Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wpe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A N GLN 210.A OE1 no hydrogen 2.765 N/A CYS 8.A N SER 4.A O no hydrogen 3.299 N/A CYS 8.A SG SER 4.A O no hydrogen 3.610 N/A TRP 10.A NE1 GLU 6.A O no hydrogen 2.841 N/A ASP 14.A N ASP 11.A O no hydrogen 3.033 N/A ILE 19.A N ASN 15.A O no hydrogen 3.162 N/A LEU 20.A N GLY 16.A O no hydrogen 3.124 N/A LEU 21.A N VAL 17.A O no hydrogen 2.899 N/A GLY 22.A N ASN 18.A O no hydrogen 2.843 N/A HIS 23.A N ILE 19.A O no hydrogen 2.975 N/A ILE 24.A N LEU 20.A O no hydrogen 3.013 N/A SER 25.A N LEU 21.A O no hydrogen 3.195 N/A GLN 26.A N GLY 22.A O no hydrogen 3.021 N/A GLY 27.A N HIS 23.A O no hydrogen 3.096 N/A ILE 28.A N ILE 24.A O no hydrogen 3.131 N/A ILE 28.A N SER 25.A O no hydrogen 3.235 N/A ARG 29.A N SER 25.A O no hydrogen 3.366 N/A SER 30.A N GLN 26.A O no hydrogen 3.060 N/A CYS 31.A N ILE 28.A O no hydrogen 3.165 N/A CYS 31.A SG GLY 27.A O no hydrogen 3.553 N/A ASP 32.A N ARG 29.A O no hydrogen 3.052 N/A SER 33.A N SER 30.A O no hydrogen 3.246 N/A SER 33.A OG SER 30.A O no hydrogen 3.265 N/A LEU 35.A N ASP 32.A O no hydrogen 3.139 N/A PHE 36.A N SER 33.A O no hydrogen 3.310 N/A LYS 38.A N ILE 34.A O no hydrogen 3.178 N/A GLN 39.A N LEU 35.A O no hydrogen 2.953 N/A ARG 40.A N PHE 36.A O no hydrogen 2.820 N/A ARG 40.A NH1 GLN 91.A OE1 no hydrogen 3.007 N/A SER 41.A N PHE 37.A O no hydrogen 2.952 N/A SER 41.A OG LYS 38.A O no hydrogen 2.658 N/A GLU 42.A N LYS 38.A O no hydrogen 2.918 N/A LEU 43.A N GLN 39.A O no hydrogen 2.923 N/A GLU 44.A N ARG 40.A O no hydrogen 3.181 N/A LYS 45.A N SER 41.A O no hydrogen 3.260 N/A ASP 46.A N GLU 42.A O no hydrogen 3.385 N/A TYR 47.A N LEU 43.A O no hydrogen 3.002 N/A ALA 48.A N GLU 44.A O no hydrogen 2.902 N/A ARG 49.A N LYS 45.A O no hydrogen 2.907 N/A ARG 50.A N ASP 46.A O no hydrogen 2.918 N/A LEU 51.A N TYR 47.A O no hydrogen 2.895 N/A GLY 52.A N ALA 48.A O no hydrogen 2.919 N/A ALA 53.A N ARG 49.A O no hydrogen 3.140 N/A ILE 54.A N ARG 50.A O no hydrogen 3.120 N/A THR 55.A N LEU 51.A O no hydrogen 2.896 N/A THR 55.A OG1 LEU 51.A O no hydrogen 3.491 N/A THR 55.A OG1 GLY 52.A O no hydrogen 2.826 N/A GLY 56.A N GLY 52.A O no hydrogen 2.887 N/A LYS 57.A N ALA 53.A O no hydrogen 3.235 N/A LEU 58.A N ILE 54.A O no hydrogen 3.041 N/A ASP 59.A N THR 55.A O no hydrogen 2.943 N/A LYS 60.A N GLY 56.A O no hydrogen 3.276 N/A ASP 61.A N LYS 57.A O no hydrogen 3.084 N/A ILE 62.A N LEU 58.A O no hydrogen 2.953 N/A GLY 63.A N ASP 59.A O no hydrogen 3.168 N/A THR 64.A N LYS 60.A O no hydrogen 2.876 N/A THR 64.A OG1 