Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ie3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A N ASP 71.A OD2 no hydrogen 2.944 N/A LYS 2.A NZ GLU 68.A O no hydrogen 3.195 N/A VAL 3.A N GLU 29.A O no hydrogen 2.940 N/A ALA 4.A N VAL 72.A O no hydrogen 2.675 N/A VAL 5.A N SER 31.A O no hydrogen 3.020 N/A LEU 6.A N LEU 74.A O no hydrogen 2.925 N/A GLY 7.A N TYR 33.A O no hydrogen 2.698 N/A ALA 8.A N TYR 33.A O no hydrogen 3.108 N/A ALA 9.A N ASP 34.A OD2 no hydrogen 3.032 N/A GLY 10.A N GLY 7.A O no hydrogen 3.283 N/A GLN 14.A N GLY 10.A O no hydrogen 2.728 N/A GLN 14.A NE2 ALA 9.A O no hydrogen 2.910 N/A ALA 15.A N GLY 11.A O no hydrogen 3.247 N/A LEU 16.A N ILE 12.A O no hydrogen 2.977 N/A ALA 17.A N GLY 13.A O no hydrogen 2.837 N/A LEU 18.A N GLN 14.A O no hydrogen 2.895 N/A LEU 19.A N ALA 15.A O no hydrogen 3.368 N/A LEU 20.A N LEU 16.A O no hydrogen 2.896 N/A LYS 21.A N ALA 17.A O no hydrogen 2.935 N/A LYS 21.A NZ ILE 49.A O no hydrogen 3.163 N/A LYS 21.A NZ THR 51.A OG1 no hydrogen 2.465 N/A LYS 21.A NZ VAL 53.A O no hydrogen 3.006 N/A THR 22.A OG1 LEU 19.A O no hydrogen 3.345 N/A GLN 23.A N LEU 20.A O no hydrogen 3.326 N/A LEU 24.A N LEU 20.A O no hydrogen 2.907 N/A GLY 27.A N ALA 52.A O no hydrogen 2.689 N/A SER 28.A N PRO 25.A O no hydrogen 3.317 N/A SER 28.A OG MET 1.A O no hydrogen 3.379 N/A GLU 29.A N MET 1.A O no hydrogen 2.970 N/A LEU 30.A N LYS 54.A O no hydrogen 2.923 N/A SER 31.A N VAL 3.A O no hydrogen 3.033 N/A SER 31.A OG ALA 66.A O no hydrogen 2.837 N/A LEU 32.A N LYS 56.A O no hydrogen 2.697 N/A TYR 33.A N VAL 5.A O no hydrogen 2.832 N/A TYR 33.A OH GLY 60.A O no hydrogen 2.771 N/A ALA 36.A N ASP 34.A OD1 no hydrogen 2.831 N/A THR 39.A N ALA 36.A O no hydrogen 3.172 N/A THR 39.A OG1 ASP 34.A O no hydrogen 3.276 N/A THR 39.A OG1 ALA 36.A O no hydrogen 2.575 N/A THR 39.A OG1 SER 59.A OG no hydrogen 3.273 N/A GLY 41.A N VAL 38.A O no hydrogen 2.871 N/A VAL 42.A N VAL 38.A O no hydrogen 3.161 N/A ALA 43.A N THR 39.A O no hydrogen 3.301 N/A VAL 44.A N PRO 40.A O no hydrogen 3.251 N/A ASP 45.A N GLY 41.A O no hydrogen 2.828 N/A LEU 46.A N VAL 42.A O no hydrogen 2.964 N/A SER 47.A N ALA 43.A O no hydrogen 2.837 N/A SER 47.A OG VAL 44.A O no hydrogen 2.613 N/A ILE 49.A N LEU 46.A O no hydrogen 3.033 N/A THR 51.A N ILE 49.A O no hydrogen 2.950 N/A THR 51.A OG1 LYS 21.A O no hydrogen 2.836 N/A LYS 54.A N SER 28.A O no hydrogen 3.287 N/A LYS 56.A N LEU 30.A O no hydrogen 3.099 N/A PHE 58.A N LEU 32.A O no hydrogen 3.026 N/A SER 59.A OG ASP 34.A O no hydrogen 3.099 N/A SER 59.A OG THR 39.A OG1 no hydrogen 3.273 N/A ALA 63.A N GLN 104.A OE1 no hydrogen 3.009 N/A THR 64.A N ASP 62.A OD1 no hydrogen 2.535 N/A THR 64.A OG1 ASP 62.A OD1 no hydrogen 2.439 N/A THR 64.A