Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2x86_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 68.A O no hydrogen 3.325 N/A ILE 2.A N ASP 26.A O no hydrogen 3.033 N/A ILE 3.A N ALA 71.A O no hydrogen 3.040 N/A VAL 4.A N LEU 28.A O no hydrogen 2.917 N/A THR 5.A N PHE 73.A O no hydrogen 2.907 N/A THR 5.A OG1 HIS 74.A ND1 no hydrogen 2.651 N/A GLY 6.A N VAL 30.A O no hydrogen 2.742 N/A ALA 8.A N ASP 31.A OD2 no hydrogen 2.777 N/A GLY 9.A N GLY 6.A O no hydrogen 2.748 N/A SER 13.A N GLY 9.A O no hydrogen 3.048 N/A SER 13.A OG GLY 9.A O no hydrogen 2.660 N/A SER 13.A OG PHE 10.A O no hydrogen 3.046 N/A ASN 14.A N PHE 10.A O no hydrogen 3.377 N/A ASN 14.A ND2 PHE 10.A O no hydrogen 2.810 N/A ASN 14.A ND2 PRO 173.A O no hydrogen 2.902 N/A ILE 15.A N ILE 11.A O no hydrogen 2.952 N/A VAL 16.A N GLY 12.A O no hydrogen 2.946 N/A LYS 17.A N SER 13.A O no hydrogen 2.911 N/A LYS 17.A NZ ASP 21.A OD1 no hydrogen 3.287 N/A LYS 17.A NZ ASP 21.A OD2 no hydrogen 3.156 N/A ALA 18.A N ASN 14.A O no hydrogen 3.001 N/A LEU 19.A N ILE 15.A O no hydrogen 2.895 N/A ASN 20.A N VAL 16.A O no hydrogen 2.823 N/A ASN 20.A ND2 ILE 24.A O no hydrogen 2.937 N/A ASN 20.A ND2 ASN 46.A O no hydrogen 3.008 N/A ASP 21.A N LYS 17.A O no hydrogen 2.848 N/A LYS 22.A N ALA 18.A O no hydrogen 3.144 N/A LYS 22.A N LEU 19.A O no hydrogen 3.019 N/A GLY 23.A N ASN 20.A O no hydrogen 2.713 N/A ILE 24.A N LEU 19.A O no hydrogen 2.909 N/A ILE 27.A N THR 25.A O no hydrogen 2.846 N/A LEU 28.A N ILE 2.A O no hydrogen 2.860 N/A VAL 29.A N ASP 49.A O no hydrogen 3.037 N/A VAL 30.A N VAL 4.A O no hydrogen 3.108 N/A ASP 31.A N MET 51.A O no hydrogen 3.131 N/A ASN 32.A N ASP 31.A OD1 no hydrogen 2.611 N/A LYS 34.A N ASN 32.A OD1 no hydrogen 3.075 N/A THR 37.A N ASP 35.A OD1 no hydrogen 3.179 N/A THR 37.A OG1 ASP 35.A OD1 no hydrogen 2.699 N/A THR 37.A OG1 ASP 35.A OD2 no hydrogen 3.163 N/A LYS 38.A N ASP 35.A O no hydrogen 3.226 N/A PHE 39.A N GLY 36.A O no hydrogen 2.969 N/A VAL 40.A N THR 37.A O no hydrogen 3.354 N/A ASN 41.A N LYS 38.A O no hydrogen 3.009 N/A ASN 41.A ND2 ALA 8.A O no hydrogen 2.897 N/A ASN 41.A ND2 HIS 177.A ND1 no hydrogen 3.080 N/A LEU 42.A N PHE 39.A O no hydrogen 2.770 N/A VAL 43.A N PHE 39.A O no hydrogen 3.018 N/A VAL 43.A N VAL 40.A O no hydrogen 3.244 N/A LEU 45.A N LEU 42.A O no hydrogen 2.747 N/A