Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3p79_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH2 PRO 85.A O no hydrogen 2.644 N/A TYR 5.A N VAL 16.A O no hydrogen 3.086 N/A TYR 5.A OH TYR 20.A O no hydrogen 2.881 N/A GLN 7.A N TRP 14.A O no hydrogen 3.108 N/A LEU 9.A N THR 12.A O no hydrogen 2.573 N/A THR 12.A N LEU 9.A O no hydrogen 2.812 N/A THR 12.A OG1 ASN 10.A O no hydrogen 3.520 N/A TRP 14.A N GLN 7.A O no hydrogen 2.937 N/A GLU 15.A N TYR 96.A OH no hydrogen 3.171 N/A VAL 16.A N TYR 5.A O no hydrogen 3.180 N/A GLU 18.A N THR 3.A O no hydrogen 3.095 N/A ARG 19.A NE ASP 36.A OD1 no hydrogen 2.944 N/A ARG 19.A NE ASP 36.A OD2 no hydrogen 3.136 N/A ARG 19.A NH2 ASP 36.A OD2 no hydrogen 2.768 N/A TYR 20.A N PRO 17.A O no hydrogen 3.129 N/A TYR 20.A OH ASP 81.A OD1 no hydrogen 2.621 N/A GLN 21.A N PHE 35.A O no hydrogen 2.934 N/A SER 24.A N ALA 33.A O no hydrogen 2.883 N/A VAL 26.A N VAL 31.A O no hydrogen 3.119 N/A SER 30.A N LYS 47.A O no hydrogen 3.288 N/A VAL 31.A N GLY 27.A O no hydrogen 3.219 N/A CYS 32.A N VAL 45.A O no hydrogen 2.823 N/A ALA 33.A N SER 24.A O no hydrogen 2.809 N/A ALA 34.A N VAL 43.A O no hydrogen 2.910 N/A PHE 35.A N GLN 21.A O no hydrogen 2.769 N/A ASP 36.A N HIS 41.A O no hydrogen 2.798 N/A THR 37.A N ARG 19.A O no hydrogen 2.987 N/A THR 37.A OG1 ARG 19.A O no hydrogen 2.667 N/A LYS 38.A N ASP 36.A OD1 no hydrogen 3.004 N/A THR 39.A N ASP 36.A O no hydrogen 3.121 N/A THR 39.A OG1 ASP 36.A O no hydrogen 3.310 N/A HIS 41.A N THR 39.A OG1 no hydrogen 3.268 N/A VAL 43.A N ALA 34.A O no hydrogen 2.694 N/A ALA 44.A N THR 99.A O no hydrogen 2.902 N/A VAL 45.A N CYS 32.A O no hydrogen 2.723 N/A LYS 46.A N LEU 97.A O no hydrogen 2.905 N/A LYS 46.A NZ GLU 64.A OE1 no hydrogen 2.786 N/A LYS 46.A NZ GLU 64.A OE2 no hydrogen 3.118 N/A LYS 47.A N SER 30.A O no hydrogen 2.996 N/A LYS 47.A NZ ILE 13.A O no hydrogen 2.738 N/A LEU 48.A N VAL 95.A O no hydrogen 2.977 N/A GLN 53.A N ARG 50.A O no hydrogen 3.446 N/A HIS 57.A N SER 54.A OG no hydrogen 2.965 N/A ALA 58.A N SER 54.A O no hydrogen 2.922 N/A LYS 59.A N ILE 55.A O no hydrogen 2.937 N/A LYS 59.A NZ PHE 307.A O no hydrogen 3.551 N/A LYS 59.A NZ GLU 308.A O no hydrogen 2.550 N/A LYS 59.A NZ ARG 310.A O no hydrogen 2.934 N/A ARG 60.A N ILE 56.A O no hydrogen 2.954 N/A THR 61.A N HIS 57.A O no hydrogen 3.043 N/A THR 61.A OG1 PRO 51.A O no hydrogen 