Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ay0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PRO 1.A N LYS 62.A O no hydrogen 3.006 N/A CYS 3.A N VAL 60.A O no hydrogen 2.870 N/A LEU 4.A N LEU 39.A O no hydrogen 3.166 N/A LYS 5.A N GLU 58.A O no hydrogen 2.870 N/A ILE 6.A N LEU 37.A O no hydrogen 3.249 N/A LYS 8.A N ASN 35.A O no hydrogen 2.741 N/A LYS 8.A NZ GLY 34.A O no hydrogen 3.282 N/A HIS 10.A N ASN 7.A O no hydrogen 3.094 N/A GLY 11.A N LYS 8.A O no hydrogen 2.837 N/A THR 14.A N HIS 10.A O no hydrogen 2.843 N/A THR 14.A OG1 HIS 10.A O no hydrogen 2.684 N/A ARG 15.A N GLY 11.A O no hydrogen 2.745 N/A ARG 16.A N GLU 12.A O no hydrogen 2.916 N/A ARG 16.A NH1 GLU 20.A OE2 no hydrogen 3.400 N/A LEU 18.A N THR 14.A O no hydrogen 3.069 N/A ILE 19.A N ARG 15.A O no hydrogen 3.282 N/A GLU 20.A N ARG 16.A O no hydrogen 2.876 N/A ASN 21.A N ILE 17.A O no hydrogen 3.078 N/A ASN 21.A N LEU 18.A O no hydrogen 3.295 N/A ASN 21.A ND2 ILE 17.A O no hydrogen 3.068 N/A ASN 22.A N ILE 19.A O no hydrogen 2.542 N/A ASN 22.A ND2 VAL 301.A O no hydrogen 3.546 N/A LEU 23.A N LEU 18.A O no hydrogen 2.693 N/A LEU 24.A N LEU 18.A O no hydrogen 3.337 N/A ASN 25.A N PRO 40.A O no hydrogen 2.788 N/A ASP 27.A N ASN 25.A OD1 no hydrogen 2.503 N/A SER 32.A OG TYR 36.A O no hydrogen 3.241 N/A GLU 33.A N TYR 36.A O no hydrogen 3.122 N/A TYR 36.A N GLU 33.A O no hydrogen 3.327 N/A LEU 37.A N ILE 6.A O no hydrogen 2.967 N/A TYR 38.A N THR 31.A O no hydrogen 3.019 N/A LEU 39.A N LEU 4.A O no hydrogen 3.216 N/A ILE 41.A N LEU 2.A O no hydrogen 2.962 N/A LYS 42.A N LEU 23.A O no hydrogen 3.092 N/A LYS 42.A NZ ASN 22.A O no hydrogen 2.738 N/A LYS 42.A NZ LEU 24.A O no hydrogen 3.092 N/A ASP 45.A N TYR 309.A OH no hydrogen 3.022 N/A ASP 47.A N ASP 45.A OD2 no hydrogen 3.163 N/A LEU 49.A N ASP 45.A O no hydrogen 3.413 N/A LYS 50.A N ASP 47.A O no hydrogen 2.881 N/A SER 51.A N ILE 48.A O no hydrogen 3.147 N/A SER 51.A OG ILE 48.A O no hydrogen 2.516 N/A ILE 52.A N LEU 49.A O no hydrogen 3.168 N/A GLU 58.A N LYS 5.A O no hydrogen 3.216 N/A VAL 60.A N CYS 3.A O no hydrogen 2.975 N/A LYS 62.A N PRO 1.A O no hydrogen 2.764 N/A SER 68.A OG SER 68.A O no hydrogen 2.446 N/A ILE 73.A N PHE 69.A O no hydrogen 3.189 N/A SER 74.A N ARG 70.A O no hydrogen 3.278 N/A LYS 75.A N GLU 71.A O no hydrogen 3.182 N/A LYS 76.A N ILE 72.A O no hydrogen 3.058 N/A ARG 78.A N LYS 75.A O no hydrogen 3.521 N/A GLU 80.A N TYR 77.A O no hydrogen 