LYS 60.A O no hydrogen 2.826 N/A ASN 65.A N ASP 61.A O no hydrogen 2.760 N/A TYR 67.A N ASP 66.A OD1 no hydrogen 2.618 N/A TYR 67.A OH THR 256.A OG1 no hydrogen 3.000 N/A TYR 67.A OH GLU 260.A OE1 no hydrogen 3.251 N/A LYS 69.A N GLU 253.A OE2 no hydrogen 3.405 N/A LEU 70.A N GLU 253.A OE1 no hydrogen 3.206 N/A ASN 71.A N TYR 67.A O no hydrogen 3.102 N/A ASN 71.A N GLY 68.A O no hydrogen 2.676 N/A GLU 72.A N GLY 68.A O no hydrogen 3.010 N/A THR 73.A N LYS 69.A O no hydrogen 2.740 N/A PHE 74.A N LEU 70.A O no hydrogen 3.302 N/A ASN 75.A N ASN 71.A O no hydrogen 3.271 N/A VAL 76.A N GLU 72.A O no hydrogen 3.332 N/A VAL 77.A N THR 73.A O no hydrogen 3.180 N/A LEU 78.A N PHE 74.A O no hydrogen 3.150 N/A SER 79.A N ASN 75.A O no hydrogen 2.853 N/A SER 79.A OG VAL 76.A O no hydrogen 3.205 N/A VAL 80.A N VAL 76.A O no hydrogen 2.743 N/A GLU 81.A N VAL 77.A O no hydrogen 3.068 N/A LYS 82.A N LEU 78.A O no hydrogen 3.266 N/A ALA 83.A N SER 79.A O no hydrogen 3.149 N/A ARG 84.A N VAL 80.A O no hydrogen 3.175 N/A ARG 84.A NE GLU 81.A OE2 no hydrogen 2.854 N/A ARG 84.A NH1 TYR 47.A OH no hydrogen 3.007 N/A ARG 84.A NH1 GLU 236.A OE2 no hydrogen 3.021 N/A ARG 84.A NH2 TYR 47.A OH no hydrogen 3.500 N/A ARG 84.A NH2 GLU 81.A OE1 no hydrogen 2.686 N/A ARG 84.A NH2 GLU 81.A OE2 no hydrogen 3.428 N/A ALA 85.A N GLU 81.A O no hydrogen 3.051 N/A GLN 86.A N LYS 82.A O no hydrogen 3.091 N/A SER 87.A N ALA 83.A O no hydrogen 2.968 N/A SER 87.A OG THR 232.A OG1 no hydrogen 3.357 N/A HIS 88.A N ARG 84.A O no hydrogen 2.767 N/A HIS 88.A ND1 GLU 44.A OE1 no hydrogen 2.643 N/A HIS 88.A NE2 GLU 236.A OE2 no hydrogen 2.986 N/A SER 89.A N ALA 85.A O no hydrogen 2.901 N/A LYS 90.A N GLN 86.A O no hydrogen 2.907 N/A GLN 91.A N SER 87.A O no hydrogen 2.994 N/A GLN 91.A NE2 THR 232.A OG1 no hydrogen 2.940 N/A SER 92.A N HIS 88.A O no hydrogen 2.824 N/A SER 92.A OG SER 41.A O no hydrogen 2.822 N/A GLU 93.A N SER 89.A O no hydrogen 3.173 N/A ILE 94.A N LYS 90.A O no hydrogen 3.160 N/A LEU 95.A N GLN 91.A O no hydrogen 3.092 N/A PHE 96.A N SER 92.A O no hydrogen 3.074 N/A ARG 97.A N GLU 93.A O no hydrogen 3.295 N/A GLN 98.A N ILE 94.A O no hydrogen 3.110 N/A TYR 100.A N LEU 95.A O no hydrogen 2.885 N/A THR 101.A N PHE 96.A O no hydrogen 3.174 N/A THR 101.A OG1 PHE 96.A O no hydrogen 2.907 N/A THR 103.A N ILE 99.A O no hydrogen 3.209 N/A THR 103.A OG1 ILE 99.A O no hydrogen 2.466 N/A LYS 104.A N TYR 100.A O no hydrogen 2.930 N/A ALA 105.A N THR 101.A O no hydrogen 2.948 N/A PHE 106.A N ASP 102.A O no hydrogen 3.178 N/A ALA 107.A N THR 103.A O no hydrogen 2.923 N/A ALA 108.A N LYS 104.A