2.779 N/A THR 61.A OG1 HIS 57.A O no hydrogen 3.007 N/A TYR 62.A N ALA 58.A O no hydrogen 3.187 N/A ARG 63.A N LYS 59.A O no hydrogen 2.754 N/A ARG 63.A NE GLU 308.A OE1 no hydrogen 3.412 N/A ARG 63.A NE GLU 308.A OE2 no hydrogen 2.489 N/A ARG 63.A NH2 GLU 308.A OE1 no hydrogen 2.762 N/A GLU 64.A N ARG 60.A O no hydrogen 2.888 N/A LEU 65.A N THR 61.A O no hydrogen 3.074 N/A ARG 66.A N TYR 62.A O no hydrogen 3.060 N/A ARG 66.A NH1 TYR 62.A OH no hydrogen 2.838 N/A ARG 66.A NH2 ASP 304.A O no hydrogen 2.849 N/A LEU 67.A N ARG 63.A O no hydrogen 2.986 N/A LEU 68.A N GLU 64.A O no hydrogen 2.905 N/A LYS 69.A N LEU 65.A O no hydrogen 2.844 N/A LYS 69.A NZ GLU 324.A O no hydrogen 3.005 N/A LYS 69.A NZ GLU 324.A OE1 no hydrogen 2.625 N/A LYS 69.A NZ SER 327.A OG no hydrogen 2.969 N/A HIS 70.A N ARG 66.A O no hydrogen 3.039 N/A HIS 70.A N LEU 67.A O no hydrogen 2.950 N/A HIS 70.A NE2 ASP 301.A O no hydrogen 2.751 N/A MET 71.A N LEU 67.A O no hydrogen 3.053 N/A LYS 72.A N TYR 133.A OH no hydrogen 2.918 N/A ASN 75.A ND2 LEU 157.A O no hydrogen 3.051 N/A VAL 76.A N HIS 73.A O no hydrogen 3.108 N/A ILE 77.A N ILE 159.A O no hydrogen 2.779 N/A LEU 80.A N VAL 98.A O no hydrogen 2.707 N/A ASP 81.A N VAL 98.A O no hydrogen 3.375 N/A PHE 83.A N TYR 96.A O no hydrogen 2.993 N/A THR 84.A OG1 ASP 94.A O no hydrogen 2.970 N/A ALA 86.A N THR 84.A OG1 no hydrogen 3.203 N/A ARG 87.A N GLU 91.A OE1 no hydrogen 3.324 N/A ARG 87.A NE ARG 87.A O no hydrogen 3.206 N/A SER 88.A OG GLU 90.A OE2 no hydrogen 3.244 N/A GLU 91.A N SER 88.A OG no hydrogen 3.187 N/A PHE 92.A N SER 88.A O no hydrogen 2.958 N/A TYR 96.A N PHE 83.A O no hydrogen 2.936 N/A LEU 97.A N LYS 46.A O no hydrogen 2.884 N/A VAL 98.A N ASP 81.A O no hydrogen 2.857 N/A THR 99.A N ALA 44.A O no hydrogen 3.209 N/A THR 99.A OG1 GLY 78.A O no hydrogen 2.724 N/A LEU 101.A N ARG 42.A O no hydrogen 3.293 N/A LEU 106.A N LEU 149.A O no hydrogen 2.877 N/A ASN 108.A N ASP 105.A OD2 no hydrogen 3.109 N/A ILE 109.A N ASP 105.A O no hydrogen 3.290 N/A VAL 110.A N LEU 106.A O no hydrogen 3.014 N/A LYS 111.A N ASN 107.A O no hydrogen 2.866 N/A LYS 111.A NZ ASN 108.A O no hydrogen 3.152 N/A CYS 112.A N ASN 108.A O no hydrogen 3.411 N/A HIS 119.A N THR 116.A OG1 no hydrogen 3.298 N/A VAL 120.A N THR 116.A O no hydrogen 3.072 N/A GLN 121.A N ASP 117.A O no hydrogen 3.030 N/A GLN 121.A NE2 ASP 117.A OD2 no hydrogen 