2.888 N/A ILE 81.A N TYR 77.A O no hydrogen 3.056 N/A ASP 82.A N ARG 78.A O no hydrogen 3.021 N/A ILE 86.A N GLY 84.A O no hydrogen 2.412 N/A SER 87.A N GLN 100.A O no hydrogen 3.353 N/A SER 87.A OG SER 89.A OG no hydrogen 2.749 N/A SER 89.A OG SER 87.A OG no hydrogen 2.749 N/A ASP 91.A N ILE 98.A O no hydrogen 3.323 N/A VAL 93.A N LEU 96.A O no hydrogen 2.821 N/A GLY 94.A N HIS 146.A ND1 no hydrogen 3.117 N/A LEU 96.A N VAL 93.A O no hydrogen 2.824 N/A VAL 97.A N GLY 125.A O no hydrogen 3.095 N/A ILE 98.A N ASP 91.A O no hydrogen 3.009 N/A LEU 99.A N PHE 127.A O no hydrogen 2.767 N/A SER 102.A N LEU 85.A O no hydrogen 2.866 N/A VAL 105.A N ASP 103.A O no hydrogen 2.601 N/A LYS 108.A NZ ASP 106.A OD2 no hydrogen 3.344 N/A ILE 109.A N ASP 106.A O no hydrogen 2.605 N/A ARG 110.A N ASP 106.A O no hydrogen 2.852 N/A LYS 111.A N GLU 107.A O no hydrogen 2.472 N/A GLU 115.A N LYS 111.A O no hydrogen 2.832 N/A LEU 116.A N GLU 112.A O no hydrogen 2.926 N/A LEU 116.A N ILE 113.A O no hydrogen 3.288 N/A ALA 117.A N GLY 114.A O no hydrogen 2.609 N/A TYR 118.A N GLY 114.A O no hydrogen 2.812 N/A CYS 123.A SG ILE 121.A O no hydrogen 3.773 N/A CYS 123.A SG GLY 125.A O no hydrogen 3.239 N/A LYS 124.A N ASP 95.A O no hydrogen 2.807 N/A VAL 126.A N ALA 137.A O no hydrogen 3.140 N/A PHE 127.A N VAL 97.A O no hydrogen 2.963 N/A ARG 128.A N GLU 134.A O no hydrogen 3.245 N/A ARG 128.A NE GLU 134.A OE1 no hydrogen 2.861 N/A ARG 128.A NH1 ILE 101.A O no hydrogen 3.480 N/A ARG 128.A NH1 ASP 103.A OD1 no hydrogen 3.212 N/A ARG 128.A NH2 GLU 134.A OE1 no hydrogen 2.650 N/A ARG 129.A N LEU 99.A O no hydrogen 3.243 N/A ARG 131.A NH1 GLU 132.A OE1 no hydrogen 3.178 N/A GLU 134.A N ARG 128.A O no hydrogen 3.169 N/A LEU 136.A N VAL 126.A O no hydrogen 2.838 N/A ALA 137.A N VAL 126.A O no hydrogen 3.334 N/A GLU 139.A N LYS 124.A O no hydrogen 2.550 N/A ARG 141.A NE GLU 139.A OE1 no hydrogen 3.218 N/A THR 142.A OG1 ASP 156.A OD1 no hydrogen 2.880 N/A THR 144.A N VAL 155.A O no hydrogen 2.617 N/A THR 144.A OG1 ASP 95.A OD2 no hydrogen 3.019 N/A ILE 145.A N THR 144.A OG1 no hydrogen 2.517 N/A HIS 146.A N LEU 153.A O no hydrogen 2.594 N/A GLU 148.A N TYR 151.A O no hydrogen 3.172 N/A ASN 149.A ND2 TYR 151.A OH no hydrogen 3.070 N/A ASN 149.A ND2 GLY 167.A O no hydrogen 3.265 N/A TYR 151.A N GLU 148.A O no hydrogen 3.096 N/A TYR 151.A OH GLU 148.A OE1 no hydrogen 3.007 N/A LEU 153.A N HIS 146.A O no hydrogen 2.703 N/A TRP 154.A N ASN 