O no hydrogen 3.055 N/A ASN 109.A N ALA 105.A O no hydrogen 3.218 N/A LEU 110.A N PHE 106.A O no hydrogen 2.985 N/A GLN 111.A N ALA 107.A O no hydrogen 3.083 N/A ALA 112.A N ALA 108.A O no hydrogen 3.125 N/A ARG 113.A N ASN 109.A O no hydrogen 3.104 N/A ARG 113.A NH1 GLU 211.A OE2 no hydrogen 3.089 N/A ARG 113.A NH2 GLU 208.A OE1 no hydrogen 2.968 N/A ARG 113.A NH2 GLU 211.A OE2 no hydrogen 3.304 N/A TYR 114.A N LEU 110.A O no hydrogen 2.831 N/A TYR 114.A OH LEU 21.A O no hydrogen 3.216 N/A THR 115.A N GLN 111.A O no hydrogen 2.946 N/A THR 115.A OG1 GLN 111.A O no hydrogen 3.109 N/A THR 116.A N ALA 112.A O no hydrogen 3.233 N/A THR 116.A OG1 ALA 112.A O no hydrogen 3.306 N/A LEU 117.A N ARG 113.A O no hydrogen 2.917 N/A SER 118.A N TYR 114.A O no hydrogen 2.915 N/A SER 118.A OG TYR 114.A O no hydrogen 3.210 N/A GLY 119.A N THR 115.A O no hydrogen 3.181 N/A LYS 120.A N THR 116.A O no hydrogen 3.097 N/A ILE 121.A N LEU 117.A O no hydrogen 2.819 N/A GLU 122.A N SER 118.A O no hydrogen 2.898 N/A ARG 123.A N GLY 119.A O no hydrogen 2.962 N/A LEU 124.A N LYS 120.A O no hydrogen 3.188 N/A ARG 125.A N ILE 121.A O no hydrogen 3.125 N/A PHE 128.A N ARG 125.A O no hydrogen 3.226 N/A LYS 130.A N ASP 126.A O no hydrogen 3.329 N/A LYS 130.A NZ ASP 126.A OD1 no hydrogen 3.110 N/A LYS 130.A NZ ASP 126.A OD2 no hydrogen 2.616 N/A LYS 131.A N LYS 127.A O no hydrogen 2.959 N/A LYS 132.A N PHE 128.A O no hydrogen 2.825 N/A GLY 133.A N ASN 129.A O no hydrogen 2.895 N/A CYS 134.A N LYS 130.A O no hydrogen 3.157 N/A CYS 134.A SG LYS 130.A O no hydrogen 3.556 N/A CYS 134.A SG LEU 187.A O no hydrogen 3.472 N/A GLU 135.A N LYS 131.A O no hydrogen 3.264 N/A VAL 136.A N LYS 132.A O no hydrogen 2.958 N/A LEU 137.A N GLY 133.A O no hydrogen 3.193 N/A GLN 138.A N CYS 134.A O no hydrogen 2.891 N/A LYS 139.A N GLU 135.A O no hydrogen 3.104 N/A LYS 140.A N VAL 136.A O no hydrogen 3.184 N/A LEU 141.A N LEU 137.A O no hydrogen 2.718 N/A GLN 142.A N GLN 138.A O no hydrogen 3.074 N/A ASP 143.A N LYS 139.A O no hydrogen 2.855 N/A ALA 144.A N LYS 140.A O no hydrogen 2.923 N/A GLN 145.A N LEU 141.A O no hydrogen 2.876 N/A ILE 146.A N GLN 142.A O no hydrogen 2.907 N/A ARG 147.A N ASP 143.A O no hydrogen 2.904 N/A PHE 148.A N ALA 144.A O no hydrogen 3.005 N/A ARG 149.A N GLN 145.A O no hydrogen 3.183 N/A ASP 150.A N ILE 146.A O no hydrogen 2.980 N/A LEU 151.A N ARG 147.A O no hydrogen 3.145 N/A GLN 152.A N PHE 148.A O no hydrogen 3.126 N/A LEU 153.A N ARG 149.A O no hydrogen 3.131 N/A ASN 154.A N LEU 151.A O no hydrogen 3.191 N/A GLU 155.A N GLN 152.A O no hydrogen 3.435 N/A ASN 157.A N