3.013 N/A PHE 122.A N ASP 118.A O no hydrogen 3.113 N/A LEU 123.A N HIS 119.A O no hydrogen 2.922 N/A ILE 124.A N VAL 120.A O no hydrogen 2.895 N/A TYR 125.A N GLN 121.A O no hydrogen 2.902 N/A TYR 125.A OH GLU 297.A OE1 no hydrogen 2.561 N/A GLN 126.A N PHE 122.A O no hydrogen 3.024 N/A GLN 126.A NE2 PHE 122.A O no hydrogen 3.394 N/A GLN 126.A NE2 CYS 155.A O no hydrogen 2.898 N/A ILE 127.A N LEU 123.A O no hydrogen 3.065 N/A LEU 128.A N ILE 124.A O no hydrogen 3.022 N/A ARG 129.A N TYR 125.A O no hydrogen 2.853 N/A ARG 129.A NE ASP 296.A O no hydrogen 2.868 N/A ARG 129.A NH1 ASN 75.A OD1 no hydrogen 2.785 N/A ARG 129.A NH2 ASP 296.A O no hydrogen 3.093 N/A ARG 129.A NH2 ASP 296.A OD1 no hydrogen 3.220 N/A GLY 130.A N GLN 126.A O no hydrogen 3.041 N/A LEU 131.A N ILE 127.A O no hydrogen 2.825 N/A LYS 132.A N LEU 128.A O no hydrogen 2.742 N/A LYS 132.A NZ GLU 297.A O no hydrogen 2.874 N/A TYR 133.A N ARG 129.A O no hydrogen 3.414 N/A TYR 133.A OH HIS 70.A O no hydrogen 3.218 N/A ILE 134.A N GLY 130.A O no hydrogen 2.939 N/A HIS 135.A N LEU 131.A O no hydrogen 2.752 N/A HIS 135.A NE2 ASP 185.A OD1 no hydrogen 2.745 N/A SER 136.A N LYS 132.A O no hydrogen 3.091 N/A SER 136.A OG LYS 132.A O no hydrogen 3.506 N/A SER 136.A OG TYR 133.A O no hydrogen 2.624 N/A ALA 137.A N TYR 133.A O no hydrogen 3.304 N/A ALA 137.A N ILE 134.A O no hydrogen 3.120 N/A ASP 138.A N HIS 135.A O no hydrogen 2.823 N/A ILE 139.A N ILE 134.A O no hydrogen 3.465 N/A HIS 141.A N ASP 185.A OD1 no hydrogen 2.857 N/A ARG 142.A N ASP 185.A OD2 no hydrogen 2.879 N/A LYS 145.A NZ ASP 143.A OD1 no hydrogen 3.186 N/A LYS 145.A NZ THR 165.A OG1 no hydrogen 2.513 N/A ASN 148.A N LYS 145.A O no hydrogen 2.804 N/A LEU 149.A N PRO 146.A O no hydrogen 3.150 N/A ALA 150.A N LYS 158.A O no hydrogen 2.824 N/A VAL 151.A N ALA 104.A O no hydrogen 2.911 N/A ASN 152.A N GLU 156.A O no hydrogen 2.901 N/A ASN 152.A ND2 GLU 156.A OE2 no hydrogen 2.810 N/A ASP 154.A N ASN 152.A OD1 no hydrogen 2.884 N/A CYS 155.A N ASN 152.A O no hydrogen 2.687 N/A GLU 156.A N ASN 152.A OD1 no hydrogen 2.887 N/A LEU 157.A N GLN 126.A OE1 no hydrogen 2.876 N/A LYS 158.A N ALA 150.A O no hydrogen 2.841 N/A LYS 158.A NZ GLU 74.A O no hydrogen 2.917 N/A ILE 159.A N ASN 75.A O no hydrogen 2.911 N/A LEU 160.A N ASN 148.A O no hydrogen 3.007 N/A GLY 163.A N ASP 161.A OD1 no hydrogen 2.886 N/A THR 165.A OG1 ASP 