OG1 ASP 62.A OD2 no hydrogen 3.102 N/A LEU 67.A N ALA 63.A O no hydrogen 3.020 N/A GLU 68.A N THR 64.A O no hydrogen 2.854 N/A ALA 70.A N LEU 67.A O no hydrogen 2.967 N/A ASP 71.A N LYS 2.A O no hydrogen 2.789 N/A VAL 72.A N LYS 2.A O no hydrogen 3.170 N/A VAL 73.A N CYS 113.A O no hydrogen 2.966 N/A LEU 74.A N ALA 4.A O no hydrogen 2.803 N/A ILE 75.A N GLY 115.A O no hydrogen 2.842 N/A SER 76.A N LEU 6.A O no hydrogen 2.928 N/A SER 76.A OG LEU 6.A O no hydrogen 3.402 N/A SER 76.A OG GLY 7.A O no hydrogen 3.460 N/A ARG 81.A NH1 ARG 81.A O no hydrogen 2.945 N/A ARG 81.A NH2 GLY 220.A O no hydrogen 3.183 N/A MET 85.A N LYS 82.A O no hydrogen 3.432 N/A ASP 86.A N ASP 89.A OD2 no hydrogen 2.506 N/A SER 88.A OG ASP 86.A OD1 no hydrogen 2.830 N/A SER 88.A OG ASP 86.A OD2 no hydrogen 3.340 N/A LEU 90.A N ASP 86.A O no hydrogen 3.341 N/A PHE 91.A N ARG 87.A O no hydrogen 3.437 N/A ASN 92.A N SER 88.A O no hydrogen 2.830 N/A VAL 93.A N ASP 89.A O no hydrogen 2.909 N/A ASN 94.A N LEU 90.A O no hydrogen 2.798 N/A ASN 94.A ND2 VAL 79.A O no hydrogen 3.179 N/A ASN 94.A ND2 ASN 119.A O no hydrogen 2.789 N/A ALA 95.A N PHE 91.A O no hydrogen 2.859 N/A ILE 97.A N VAL 93.A O no hydrogen 3.226 N/A VAL 98.A N ASN 94.A O no hydrogen 2.923 N/A LYS 99.A N ALA 95.A O no hydrogen 2.871 N/A ASN 100.A N GLY 96.A O no hydrogen 2.955 N/A LEU 101.A N ILE 97.A O no hydrogen 2.991 N/A VAL 102.A N VAL 98.A O no hydrogen 2.855 N/A GLN 103.A N LYS 99.A O no hydrogen 3.018 N/A GLN 103.A NE2 GLN 103.A O no hydrogen 3.561 N/A GLN 104.A N ASN 100.A O no hydrogen 2.893 N/A GLN 104.A NE2 GLU 61.A O no hydrogen 3.332 N/A GLN 104.A NE2 ASN 100.A OD1 no hydrogen 2.923 N/A VAL 105.A N LEU 101.A O no hydrogen 2.936 N/A ALA 106.A N VAL 102.A O no hydrogen 2.777 N/A LYS 107.A N GLN 103.A O no hydrogen 3.245 N/A THR 108.A N GLN 104.A O no hydrogen 3.014 N/A THR 108.A OG1 GLN 104.A O no hydrogen 3.042 N/A CYS 109.A N VAL 105.A O no hydrogen 2.801 N/A CYS 109.A SG LEU 67.A O no hydrogen 3.661 N/A CYS 109.A SG VAL 105.A O no hydrogen 3.922 N/A ALA 112.A N CYS 109.A O no hydrogen 3.015 N/A CYS 113.A N ASP 71.A O no hydrogen 3.056 N/A ILE 114.A N LYS 142.A O no hydrogen 2.769 N/A GLY 115.A N VAL 73.A O no hydrogen 2.872 N/A ILE 116.A N PHE 144.A O no hydrogen 2.748 N/A ILE 117.A N ILE 75.A O no hydrogen 2.794 N/A THR 118.A N ILE 75.A O no hydrogen 3.266 N/A THR 118.A OG1 ILE 75.A O no hydrogen 3.357 N/A THR 118.A OG1 ALA 77.A O no hydrogen 2.592 N/A VAL 121.A N ASN 119.A OD1 no hydrogen 3.037 N/A ASN 122.A ND2 THR 181.A OG1 no hydrogen 3.307 N/A ASN 122.A ND2 ASP 302.A OD2 no hydrogen 3.067 N/A THR 123.A OG1 ASP 302.A O no hydrogen 2.910 N/A THR 124.A N PRO 120.A O no hydrogen 2.769 N/A THR 124.A OG1 THR 118.A O no hydrogen 2.858 N/A