ASN 46.A N ASN 20.A OD1 no hydrogen 2.798 N/A ALA 48.A N ILE 27.A O no hydrogen 2.671 N/A ASP 49.A N ILE 27.A O no hydrogen 3.259 N/A MET 51.A N VAL 29.A O no hydrogen 2.907 N/A LYS 53.A N ASP 31.A O no hydrogen 2.736 N/A LYS 53.A NZ ASN 92.A OD1 no hydrogen 2.749 N/A GLU 54.A N ASP 52.A OD2 no hydrogen 2.940 N/A PHE 56.A N ASP 52.A O no hydrogen 2.981 N/A LEU 57.A N LYS 53.A O no hydrogen 3.022 N/A ILE 58.A N GLU 54.A O no hydrogen 3.145 N/A GLN 59.A N ASP 55.A O no hydrogen 3.006 N/A ILE 60.A N PHE 56.A O no hydrogen 2.815 N/A MET 61.A N LEU 57.A O no hydrogen 2.902 N/A ALA 62.A N ILE 58.A O no hydrogen 3.006 N/A GLY 63.A N ILE 60.A O no hydrogen 2.988 N/A GLU 64.A N GLN 59.A O no hydrogen 2.989 N/A GLU 70.A N MET 1.A O no hydrogen 2.710 N/A ILE 72.A N PRO 110.A O no hydrogen 2.965 N/A PHE 73.A N ILE 3.A O no hydrogen 2.775 N/A HIS 74.A N LEU 112.A O no hydrogen 2.724 N/A HIS 74.A ND1 THR 5.A OG1 no hydrogen 2.651 N/A HIS 74.A NE2 SER 97.A OG no hydrogen 2.842 N/A GLU 75.A N THR 5.A O no hydrogen 3.107 N/A GLY 76.A N THR 5.A OG1 no hydrogen 2.939 N/A CYS 78.A N ASN 93.A OD1 no hydrogen 2.775 N/A THR 82.A N SER 80.A OG no hydrogen 3.199 N/A THR 82.A OG1 SER 80.A OG no hydrogen 3.194 N/A GLU 83.A N SER 80.A O no hydrogen 3.507 N/A ASP 85.A N GLU 83.A OE1 no hydrogen 2.886 N/A TYR 88.A N ASP 85.A OD1 no hydrogen 2.746 N/A MET 89.A N ASP 85.A O no hydrogen 2.903 N/A MET 90.A N GLY 86.A O no hydrogen 2.773 N/A ASP 91.A N LYS 87.A O no hydrogen 3.030 N/A ASN 92.A N TYR 88.A O no hydrogen 2.812 N/A ASN 92.A ND2 ASN 93.A OD1 no hydrogen 3.139 N/A ASN 93.A N MET 89.A O no hydrogen 2.854 N/A ASN 93.A ND2 CYS 78.A O no hydrogen 3.190 N/A ASN 93.A ND2 SER 143.A OG no hydrogen 3.174 N/A GLN 95.A N MET 90.A O no hydrogen 2.770 N/A GLN 95.A NE2 GLU 99.A OE2 no hydrogen 3.160 N/A TYR 96.A N ASP 91.A O no hydrogen 2.906 N/A TYR 96.A OH LYS 53.A O no hydrogen 2.655 N/A SER 97.A N ASN 93.A O no hydrogen 3.074 N/A SER 97.A OG HIS 74.A NE2 no hydrogen 2.842 N/A SER 97.A OG ASN 93.A O no hydrogen 2.806 N/A LYS 98.A N TYR 94.A O no hydrogen 2.949 N/A GLU 99.A N GLN 95.A O no hydrogen 2.968 N/A LEU 100.A N TYR 96.A O no hydrogen 3.043 N/A LEU 101.A N SER 97.A O no hydrogen 2.878 N/A HIS 102.A N LYS 98.A O no hydrogen 2.965 N/A HIS 102.A NE2 TYR 150.A OH no hydrogen 2.580 N/A TYR 103.A N GLU 99.A O no hydrogen 