143.A OD1 no hydrogen 3.304 N/A THR 165.A OG1 ASP 143.A OD2 no hydrogen 2.865 N/A ARG 166.A NE GLY 205.A O no hydrogen 3.041 N/A ARG 166.A NH2 GLY 205.A O no hydrogen 3.326 N/A TRP 167.A N ALA 164.A O no hydrogen 2.907 N/A TRP 167.A NE1 GLY 205.A O no hydrogen 2.724 N/A TYR 168.A N THR 165.A O no hydrogen 3.255 N/A TYR 168.A OH GLU 195.A OE1 no hydrogen 2.556 N/A TYR 168.A OH GLU 195.A OE2 no hydrogen 3.269 N/A ARG 169.A N ARG 166.A O no hydrogen 3.312 N/A GLU 172.A N GLU 172.A OE2 no hydrogen 2.793 N/A ILE 173.A N ALA 170.A O no hydrogen 2.978 N/A MET 174.A N ALA 170.A O no hydrogen 3.429 N/A LEU 175.A N PRO 171.A O no hydrogen 3.026 N/A ASN 176.A N ILE 173.A O no hydrogen 3.214 N/A TRP 177.A N GLU 172.A O no hydrogen 2.997 N/A GLN 182.A NE2 HIS 135.A O no hydrogen 2.771 N/A THR 183.A OG1 SER 273.A O no hydrogen 3.050 N/A VAL 184.A N ASN 181.A O no hydrogen 3.128 N/A ASP 185.A N GLN 182.A O no hydrogen 2.994 N/A TRP 187.A N THR 183.A O no hydrogen 3.038 N/A SER 188.A N VAL 184.A O no hydrogen 3.307 N/A SER 188.A OG TYR 168.A O no hydrogen 2.660 N/A SER 188.A OG VAL 184.A O no hydrogen 3.383 N/A VAL 189.A N ASP 185.A O no hydrogen 3.049 N/A GLY 190.A N ILE 186.A O no hydrogen 3.007 N/A CYS 191.A N TRP 187.A O no hydrogen 3.104 N/A CYS 191.A SG TRP 167.A O no hydrogen 4.016 N/A CYS 191.A SG TRP 187.A O no hydrogen 3.510 N/A ILE 192.A N SER 188.A O no hydrogen 3.033 N/A MET 193.A N VAL 189.A O no hydrogen 2.803 N/A ALA 194.A N GLY 190.A O no hydrogen 2.883 N/A GLU 195.A N CYS 191.A O no hydrogen 3.142 N/A LEU 196.A N ILE 192.A O no hydrogen 2.890 N/A LEU 197.A N MET 193.A O no hydrogen 2.998 N/A THR 198.A N ALA 194.A O no hydrogen 2.996 N/A THR 198.A OG1 ALA 194.A O no hydrogen 3.311 N/A GLY 199.A N GLU 195.A O no hydrogen 2.825 N/A ARG 200.A N THR 198.A OG1 no hydrogen 2.790 N/A GLY 205.A N PHE 203.A O no hydrogen 2.844 N/A GLY 205.A N GLN 211.A OE1 no hydrogen 3.118 N/A THR 206.A N ASP 210.A OD1 no hydrogen 2.808 N/A ASP 210.A N ASP 207.A OD1 no hydrogen 2.973 N/A GLN 211.A N ASP 207.A O no hydrogen 2.844 N/A GLN 211.A NE2 TRP 167.A O no hydrogen 3.302 N/A GLN 211.A NE2 PHE 203.A O no hydrogen 3.095 N/A LEU 212.A N HIS 208.A O no hydrogen 3.344 N/A LYS 213.A N ILE 209.A O no hydrogen 2.951 N/A LEU 214.A N ASP 210.A O no hydrogen 2.936 N/A ILE 215.A N GLN 211.A O no hydrogen 3.199 N/A LEU 216.A N LEU 212.A O no hydrogen 2.931 N/A