ASN 154.A O no hydrogen 3.078 N/A VAL 163.A N GLY 159.A O no hydrogen 2.935 N/A GLU 164.A N ALA 160.A O no hydrogen 3.118 N/A HIS 165.A N LYS 161.A O no hydrogen 3.095 N/A ASN 166.A N ARG 162.A O no hydrogen 3.305 N/A ASN 166.A ND2 LEU 151.A O no hydrogen 3.174 N/A LYS 167.A N VAL 163.A O no hydrogen 2.974 N/A ARG 168.A N GLU 164.A O no hydrogen 2.906 N/A ARG 168.A NE GLU 164.A OE2 no hydrogen 3.026 N/A ARG 168.A NH2 GLU 164.A OE2 no hydrogen 3.003 N/A GLU 169.A N HIS 165.A O no hydrogen 3.191 N/A LEU 170.A N ASN 166.A O no hydrogen 2.945 N/A LEU 171.A N LYS 167.A O no hydrogen 3.278 N/A LYS 172.A N ARG 168.A O no hydrogen 2.929 N/A TRP 173.A N GLU 169.A O no hydrogen 3.083 N/A GLU 174.A N LEU 170.A O no hydrogen 2.875 N/A SER 175.A N LEU 171.A O no hydrogen 2.748 N/A SER 175.A OG LEU 171.A O no hydrogen 2.916 N/A ASN 176.A N LYS 172.A O no hydrogen 3.010 N/A SER 177.A N TRP 173.A O no hydrogen 3.175 N/A SER 177.A OG TRP 173.A O no hydrogen 2.802 N/A GLN 178.A N GLU 174.A O no hydrogen 3.105 N/A GLU 179.A N SER 175.A O no hydrogen 2.902 N/A TYR 180.A N ASN 176.A O no hydrogen 2.881 N/A LYS 181.A N SER 177.A O no hydrogen 3.158 N/A VAL 182.A N GLN 178.A O no hydrogen 3.245 N/A GLN 183.A N GLU 179.A O no hydrogen 2.733 N/A LEU 184.A N TYR 180.A O no hydrogen 2.846 N/A ASP 185.A N LYS 181.A O no hydrogen 3.041 N/A VAL 186.A N VAL 182.A O no hydrogen 3.117 N/A LEU 187.A N GLN 183.A O no hydrogen 3.357 N/A LYS 188.A N LEU 184.A O no hydrogen 2.850 N/A GLN 189.A N ASP 185.A O no hydrogen 3.130 N/A GLU 190.A N VAL 186.A O no hydrogen 2.887 N/A TYR 191.A N LEU 187.A O no hydrogen 3.183 N/A LYS 192.A N LYS 188.A O no hydrogen 3.076 N/A ALA 193.A N GLN 189.A O no hydrogen 2.981 N/A SER 194.A N GLU 190.A O no hydrogen 2.977 N/A SER 194.A OG ASP 126.A OD2 no hydrogen 2.480 N/A GLN 195.A N TYR 191.A O no hydrogen 2.811 N/A LYS 196.A N LYS 192.A O no hydrogen 3.069 N/A PHE 197.A N ALA 193.A O no hydrogen 2.867 N/A TRP 198.A N SER 194.A O no hydrogen 3.138 N/A ILE 199.A N GLN 195.A O no hydrogen 3.320 N/A HIS 200.A N LYS 196.A O no hydrogen 3.092 N/A GLU 201.A N PHE 197.A O no hydrogen 2.776 N/A TRP 202.A N TRP 198.A O no hydrogen 2.611 N/A ALA 203.A N ILE 199.A O no hydrogen 3.186 N/A GLN 204.A N GLU 201.A O no hydrogen 2.797 N/A LEU 205.A N GLU 201.A O no hydrogen 2.836 N/A SER 206.A N TRP 202.A O no hydrogen 3.117 N/A SER 206.A OG TRP 202.A O no hydrogen 2.731 N/A GLU 208.A N GLN 204.A O no hydrogen 3.066 N/A LEU 209.A N LEU 205.A O no hydrogen 3.018 N/A GLN 210.A N SER 206.A O no hydrogen 2.949 N/A GLU 211.A N CYS 207.A O no hydrogen 2.810 N/A ASN 213.A N GLN 