3.160 N/A TYR 103.A OH GLU 64.A O no hydrogen 2.588 N/A CYS 104.A N LEU 100.A O no hydrogen 2.902 N/A CYS 104.A SG LEU 100.A O no hydrogen 3.571 N/A LEU 105.A N LEU 101.A O no hydrogen 2.844 N/A GLU 106.A N HIS 102.A O no hydrogen 2.990 N/A ARG 107.A N CYS 104.A O no hydrogen 3.017 N/A ARG 107.A NE GLU 65.A OE1 no hydrogen 3.303 N/A ARG 107.A NE GLU 65.A OE2 no hydrogen 3.277 N/A ARG 107.A NH1 TYR 103.A O no hydrogen 3.104 N/A ARG 107.A NH2 GLY 63.A O no hydrogen 3.527 N/A ARG 107.A NH2 GLU 65.A OE1 no hydrogen 3.464 N/A GLU 108.A N LEU 105.A O no hydrogen 3.278 N/A ILE 109.A N CYS 104.A O no hydrogen 2.854 N/A PHE 111.A N GLN 161.A O no hydrogen 2.991 N/A LEU 112.A N ILE 72.A O no hydrogen 2.924 N/A TYR 113.A N VAL 163.A O no hydrogen 2.726 N/A TYR 113.A OH ASP 148.A OD1 no hydrogen 2.656 N/A ALA 114.A N HIS 74.A O no hydrogen 3.160 N/A SER 115.A N PHE 165.A O no hydrogen 2.803 N/A SER 115.A OG ASP 148.A OD1 no hydrogen 3.523 N/A SER 115.A OG ASP 148.A OD2 no hydrogen 2.605 N/A SER 116.A N SER 115.A OG no hydrogen 2.590 N/A ALA 117.A N TYR 167.A O no hydrogen 2.959 N/A ALA 118.A N SER 116.A OG no hydrogen 2.857 N/A THR 119.A N SER 116.A O no hydrogen 3.037 N/A THR 119.A OG1 SER 116.A O no hydrogen 2.708 N/A TYR 120.A N ALA 117.A O no hydrogen 2.995 N/A TYR 120.A OH ASN 234.A OD1 no hydrogen 2.634 N/A ARG 123.A NH1 SER 125.A O no hydrogen 2.583 N/A GLU 129.A N GLU 129.A OE1 no hydrogen 2.695 N/A SER 130.A N ILE 128.A O no hydrogen 2.721 N/A ARG 131.A NH1 ARG 131.A O no hydrogen 3.113 N/A ARG 131.A NH1 GLU 134.A O no hydrogen 3.078 N/A TYR 133.A N SER 130.A O no hydrogen 3.010 N/A GLU 134.A N ARG 131.A O no hydrogen 3.030 N/A LYS 135.A N THR 119.A O no hydrogen 2.812 N/A GLY 141.A N ASN 138.A OD1 no hydrogen 2.727 N/A TYR 142.A N ASN 138.A O no hydrogen 2.927 N/A SER 143.A N VAL 139.A O no hydrogen 2.911 N/A SER 143.A OG PHE 140.A O no hydrogen 2.573 N/A LYS 144.A N PHE 140.A O no hydrogen 3.246 N/A LYS 144.A N GLY 141.A O no hydrogen 3.164 N/A LYS 144.A NZ ALA 114.A O no hydrogen 2.990 N/A PHE 145.A N GLY 141.A O no hydrogen 2.842 N/A LEU 146.A N TYR 142.A O no hydrogen 2.864 N/A ASP 148.A N LYS 144.A O no hydrogen 3.027 N/A GLU 149.A N PHE 145.A O no hydrogen 2.976 N/A TYR 150.A N LEU 146.A O no hydrogen 2.930 N/A TYR 150.A OH HIS 102.A NE2 no hydrogen 2.580 N/A VAL 151.A N PHE 147.A