ARG 217.A N LYS 213.A O no hydrogen 3.092 N/A LEU 218.A N LEU 214.A O no hydrogen 3.452 N/A VAL 219.A N ILE 215.A O no hydrogen 3.097 N/A GLY 220.A N LEU 216.A O no hydrogen 2.708 N/A THR 221.A N MET 245.A O no hydrogen 2.972 N/A THR 221.A OG1 MET 245.A O no hydrogen 3.322 N/A LEU 227.A N GLY 223.A O no hydrogen 3.057 N/A LYS 228.A N ALA 224.A O no hydrogen 3.101 N/A LYS 229.A N LEU 226.A O no hydrogen 2.976 N/A LYS 229.A NZ ASP 272.A OD1 no hydrogen 3.064 N/A LYS 229.A NZ ASP 272.A OD2 no hydrogen 2.632 N/A LYS 229.A NZ ASP 274.A OD1 no hydrogen 2.653 N/A ILE 230.A N LEU 227.A O no hydrogen 3.375 N/A ALA 235.A N SER 232.A OG no hydrogen 3.066 N/A ARG 236.A N SER 232.A O no hydrogen 3.176 N/A ARG 236.A NE ILE 230.A O no hydrogen 3.113 N/A ARG 236.A NH2 ILE 230.A O no hydrogen 2.753 N/A ASN 237.A N GLU 233.A O no hydrogen 3.405 N/A ASN 237.A ND2 SER 234.A O no hydrogen 3.051 N/A TYR 238.A N SER 234.A O no hydrogen 3.062 N/A ILE 239.A N ALA 235.A O no hydrogen 2.961 N/A GLN 240.A N ARG 236.A O no hydrogen 3.082 N/A LEU 242.A N ILE 239.A O no hydrogen 2.898 N/A MET 245.A N ALA 243.A O no hydrogen 2.746 N/A LYS 247.A NZ MET 248.A O no hydrogen 2.765 N/A LYS 247.A NZ GLU 266.A OE2 no hydrogen 3.475 N/A MET 248.A N LEU 218.A O no hydrogen 2.670 N/A ASN 249.A ND2 ASN 252.A OD1 no hydrogen 2.945 N/A ASN 252.A N ASN 249.A O no hydrogen 2.994 N/A VAL 253.A N ASN 249.A O no hydrogen 3.211 N/A PHE 254.A N PHE 250.A O no hydrogen 2.779 N/A ALA 257.A N PHE 254.A O no hydrogen 3.038 N/A ASN 258.A ND2 ASP 117.A OD2 no hydrogen 3.021 N/A LEU 260.A N ASN 258.A OD1 no hydrogen 2.835 N/A VAL 262.A N ASN 258.A O no hydrogen 3.117 N/A ASP 263.A N PRO 259.A O no hydrogen 3.124 N/A LEU 264.A N LEU 260.A O no hydrogen 3.020 N/A LEU 265.A N ALA 261.A O no hydrogen 2.976 N/A GLU 266.A N VAL 262.A O no hydrogen 2.790 N/A LYS 267.A N ASP 263.A O no hydrogen 3.149 N/A LYS 267.A N LEU 264.A O no hydrogen 2.896 N/A LYS 267.A NZ ASP 263.A OD1 no hydrogen 3.030 N/A LYS 267.A NZ ASP 263.A OD2 no hydrogen 3.301 N/A MET 268.A N LEU 264.A O no hydrogen 2.967 N/A MET 268.A N LEU 265.A O no hydrogen 3.099 N/A LEU 269.A N LEU 265.A O no hydrogen 2.993 N/A SER 273.A OG ASN 181.A OD1 no hydrogen 2.951 N/A ASP 274.A N ASP 272.A OD1 no hydrogen 3.130 N/A LYS 275.A N ASP 272.A O no hydrogen 2.807 N/A ARG 276.A N SER 273.A O no hydrogen 3.427 N/A ARG 276.A NH1 GLU 172.A OE2 