THR 124.A OG1 PRO 120.A O no hydrogen 2.903 N/A THR 124.A OG1 VAL 121.A O no hydrogen 3.380 N/A VAL 125.A N VAL 121.A O no hydrogen 3.171 N/A ILE 127.A N THR 123.A O no hydrogen 3.180 N/A ALA 128.A N THR 124.A O no hydrogen 3.020 N/A ALA 129.A N VAL 125.A O no hydrogen 2.777 N/A GLU 130.A N ALA 126.A O no hydrogen 2.891 N/A VAL 131.A N ILE 127.A O no hydrogen 2.882 N/A LEU 132.A N ALA 128.A O no hydrogen 3.053 N/A LYS 133.A N ALA 129.A O no hydrogen 3.121 N/A LYS 133.A NZ GLU 130.A OE2 no hydrogen 2.584 N/A LYS 134.A N GLU 130.A O no hydrogen 3.255 N/A ALA 135.A N LEU 132.A O no hydrogen 3.219 N/A GLY 136.A N LYS 133.A O no hydrogen 2.905 N/A VAL 137.A N LEU 132.A O no hydrogen 3.115 N/A ASN 141.A N ASP 139.A OD1 no hydrogen 2.917 N/A LYS 142.A N ASP 139.A O no hydrogen 2.712 N/A LYS 142.A NZ LYS 111.A O no hydrogen 3.140 N/A PHE 144.A N ILE 114.A O no hydrogen 2.862 N/A GLY 145.A N TYR 253.A O no hydrogen 2.929 N/A VAL 146.A N ILE 116.A O no hydrogen 2.825 N/A THR 147.A OG1 CYS 251.A O no hydrogen 3.398 N/A THR 147.A OG1 SER 265.A OG no hydrogen 3.355 N/A ASP 150.A N THR 147.A O no hydrogen 2.979 N/A ILE 152.A N THR 148.A O no hydrogen 3.075 N/A CYS 153.A N LEU 149.A O no hydrogen 3.081 N/A CYS 153.A SG LEU 149.A O no hydrogen 3.464 N/A SER 154.A N ASP 150.A O no hydrogen 3.065 N/A SER 154.A OG ASP 150.A O no hydrogen 2.877 N/A ASN 155.A N ILE 151.A O no hydrogen 2.997 N/A ASN 155.A ND2 GLU 170.A OE1 no hydrogen 2.834 N/A THR 156.A N ILE 152.A O no hydrogen 2.883 N/A THR 156.A OG1 ILE 152.A O no hydrogen 2.955 N/A PHE 157.A N CYS 153.A O no hydrogen 2.794 N/A VAL 158.A N SER 154.A O no hydrogen 2.796 N/A ALA 159.A N ASN 155.A O no hydrogen 3.008 N/A GLU 160.A N THR 156.A O no hydrogen 3.022 N/A LEU 161.A N PHE 157.A O no hydrogen 3.038 N/A LYS 162.A N VAL 158.A O no hydrogen 2.905 N/A LYS 162.A NZ SER 193.A O no hydrogen 3.494 N/A LYS 162.A NZ GLU 198.A OE1 no hydrogen 3.365 N/A LYS 164.A N ALA 159.A O no hydrogen 2.856 N/A GLU 168.A N GLN 165.A O no hydrogen 2.730 N/A VAL 171.A N ASN 155.A OD1 no hydrogen 2.782 N/A ILE 174.A N LEU 183.A O no hydrogen 2.866 N/A GLY 175.A N SER 265.A O no hydrogen 3.048 N/A GLY 176.A N THR 181.A O no hydrogen 2.468 N/A HIS 177.A N ASN 122.A OD1 no hydrogen 2.831 N/A HIS 177.A ND1 ASP 150.A OD2 no hydrogen 2.427 N/A SER 178.A OG THR 181.A OG1 no hydrogen 2.909 N/A THR 181.A N SER 178.A O no hydrogen 2.729 N/A THR 181.A OG1 SER 178.A O no hydrogen 2.567 N/A THR 181.A OG1 SER 178.A OG no hydrogen 2.909 N/A LEU 183.A N ILE 174.A O no hydrogen 2.928 N/A LEU 185.A N PRO 172.A O no hydrogen 2.912 N/A LEU 186.A N PRO 184.A O no hydrogen 2.824 N/A SER 187.A N GLU 288.A OE2 no hydrogen 2.976 N/A SER 187.A OG GLU 288.A OE1 no hydrogen 3.008 N/A SER 187.A OG GLU 