O no hydrogen 2.786 N/A ARG 152.A N ASP 148.A O no hydrogen 2.845 N/A ARG 152.A NE GLU 149.A OE2 no hydrogen 2.919 N/A ARG 152.A NH1 GLU 134.A OE2 no hydrogen 3.449 N/A ARG 152.A NH2 GLU 134.A OE2 no hydrogen 2.821 N/A ARG 152.A NH2 GLU 149.A OE2 no hydrogen 3.313 N/A GLN 153.A N GLU 149.A O no hydrogen 3.230 N/A GLN 153.A NE2 GLU 149.A O no hydrogen 3.256 N/A ILE 154.A N TYR 150.A O no hydrogen 3.233 N/A ILE 154.A N VAL 151.A O no hydrogen 2.912 N/A LEU 155.A N VAL 151.A O no hydrogen 2.845 N/A GLU 157.A N ILE 154.A O no hydrogen 2.992 N/A ALA 158.A N ILE 154.A O no hydrogen 3.179 N/A ALA 158.A N LEU 155.A O no hydrogen 3.169 N/A GLN 161.A NE2 PHE 224.A O no hydrogen 2.910 N/A GLN 161.A NE2 VAL 229.A O no hydrogen 2.774 N/A ILE 162.A N SER 230.A OG no hydrogen 3.000 N/A VAL 163.A N PHE 111.A O no hydrogen 2.921 N/A GLY 164.A N GLY 231.A O no hydrogen 2.912 N/A PHE 165.A N TYR 113.A O no hydrogen 2.919 N/A ARG 166.A N PHE 233.A O no hydrogen 2.709 N/A ARG 166.A NE SER 115.A OG no hydrogen 3.346 N/A ARG 166.A NH1 TYR 120.A OH no hydrogen 3.142 N/A ARG 166.A NH1 GLU 134.A OE2 no hydrogen 2.773 N/A ARG 166.A NH2 GLU 134.A OE2 no hydrogen 2.780 N/A ARG 166.A NH2 ASP 148.A OD2 no hydrogen 2.824 N/A TYR 167.A N PHE 165.A O no hydrogen 3.062 N/A TYR 167.A OH GLU 75.A OE1 no hydrogen 2.750 N/A PHE 168.A N LEU 235.A O no hydrogen 3.092 N/A ASN 169.A N ASP 210.A O no hydrogen 3.036 N/A TYR 171.A N VAL 212.A O no hydrogen 3.160 N/A ARG 174.A NH1 ASN 41.A O no hydrogen 2.795 N/A ARG 174.A NH1 ASP 44.A OD1 no hydrogen 2.969 N/A ARG 174.A NH2 ASP 44.A OD1 no hydrogen 3.495 N/A ARG 174.A NH2 ASP 44.A OD2 no hydrogen 3.056 N/A LYS 178.A N GLU 175.A O no hydrogen 2.881 N/A LYS 178.A NZ MET 181.A O no hydrogen 3.538 N/A MET 181.A N LYS 178.A O no hydrogen 2.823 N/A ALA 182.A N GLY 179.A O no hydrogen 3.073 N/A SER 183.A N GLU 175.A OE2 no hydrogen 2.900 N/A SER 183.A OG GLU 175.A OE1 no hydrogen 2.678 N/A PHE 186.A N SER 183.A OG no hydrogen 3.027 N/A HIS 187.A N SER 183.A O no hydrogen 3.126 N/A HIS 187.A NE2 GLY 179.A O no hydrogen 2.879 N/A LEU 188.A N VAL 184.A O no hydrogen 2.858 N/A ASN 189.A N ALA 185.A O no hydrogen 2.960 N/A THR 190.A N PHE 186.A O no hydrogen 3.052 N/A THR 190.A OG1 HIS 187.A O no hydrogen 3.366 N/A GLN 191.A N HIS 187.A O no hydrogen 2.896 N/A LEU 192.A N LEU 188.A O no