219.A OD1 no hydrogen 2.453 N/A VAL 155.A N THR 144.A O no hydrogen 2.891 N/A ALA 158.A N ASP 156.A OD1 no hydrogen 3.329 N/A LYS 159.A N ASP 156.A O no hydrogen 2.768 N/A ARG 165.A NH1 ASP 91.A OD1 no hydrogen 2.994 N/A LEU 166.A N SER 163.A O no hydrogen 3.151 N/A GLY 167.A N PRO 164.A O no hydrogen 3.238 N/A GLU 169.A N LEU 166.A O no hydrogen 2.783 N/A ARG 170.A N LEU 166.A O no hydrogen 3.384 N/A ARG 170.A NH1 GLU 148.A OE1 no hydrogen 3.170 N/A ARG 170.A NH1 SER 163.A O no hydrogen 3.241 N/A ALA 171.A N GLY 167.A O no hydrogen 2.864 N/A ARG 172.A N GLY 168.A O no hydrogen 3.060 N/A ILE 173.A N GLU 169.A O no hydrogen 3.071 N/A MET 174.A N ARG 170.A O no hydrogen 2.900 N/A LYS 175.A N ALA 171.A O no hydrogen 3.275 N/A LYS 175.A N ARG 172.A O no hydrogen 3.281 N/A LYS 176.A N ILE 173.A O no hydrogen 2.924 N/A LYS 176.A NZ GLU 297.A OE2 no hydrogen 3.258 N/A LYS 176.A NZ ASP 314.A OD2 no hydrogen 2.857 N/A VAL 177.A N ILE 173.A O no hydrogen 3.285 N/A SER 178.A N ASP 181.A OD2 no hydrogen 2.667 N/A SER 178.A OG ASP 181.A OD2 no hydrogen 3.388 N/A ASP 181.A N SER 178.A O no hydrogen 3.132 N/A VAL 182.A N ASN 244.A OD1 no hydrogen 2.538 N/A VAL 183.A N LYS 202.A O no hydrogen 2.954 N/A VAL 184.A N ARG 245.A O no hydrogen 3.026 N/A ASP 185.A N TYR 204.A O no hydrogen 2.604 N/A MET 186.A N ILE 247.A O no hydrogen 3.187 N/A ALA 188.A N ILE 206.A O no hydrogen 2.934 N/A GLY 189.A N ASP 207.A OD2 no hydrogen 2.978 N/A GLY 191.A N ALA 188.A O no hydrogen 2.936 N/A SER 194.A OG ASP 185.A OD2 no hydrogen 3.100 N/A ILE 195.A N GLY 191.A O no hydrogen 3.227 N/A ALA 196.A N PRO 192.A O no hydrogen 3.256 N/A CYS 197.A N SER 194.A O no hydrogen 3.336 N/A CYS 197.A SG PHE 193.A O no hydrogen 3.109 N/A ALA 200.A N CYS 197.A O no hydrogen 3.240 N/A LYS 201.A N ASP 181.A O no hydrogen 3.066 N/A LYS 202.A NZ TYR 204.A OH no hydrogen 2.915 N/A ILE 203.A N LYS 228.A O no hydrogen 2.981 N/A TYR 204.A N VAL 183.A O no hydrogen 2.546 N/A ALA 205.A N ILE 230.A O no hydrogen 3.018 N/A ILE 206.A N ASP 185.A O no hydrogen 3.066 N/A ASP 207.A N ILE 232.A O no hydrogen 3.132 N/A ASN 209.A N ASP 207.A OD1 no hydrogen 2.640 N/A ASN 209.A ND2 LYS 159.A O no hydrogen 3.071 N/A HIS 211.A N ASN 209.A OD1 no hydrogen 2.876 N/A ALA 212.A N ASN 209.A O no hydrogen 2.833 N/A ILE 213.A N ASN 209.A O no hydrogen 3.251 N/A ILE 213.A N PRO 210.A O no hydrogen 2.965 N/A GLU 214.A N PRO 210.A O no hydrogen 2.827 N/A LEU 215.A N HIS 211.A O no