288.A OE2 no hydrogen 3.089 N/A GLN 188.A N LEU 185.A O no hydrogen 2.995 N/A GLN 188.A NE2 ILE 281.A O no hydrogen 2.850 N/A GLN 188.A NE2 THR 283.A O no hydrogen 2.864 N/A VAL 192.A N PRO 190.A O no hydrogen 2.774 N/A THR 195.A N GLU 198.A OE1 no hydrogen 3.097 N/A GLN 197.A NE2 GLN 197.A O no hydrogen 3.158 N/A GLN 197.A NE2 ASP 201.A OD1 no hydrogen 2.877 N/A GLN 197.A NE2 ASP 201.A OD2 no hydrogen 3.305 N/A VAL 199.A N THR 195.A O no hydrogen 2.801 N/A ALA 200.A N GLU 196.A O no hydrogen 3.040 N/A ASP 201.A N GLN 197.A O no hydrogen 2.902 N/A LEU 202.A N GLU 198.A O no hydrogen 2.824 N/A THR 203.A N VAL 199.A O no hydrogen 3.157 N/A THR 203.A OG1 VAL 199.A O no hydrogen 2.497 N/A LYS 204.A N ALA 200.A O no hydrogen 3.249 N/A ARG 205.A N ASP 201.A O no hydrogen 2.928 N/A ARG 205.A NH1 GLU 160.A OE1 no hydrogen 3.313 N/A ILE 206.A N LEU 202.A O no hydrogen 2.796 N/A GLN 207.A N THR 203.A O no hydrogen 3.066 N/A GLN 207.A NE2 ILE 182.A O no hydrogen 2.921 N/A ASN 208.A N LYS 204.A O no hydrogen 3.049 N/A ASN 208.A ND2 LYS 204.A O no hydrogen 3.011 N/A GLU 212.A N ASN 208.A O no hydrogen 2.942 N/A VAL 213.A N ALA 209.A O no hydrogen 3.156 N/A VAL 213.A N GLY 210.A O no hydrogen 2.954 N/A VAL 214.A N GLY 210.A O no hydrogen 3.139 N/A GLU 215.A N THR 211.A O no hydrogen 3.033 N/A ALA 216.A N GLU 212.A O no hydrogen 3.348 N/A LYS 217.A N VAL 213.A O no hydrogen 2.880 N/A LYS 217.A NZ SER 222.A O no hydrogen 3.143 N/A ALA 218.A N GLU 215.A O no hydrogen 3.230 N/A GLY 219.A N VAL 214.A O no hydrogen 3.437 N/A GLY 220.A N LYS 217.A O no hydrogen 2.611 N/A GLY 228.A N THR 224.A O no hydrogen 2.823 N/A GLN 229.A N LEU 225.A O no hydrogen 3.103 N/A ALA 230.A N SER 226.A O no hydrogen 2.819 N/A ALA 231.A N MET 227.A O no hydrogen 2.804 N/A ALA 232.A N GLY 228.A O no hydrogen 2.982 N/A ARG 233.A N GLN 229.A O no hydrogen 3.109 N/A ARG 233.A NE GLU 250.A OE1 no hydrogen 3.439 N/A ARG 233.A NE GLU 250.A OE2 no hydrogen 3.164 N/A ARG 233.A NH1 GLU 170.A OE1 no hydrogen 3.537 N/A ARG 233.A NH2 GLU 170.A OE2 no hydrogen 2.432 N/A ARG 233.A NH2 GLU 250.A OE2 no hydrogen 2.505 N/A PHE 234.A N ALA 230.A O no hydrogen 3.180 N/A GLY 235.A N ALA 231.A O no hydrogen 2.713 N/A LEU 236.A N ALA 232.A O no hydrogen 2.884 N/A SER 237.A N ARG 233.A O no hydrogen 2.995 N/A SER 237.A OG ARG 233.A O no hydrogen 3.072 N/A SER 237.A OG GLU 250.A OE1 no hydrogen 2.755 N/A LEU 238.A N PHE 234.A O no hydrogen 3.175 N/A VAL 239.A N GLY 235.A O no hydrogen 3.049 N/A ARG 240.A N LEU 236.A O no hydrogen 2.779 N/A ARG 240.A NE GLU 245.A OE1 no hydrogen 2.494 N/A ARG 240.A NH2 GLU 245.A OE1 no hydrogen 3.275 N/A ALA 241.A N SER 237.A O no hydrogen 2.993 N/A LEU 242.A N LEU 238.A O no hydrogen 2.638 N/A GLN 243.A N ARG 240.A