210.A O no hydrogen 3.153 N/A ALA 214.A N GLU 211.A O no hydrogen 2.933 N/A ARG 215.A NE GLY 27.A O no hydrogen 2.562 N/A ARG 215.A NH2 GLY 27.A O no hydrogen 3.023 N/A ILE 216.A N GLU 212.A O no hydrogen 2.787 N/A SER 217.A N ASN 213.A O no hydrogen 3.105 N/A SER 217.A OG ASN 213.A O no hydrogen 3.073 N/A PHE 218.A N ALA 214.A O no hydrogen 3.281 N/A LEU 219.A N ARG 215.A O no hydrogen 3.167 N/A GLN 220.A N ILE 216.A O no hydrogen 2.771 N/A SER 221.A N SER 217.A O no hydrogen 2.883 N/A SER 221.A OG PHE 218.A O no hydrogen 2.981 N/A LYS 222.A N PHE 218.A O no hydrogen 2.929 N/A LYS 222.A NZ GLN 98.A O no hydrogen 3.455 N/A LYS 222.A NZ GLN 225.A OE1 no hydrogen 2.855 N/A LEU 223.A N LEU 219.A O no hydrogen 3.052 N/A GLN 224.A N SER 221.A O no hydrogen 3.253 N/A GLN 225.A N SER 221.A O no hydrogen 3.087 N/A PHE 226.A N LYS 222.A O no hydrogen 3.074 N/A ALA 227.A N LEU 223.A O no hydrogen 2.915 N/A THR 228.A N GLN 224.A O no hydrogen 2.510 N/A THR 228.A OG1 GLN 224.A O no hydrogen 3.259 N/A THR 228.A OG1 GLN 224.A OE1 no hydrogen 2.249 N/A SER 229.A N GLN 225.A O no hydrogen 3.127 N/A SER 229.A OG GLN 225.A O no hydrogen 3.100 N/A SER 230.A N PHE 226.A O no hydrogen 3.091 N/A SER 230.A OG PHE 226.A O no hydrogen 3.074 N/A THR 232.A OG1 SER 87.A OG no hydrogen 3.357 N/A THR 232.A OG1 SER 229.A O no hydrogen 3.503 N/A TYR 233.A N SER 230.A O no hydrogen 3.178 N/A LEU 235.A N GLU 231.A O no hydrogen 3.084 N/A GLU 236.A N THR 232.A O no hydrogen 2.741 N/A GLN 237.A N TYR 233.A O no hydrogen 3.124 N/A THR 238.A N ILE 234.A O no hydrogen 3.297 N/A THR 238.A OG1 ILE 234.A O no hydrogen 2.974 N/A LYS 239.A N LEU 235.A O no hydrogen 3.060 N/A ASN 243.A N ASP 240.A O no hydrogen 2.772 N/A LEU 245.A N LEU 241.A O no hydrogen 3.063 N/A ASN 246.A N THR 242.A O no hydrogen 3.228 N/A SER 247.A N HIS 244.A O no hydrogen 3.236 N/A SER 247.A OG HIS 244.A ND1 no hydrogen 3.360 N/A SER 247.A OG HIS 244.A O no hydrogen 2.698 N/A THR 249.A N ASP 252.A OD2 no hydrogen 3.014 N/A ASP 252.A N THR 249.A O no hydrogen 2.994 N/A ILE 254.A N ALA 250.A O no hydrogen 3.290 N/A SER 255.A N ALA 251.A O no hydrogen 3.138 N/A THR 256.A N ASP 252.A O no hydrogen 3.068 N/A THR 256.A OG1 TYR 67.A OH no hydrogen 3.000 N/A THR 256.A OG1 ASP 252.A O no hydrogen 2.937 N/A THR 256.A OG1 GLU 253.A O no hydrogen 3.263 N/A PHE 257.A N GLU 253.A O no hydrogen 3.153 N/A SER 258.A N ILE 254.A O no hydrogen 3.178 N/A SER 258.A OG ILE 254.A O no hydrogen 2.886 N/A LYS 259.A N SER 255.A O no hydrogen 3.196 N/A GLU 260.A N THR 256.A O no hydrogen 3.069 N/A ASN 261.A N PHE 257.A O no hydrogen 3.024 N/A