 148.A N SER 145.A O no hydrogen 3.043 N/A ALA 149.A N VAL 146.A O no hydrogen 3.020 N/A LEU 150.A N VAL 146.A O no hydrogen 3.095 N/A TYR 154.A OH GLU 204.A OE1 no hydrogen 2.544 N/A TYR 154.A OH GLU 204.A OE2 no hydrogen 3.219 N/A GLU 155.A N VAL 152.A O no hydrogen 3.051 N/A GLY 159.A N GLU 155.A O no hydrogen 2.742 N/A ALA 160.A N ALA 156.A O no hydrogen 3.105 N/A THR 161.A N VAL 157.A O no hydrogen 3.064 N/A THR 161.A OG1 TYR 158.A O no hydrogen 2.604 N/A LYS 162.A N TYR 158.A O no hydrogen 3.269 N/A LYS 162.A NZ ILE 143.A O no hydrogen 2.931 N/A GLY 163.A N GLY 159.A O no hydrogen 2.832 N/A ALA 164.A N ALA 160.A O no hydrogen 3.013 N/A MET 165.A N THR 161.A O no hydrogen 3.129 N/A ASP 166.A N LYS 162.A O no hydrogen 2.824 N/A GLN 167.A N GLY 163.A O no hydrogen 3.337 N/A LEU 168.A N ALA 164.A O no hydrogen 2.989 N/A THR 169.A N MET 165.A O no hydrogen 2.909 N/A THR 169.A OG1 MET 165.A O no hydrogen 2.763 N/A ARG 170.A N ASP 166.A O no hydrogen 3.162 N/A ARG 170.A NH1 GLN 167.A OE1 no hydrogen 2.692 N/A CYS 171.A N GLN 167.A O no hydrogen 3.150 N/A CYS 171.A SG GLN 167.A O no hydrogen 3.599 N/A LEU 172.A N LEU 168.A O no hydrogen 2.910 N/A ALA 173.A N THR 169.A O no hydrogen 3.213 N/A PHE 174.A N CYS 171.A O no hydrogen 2.931 N/A GLU 175.A N CYS 171.A O no hydrogen 2.896 N/A TRP 176.A N LEU 172.A O no hydrogen 2.853 N/A ASP 179.A N TRP 176.A O no hydrogen 2.945 N/A ASN 180.A N ALA 177.A O no hydrogen 2.930 N/A ASN 180.A ND2 GLU 136.A O no hydrogen 2.415 N/A ILE 181.A N TRP 176.A O no hydrogen 3.398 N/A ARG 182.A N GLY 138.A O no hydrogen 3.024 N/A ARG 182.A NH1 LEU 234.A O no hydrogen 2.896 N/A ARG 182.A NH1 VAL 242.A O no hydrogen 3.023 N/A ARG 182.A NH2 LEU 234.A O no hydrogen 2.731 N/A VAL 183.A N THR 243.A OG1 no hydrogen 3.097 N/A ASN 184.A N VAL 140.A O no hydrogen 3.056 N/A ASN 184.A ND2 GLN 245.A O no hydrogen 3.698 N/A GLY 185.A N GLN 245.A O no hydrogen 2.774 N/A VAL 186.A N PHE 142.A O no hydrogen 2.828 N/A GLY 187.A N ILE 247.A O no hydrogen 2.742 N/A GLY 189.A N VAL 249.A O no hydrogen 3.095 N/A ALA 192.A N GLY 222.A O no hydrogen 3.020 N/A VAL 196.A N THR 193.A OG1 no hydrogen 3.348 N/A GLU 197.A N THR 193.A O no hydrogen 2.888 N/A MET 198.A N SER 194.A O no hydrogen 2.973 N/A THR 199.A N LEU 195.A O no hydrogen 3.132 N/A THR 199.A OG1 TYR 99.A OH no hydrogen 2.862 N/A THR 199.A OG1 LEU 195.A O no hydrogen 2.726 N/A ILE 200.A N VAL 196.A O no hydrogen 3.111 N/A GLN 201.A N MET 198.A O no hydrogen 2.967 N/A GLN 201.A NE2 MET 198.A O no hydrogen 3.482 N/A ASP 202.A N THR 199.A O no hydrogen 3.367 N/A GLU 