hydrogen 3.149 N/A LEU 216.A N ALA 212.A O no hydrogen 3.157 N/A LYS 217.A N ILE 213.A O no hydrogen 3.116 N/A LYS 218.A N GLU 214.A O no hydrogen 3.408 N/A LYS 218.A NZ GLU 214.A OE1 no hydrogen 2.926 N/A ASN 219.A N LEU 215.A O no hydrogen 2.925 N/A ASN 219.A ND2 TRP 154.A O no hydrogen 3.540 N/A ASN 219.A ND2 VAL 190.A O no hydrogen 2.775 N/A ILE 220.A N LEU 216.A O no hydrogen 2.836 N/A LYS 221.A N LYS 217.A O no hydrogen 2.923 N/A LYS 221.A NZ GLU 226.A OE2 no hydrogen 2.445 N/A LEU 222.A N LYS 218.A O no hydrogen 2.850 N/A ASN 223.A N ASN 219.A O no hydrogen 2.972 N/A ASN 223.A ND2 ARG 152.A O no hydrogen 3.090 N/A ASN 223.A ND2 ASN 219.A O no hydrogen 3.242 N/A LYS 224.A N LYS 221.A O no hydrogen 3.153 N/A LYS 224.A NZ GLU 226.A OE2 no hydrogen 3.466 N/A LEU 225.A N ILE 220.A O no hydrogen 2.881 N/A GLU 226.A N GLU 226.A OE1 no hydrogen 2.291 N/A LYS 228.A N LEU 225.A O no hydrogen 3.234 N/A LYS 228.A NZ LYS 198.A O no hydrogen 3.368 N/A LYS 228.A NZ ALA 200.A O no hydrogen 2.448 N/A ILE 229.A N LEU 225.A O no hydrogen 2.979 N/A ILE 230.A N ILE 203.A O no hydrogen 2.861 N/A ILE 232.A N ALA 205.A O no hydrogen 2.797 N/A SER 234.A N ASP 207.A O no hydrogen 3.154 N/A SER 234.A OG ASP 235.A O no hydrogen 2.956 N/A ARG 237.A N ASP 235.A OD1 no hydrogen 2.806 N/A ARG 237.A NH2 LYS 256.A O no hydrogen 2.695 N/A GLU 238.A N ASP 235.A O no hydrogen 2.993 N/A VAL 239.A N VAL 236.A O no hydrogen 3.199 N/A LYS 242.A NZ ASP 263.A O no hydrogen 3.495 N/A LYS 242.A NZ ILE 264.A O no hydrogen 3.417 N/A LYS 242.A NZ VAL 265.A O no hydrogen 3.269 N/A GLY 243.A N ILE 264.A O no hydrogen 3.165 N/A ASN 244.A ND2 ASP 181.A OD1 no hydrogen 2.657 N/A ARG 245.A N VAL 182.A O no hydrogen 3.307 N/A ARG 245.A NE ASP 181.A OD2 no hydrogen 3.081 N/A ARG 245.A NH1 HIS 272.A NE2 no hydrogen 2.835 N/A VAL 246.A N VAL 270.A O no hydrogen 2.867 N/A ILE 247.A N VAL 184.A O no hydrogen 3.344 N/A MET 248.A N HIS 272.A O no hydrogen 2.882 N/A LEU 250.A N MET 248.A O no hydrogen 2.879 N/A PHE 253.A N LEU 250.A O no hydrogen 2.934 N/A ALA 254.A N LEU 250.A O no hydrogen 2.672 N/A LYS 256.A N PHE 253.A O no hydrogen 2.831 N/A PHE 257.A N ALA 254.A O no hydrogen 2.945 N/A ILE 258.A N HIS 255.A O no hydrogen 3.452 N/A LYS 260.A N PHE 257.A O no hydrogen 2.845 N/A LYS 260.A NZ VAL 239.A O no hydrogen 3.186 N/A LYS 260.A NZ ASP 263.A OD2 no hydrogen 3.563 N/A ALA 261.A N PHE 257.A O no hydrogen 3.176 N/A LEU 262.A N ILE 258.A O no