O no hydrogen 2.980 N/A GLY 244.A N ALA 241.A O no hydrogen 3.254 N/A GLU 245.A N ARG 240.A O no hydrogen 3.205 N/A GLU 250.A N LEU 268.A O no hydrogen 2.926 N/A CYS 251.A SG VAL 173.A O no hydrogen 3.610 N/A TYR 253.A N GLY 145.A O no hydrogen 3.157 N/A TYR 253.A OH ASN 122.A O no hydrogen 2.894 N/A VAL 254.A N PHE 264.A O no hydrogen 3.224 N/A GLY 256.A N ARG 262.A O no hydrogen 3.387 N/A GLN 259.A N ASP 257.A O no hydrogen 2.395 N/A ARG 262.A NE GLN 307.A OE1 no hydrogen 2.556 N/A ARG 262.A NH2 GLU 130.A OE2 no hydrogen 2.635 N/A ARG 262.A NH2 GLN 307.A OE1 no hydrogen 2.721 N/A PHE 264.A N VAL 254.A O no hydrogen 2.898 N/A SER 265.A N GLY 175.A O no hydrogen 2.850 N/A SER 265.A OG THR 147.A OG1 no hydrogen 3.355 N/A SER 265.A OG ALA 252.A O no hydrogen 2.952 N/A GLN 266.A N ALA 252.A O no hydrogen 3.090 N/A GLN 266.A NE2 LYS 279.A O no hydrogen 2.986 N/A LEU 268.A N GLU 250.A O no hydrogen 2.846 N/A LEU 269.A N GLU 277.A O no hydrogen 2.892 N/A LEU 270.A N VAL 248.A O no hydrogen 2.916 N/A GLY 271.A N GLY 274.A O no hydrogen 2.848 N/A GLY 274.A N GLY 271.A O no hydrogen 3.123 N/A VAL 275.A N ASN 141.A O no hydrogen 2.779 N/A GLU 276.A N LEU 269.A O no hydrogen 2.698 N/A GLU 277.A N LEU 269.A O no hydrogen 3.351 N/A ARG 278.A NE GLU 255.A O no hydrogen 2.818 N/A ARG 278.A NH1 ASN 141.A OD1 no hydrogen 2.977 N/A ARG 278.A NH2 ASN 141.A OD1 no hydrogen 3.491 N/A ARG 278.A NH2 GLU 255.A O no hydrogen 2.633 N/A LYS 279.A N PRO 267.A O no hydrogen 2.931 N/A GLY 282.A N SER 280.A OG no hydrogen 3.139 N/A SER 285.A N GLU 288.A OE1 no hydrogen 3.257 N/A GLU 288.A N SER 285.A OG no hydrogen 3.304 N/A GLN 289.A N SER 285.A O no hydrogen 2.861 N/A GLN 289.A NE2 LEU 284.A O no hydrogen 3.109 N/A ASN 290.A N ALA 286.A O no hydrogen 2.955 N/A ALA 291.A N PHE 287.A O no hydrogen 2.987 N/A LEU 292.A N GLU 288.A O no hydrogen 3.024 N/A GLU 293.A N GLN 289.A O no hydrogen 3.022 N/A GLY 294.A N ASN 290.A O no hydrogen 3.137 N/A MET 295.A N LEU 292.A O no hydrogen 3.018 N/A LEU 299.A N MET 295.A O no hydrogen 2.984 N/A LYS 300.A N LEU 296.A O no hydrogen 3.005 N/A LYS 301.A N ASP 297.A O no hydrogen 3.112 N/A ASP 302.A N THR 298.A O no hydrogen 3.107 N/A ILE 303.A N LEU 299.A O no hydrogen 2.953 N/A ALA 304.A N LYS 300.A O no hydrogen 2.769 N/A LEU 305.A N LYS 301.A O no hydrogen 2.808 N/A GLY 306.A N ASP 302.A O no hydrogen 3.214 N/A GLN 307.A N ILE 303.A O no hydrogen 3.021 N/A GLU 308.A N ALA 304.A O no hydrogen 2.966 N/A PHE 309.A N LEU 305.A O no hydrogen 3.199 N/A PHE 309.A N GLY 306.A O no hydrogen 3.018 N/A VAL 310.A N GLN 307.A O no hydrogen 3.173 N/A ASN 311.A N GLN 307.A O no hydrogen 3.076 N/A ASN 311.A ND2 GLU 130.A OE1 no hydrogen 3.126 N/A LYS 312.A NZ VAL 310.A O no hydrogen 3.356 N/A