hydrogen 2.950 N/A ASN 193.A N ASN 189.A O no hydrogen 3.019 N/A ASN 193.A ND2 ASN 307.A OD1 no hydrogen 3.428 N/A ASN 194.A N THR 190.A O no hydrogen 3.091 N/A ASN 194.A N GLN 191.A O no hydrogen 3.319 N/A GLY 195.A N LEU 192.A O no hydrogen 3.219 N/A GLU 196.A N GLN 191.A O no hydrogen 2.948 N/A SER 197.A OG GLU 260.A OE2 no hydrogen 3.144 N/A LYS 199.A N GLN 191.A OE1 no hydrogen 2.966 N/A LYS 199.A NZ SER 197.A O no hydrogen 2.680 N/A LYS 199.A NZ SER 197.A OG no hydrogen 2.882 N/A LEU 200.A N GLU 260.A O no hydrogen 2.930 N/A GLU 202.A N ILE 262.A O no hydrogen 2.914 N/A SER 204.A N PHE 201.A O no hydrogen 3.287 N/A SER 204.A OG PHE 201.A O no hydrogen 2.597 N/A GLU 205.A N GLU 205.A OE2 no hydrogen 2.934 N/A ASN 206.A N GLY 203.A O no hydrogen 3.088 N/A PHE 207.A N SER 204.A O no hydrogen 3.267 N/A LYS 208.A N ALA 274.A O no hydrogen 3.041 N/A ARG 209.A N GLU 241.A O no hydrogen 2.900 N/A ARG 209.A NE GLN 273.A O no hydrogen 3.115 N/A ARG 209.A NH1 ASN 169.A OD1 no hydrogen 3.049 N/A ARG 209.A NH2 GLN 273.A O no hydrogen 3.037 N/A ASP 210.A N THR 276.A OG1 no hydrogen 3.102 N/A VAL 212.A N ASN 169.A O no hydrogen 2.886 N/A TYR 213.A OH GLU 301.A OE1 no hydrogen 3.350 N/A VAL 214.A N TYR 171.A O no hydrogen 2.860 N/A ASP 216.A N TYR 213.A O no hydrogen 2.895 N/A VAL 217.A N TYR 213.A O no hydrogen 3.243 N/A ALA 218.A N VAL 214.A O no hydrogen 2.915 N/A ASP 219.A N GLY 215.A O no hydrogen 3.063 N/A VAL 220.A N ASP 216.A O no hydrogen 2.891 N/A ASN 221.A N VAL 217.A O no hydrogen 3.046 N/A ASN 221.A ND2 TYR 167.A OH no hydrogen 3.104 N/A ASN 221.A ND2 VAL 217.A O no hydrogen 3.021 N/A LEU 222.A N ALA 218.A O no hydrogen 3.034 N/A TRP 223.A N ASP 219.A O no hydrogen 2.879 N/A PHE 224.A N VAL 220.A O no hydrogen 3.012 N/A LEU 225.A N ASN 221.A O no hydrogen 3.124 N/A GLU 226.A N LEU 222.A O no hydrogen 2.979 N/A ASN 227.A N TRP 223.A O no hydrogen 2.935 N/A ASN 227.A N PHE 224.A O no hydrogen 3.233 N/A ASN 227.A ND2 TRP 223.A O no hydrogen 2.661 N/A GLY 228.A N PHE 224.A O no hydrogen 2.903 N/A SER 230.A OG ILE 162.A O no hydrogen 3.388 N/A GLY 231.A N ILE 162.A O no hydrogen 2.893 N/A PHE 233.A N GLY 164.A O no hydrogen 2.863 N/A ASN 234.A N GLU 129.A OE2 no hydrogen 2.708 N/A ASN 234.A ND2 PHE 127.A O no hydrogen 2.705 N/A ASN 234.A ND2 ASP 279.A O no hydrogen 2.815 N/A LEU 235.A N ARG 