hydrogen 2.960 N/A ASP 263.A N ASP 259.A O no hydrogen 3.265 N/A ASP 263.A N LYS 260.A O no hydrogen 2.849 N/A ILE 264.A N ALA 261.A O no hydrogen 3.049 N/A VAL 265.A N ALA 261.A O no hydrogen 2.954 N/A GLU 266.A N GLY 243.A O no hydrogen 2.994 N/A GLY 268.A N ILE 317.A O no hydrogen 2.769 N/A GLY 269.A N GLU 266.A O no hydrogen 3.279 N/A VAL 270.A N ASN 244.A O no hydrogen 3.074 N/A ILE 271.A N PHE 315.A O no hydrogen 2.696 N/A HIS 272.A N VAL 246.A O no hydrogen 2.593 N/A HIS 272.A ND1 ASP 314.A OD1 no hydrogen 2.902 N/A TYR 273.A N LEU 313.A O no hydrogen 2.943 N/A TYR 274.A OH GLU 169.A OE2 no hydrogen 2.590 N/A THR 275.A N LEU 311.A O no hydrogen 3.023 N/A ILE 276.A N THR 275.A OG1 no hydrogen 2.678 N/A GLY 277.A N TYR 309.A O no hydrogen 3.139 N/A LYS 282.A N ASP 279.A OD2 no hydrogen 3.028 N/A ILE 284.A N PHE 280.A O no hydrogen 2.971 N/A ILE 284.A N ASP 281.A O no hydrogen 2.817 N/A LYS 285.A N ASP 281.A O no hydrogen 2.690 N/A LEU 286.A N LYS 282.A O no hydrogen 3.188 N/A GLU 288.A N ILE 284.A O no hydrogen 2.671 N/A LYS 289.A N LYS 285.A O no hydrogen 2.806 N/A LYS 290.A N LEU 286.A O no hydrogen 3.434 N/A LYS 290.A NZ ASP 259.A OD1 no hydrogen 2.966 N/A LYS 290.A NZ ASP 259.A OD2 no hydrogen 3.455 N/A CYS 291.A N PHE 287.A O no hydrogen 2.724 N/A CYS 291.A SG PHE 287.A O no hydrogen 3.341 N/A ASP 292.A N LYS 319.A O no hydrogen 3.453 N/A CYS 293.A SG PHE 287.A O no hydrogen 3.189 N/A GLU 294.A N LYS 316.A O no hydrogen 2.800 N/A LEU 296.A N ASP 314.A O no hydrogen 2.673 N/A ARG 299.A N ALA 312.A O no hydrogen 2.854 N/A ARG 299.A NE GLU 297.A OE1 no hydrogen 3.135 N/A ARG 299.A NH1 GLU 169.A OE2 no hydrogen 3.164 N/A ARG 299.A NH2 GLU 169.A OE2 no hydrogen 3.099 N/A ILE 300.A N ASN 21.A OD1 no hydrogen 2.493 N/A VAL 301.A N ILE 310.A O no hydrogen 2.821 N/A LYS 302.A NZ SER 303.A O no hydrogen 3.367 N/A TYR 304.A N GLU 308.A O no hydrogen 2.523 N/A ALA 305.A N GLU 308.A O no hydrogen 3.240 N/A TYR 309.A N GLY 277.A O no hydrogen 3.087 N/A ILE 310.A N LYS 302.A O no hydrogen 2.825 N/A ALA 312.A N ARG 299.A O no hydrogen 2.837 N/A LEU 313.A N TYR 273.A O no hydrogen 2.740 N/A ASP 314.A N GLU 297.A O no hydrogen 2.850 N/A PHE 315.A N ILE 271.A O no hydrogen 3.034 N/A LYS 316.A N GLU 294.A O no hydrogen 2.738 N/A ILE 317.A N GLY 269.A O no hydrogen 2.862 N/A ASN 318.A N ASP 292.A O no hydrogen 3.067 N/A LYS 320.A N GLU 267.A OE2 no hydrogen 3.121 N/A LYS 320.A NZ VAL 265.A O no hydrogen 2.734 N/A