204.A N ASP 202.A OD2 no hydrogen 3.096 N/A GLN 205.A N ASP 202.A OD2 no hydrogen 3.187 N/A LYS 206.A N ASP 202.A O no hydrogen 2.772 N/A GLU 207.A N PRO 203.A O no hydrogen 3.093 N/A ASN 208.A N GLU 204.A O no hydrogen 2.998 N/A ASN 208.A ND2 GLN 205.A OE1 no hydrogen 2.865 N/A LEU 209.A N GLN 205.A O no hydrogen 2.878 N/A ASN 210.A N LYS 206.A O no hydrogen 3.108 N/A LYS 211.A N GLU 207.A O no hydrogen 3.209 N/A LYS 211.A N ASN 208.A O no hydrogen 3.211 N/A ILE 213.A N LEU 209.A O no hydrogen 3.125 N/A ASP 214.A N ASN 210.A O no hydrogen 3.047 N/A ARG 215.A N LEU 212.A O no hydrogen 2.981 N/A CYS 216.A N ILE 213.A O no hydrogen 3.241 N/A CYS 216.A SG ILE 213.A O no hydrogen 3.177 N/A CYS 216.A SG ARG 220.A O no hydrogen 3.655 N/A LEU 218.A N GLY 251.A O no hydrogen 3.179 N/A ARG 219.A N CYS 216.A O no hydrogen 3.194 N/A ARG 220.A NH1 MET 221.A O no hydrogen 3.008 N/A ARG 220.A NH1 GLU 226.A OE1 no hydrogen 3.449 N/A ARG 220.A NH1 GLU 226.A OE2 no hydrogen 2.889 N/A ARG 220.A NH2 GLU 226.A OE1 no hydrogen 2.855 N/A GLY 222.A N VAL 190.A O no hydrogen 2.830 N/A GLU 223.A N GLU 226.A OE2 no hydrogen 2.667 N/A GLU 226.A N GLU 223.A O no hydrogen 2.791 N/A LEU 227.A N GLU 223.A O no hydrogen 3.377 N/A LEU 227.A N PRO 224.A O no hydrogen 3.164 N/A ALA 228.A N PRO 224.A O no hydrogen 2.829 N/A ALA 229.A N LYS 225.A O no hydrogen 3.038 N/A MET 230.A N LEU 227.A O no hydrogen 3.151 N/A VAL 231.A N LEU 227.A O no hydrogen 3.469 N/A ALA 232.A N ALA 228.A O no hydrogen 2.924 N/A PHE 233.A N ALA 229.A O no hydrogen 3.102 N/A LEU 234.A N MET 230.A O no hydrogen 3.234 N/A CYS 235.A N ALA 232.A O no hydrogen 3.029 N/A CYS 235.A SG VAL 231.A O no hydrogen 3.392 N/A PHE 236.A N ALA 232.A O no hydrogen 3.180 N/A PHE 236.A N PHE 233.A O no hydrogen 2.928 N/A ALA 238.A N ARG 3.A O no hydrogen 3.258 N/A ALA 239.A N PHE 236.A O no hydrogen 2.957 N/A SER 240.A N PRO 237.A O no hydrogen 3.206 N/A SER 240.A OG PRO 237.A O no hydrogen 3.372 N/A VAL 242.A N ALA 239.A O no hydrogen 2.984 N/A THR 243.A OG1 VAL 183.A O no hydrogen 3.538 N/A GLY 244.A N VAL 183.A O no hydrogen 2.718 N/A ILE 247.A N GLY 185.A O no hydrogen 2.865 N/A VAL 249.A N GLY 187.A O no hydrogen 3.062 N/A GLY 252.A N ASP 250.A OD1 no hydrogen 2.797 N/A LEU 253.A N ASP 250.A O no hydrogen 3.250 N/A MET 254.A N ASP 250.A OD2 no hydrogen 2.733 N/A ALA 255.A N GLY 252.A O no hydrogen 2.951 N/A ASN 256.A N LEU 253.A O no hydrogen 3.140 N/A ASN 256.A ND2 ARG 215.A O no hydrogen 2.707 N/A ASN 256.A ND2 PHE 259.A OXT no hydrogen 2.777 N/A PHE 259.A N ASN 256.A OD1 no hydrogen 2.823 N/A