no hydrogen 3.329 N/A ARG 276.A NH1 VAL 270.A O no hydrogen 2.991 N/A ARG 276.A NH1 LEU 271.A O no hydrogen 3.059 N/A ARG 276.A NH2 GLU 172.A OE1 no hydrogen 2.868 N/A ARG 276.A NH2 THR 183.A O no hydrogen 3.026 N/A ILE 277.A N LYS 267.A O no hydrogen 3.012 N/A THR 278.A N GLN 281.A OE1 no hydrogen 2.989 N/A GLN 281.A N THR 278.A OG1 no hydrogen 3.111 N/A ALA 282.A N THR 278.A O no hydrogen 2.857 N/A LEU 283.A N ALA 279.A O no hydrogen 3.037 N/A ALA 284.A N GLN 281.A O no hydrogen 3.050 N/A HIS 285.A N ALA 282.A O no hydrogen 2.830 N/A HIS 285.A NE2 ASP 263.A OD2 no hydrogen 2.530 N/A TYR 287.A N HIS 285.A ND1 no hydrogen 3.158 N/A TYR 287.A OH ASP 117.A OD1 no hydrogen 2.735 N/A PHE 288.A N HIS 285.A O no hydrogen 2.935 N/A ALA 289.A N ALA 286.A O no hydrogen 3.038 N/A TYR 291.A N PHE 288.A O no hydrogen 2.689 N/A TYR 291.A OH ASP 118.A OD2 no hydrogen 2.688 N/A HIS 292.A N PHE 288.A O no hydrogen 2.825 N/A HIS 292.A ND1 GLU 297.A OE1 no hydrogen 2.783 N/A ASP 293.A N GLU 297.A OE1 no hydrogen 3.138 N/A ASP 295.A N ASP 293.A OD1 no hydrogen 2.937 N/A ASP 296.A N ASP 293.A O no hydrogen 2.857 N/A ALA 300.A N SER 136.A OG no hydrogen 2.879 N/A GLN 305.A NE2 ASP 138.A O no hydrogen 2.944 N/A SER 306.A N ASP 304.A OD2 no hydrogen 2.816 N/A SER 306.A OG ASP 304.A OD2 no hydrogen 2.672 N/A GLU 308.A N GLN 305.A O no hydrogen 2.894 N/A SER 309.A N SER 306.A O no hydrogen 3.211 N/A SER 309.A OG SER 306.A O no hydrogen 3.275 N/A ARG 310.A N PHE 307.A O no hydrogen 2.984 N/A ARG 310.A NH2 SER 306.A OG no hydrogen 2.958 N/A LEU 313.A N GLU 316.A OE1 no hydrogen 2.803 N/A GLU 316.A N LEU 313.A O no hydrogen 3.084 N/A TRP 317.A N LEU 313.A O no hydrogen 3.142 N/A LYS 318.A N ILE 314.A O no hydrogen 2.850 N/A LYS 318.A NZ PHE 92.A O no hydrogen 3.104 N/A SER 319.A N ASP 315.A O no hydrogen 2.820 N/A LEU 320.A N GLU 316.A O no hydrogen 2.901 N/A THR 321.A N TRP 317.A O no hydrogen 2.756 N/A THR 321.A OG1 TRP 317.A O no hydrogen 3.054 N/A TYR 322.A N LYS 318.A O no hydrogen 2.922 N/A ASP 323.A N SER 319.A O no hydrogen 2.933 N/A GLU 324.A N LEU 320.A O no hydrogen 3.249 N/A VAL 325.A N THR 321.A O no hydrogen 3.095 N/A ILE 326.A N TYR 322.A O no hydrogen 3.186 N/A SER 327.A N ASP 323.A O no hydrogen 3.038 N/A SER 327.A OG ASP 323.A O no hydrogen 3.130 N/A SER 327.A OG GLU 324.A O no hydrogen 3.399 N/A PHE 328.A N VAL 325.A O no hydrogen 3.374 N/A