166.A O no hydrogen 2.877 N/A THR 237.A N ASP 210.A OD1 no hydrogen 2.740 N/A THR 237.A OG1 ASP 210.A OD1 no hydrogen 2.686 N/A GLY 238.A N ASP 210.A OD2 no hydrogen 2.864 N/A ARG 239.A N THR 237.A OG1 no hydrogen 2.891 N/A ARG 239.A NH2 PHE 292.A O no hydrogen 3.374 N/A GLU 241.A N ARG 209.A O no hydrogen 2.851 N/A PHE 243.A N PHE 207.A O no hydrogen 3.384 N/A ALA 245.A N SER 242.A O no hydrogen 2.932 N/A ALA 245.A N SER 242.A OG no hydrogen 3.105 N/A VAL 246.A N SER 242.A O no hydrogen 3.483 N/A ALA 247.A N PHE 243.A O no hydrogen 2.960 N/A ASP 248.A N GLN 244.A O no hydrogen 2.856 N/A ALA 249.A N ALA 245.A O no hydrogen 3.041 N/A THR 250.A N VAL 246.A O no hydrogen 3.083 N/A THR 250.A OG1 VAL 246.A O no hydrogen 3.006 N/A LEU 251.A N ALA 247.A O no hydrogen 2.779 N/A ALA 252.A N ASP 248.A O no hydrogen 2.953 N/A TYR 253.A N ALA 249.A O no hydrogen 3.228 N/A HIS 254.A N THR 250.A O no hydrogen 3.074 N/A HIS 254.A NE2 ASN 189.A OD1 no hydrogen 2.825 N/A LYS 256.A NZ LEU 192.A O no hydrogen 2.817 N/A GLU 260.A N PRO 198.A O no hydrogen 2.913 N/A ILE 262.A N LEU 200.A O no hydrogen 3.005 N/A LEU 268.A N PRO 265.A O no hydrogen 3.067 N/A LYS 269.A N ASP 266.A O no hydrogen 3.015 N/A LYS 269.A NZ PHE 264.A O no hydrogen 3.277 N/A LYS 269.A NZ ASP 266.A OD1 no hydrogen 2.970 N/A ARG 271.A N LEU 268.A O no hydrogen 2.773 N/A GLN 273.A NE2 ALA 117.A O no hydrogen 2.918 N/A THR 276.A N LYS 208.A O no hydrogen 3.131 N/A ALA 278.A N ASP 210.A OD2 no hydrogen 2.958 N/A THR 281.A N ASP 279.A OD1 no hydrogen 2.831 N/A THR 281.A OG1 ASP 279.A OD1 no hydrogen 2.622 N/A ASN 282.A ND2 GLU 129.A OE1 no hydrogen 2.590 N/A ARG 284.A N LEU 280.A O no hydrogen 2.858 N/A ARG 284.A NH1 TYR 288.A O no hydrogen 3.081 N/A ARG 284.A NH1 LYS 290.A O no hydrogen 2.745 N/A ARG 284.A NH2 LYS 290.A O no hydrogen 3.329 N/A ALA 285.A N THR 281.A O no hydrogen 2.874 N/A ALA 286.A N ASN 282.A O no hydrogen 2.843 N/A GLY 287.A N ARG 284.A O no hydrogen 2.806 N/A LYS 293.A N ASP 216.A OD2 no hydrogen 2.806 N/A LYS 293.A NZ GLU 301.A OE2 no hydrogen 2.869 N/A THR 294.A N GLU 297.A OE2 no hydrogen 2.720 N/A THR 294.A OG1 GLU 297.A OE2 no hydrogen 3.123 N/A VAL 295.A N GLU 241.A OE2 no hydrogen 3.074 N/A GLU 297.A N THR 294.A OG1 no hydrogen 3.206 N/A GLY 298.A N THR 294.A O no hydrogen 2.807 N/A VAL 299.A N VAL 295.A O no hydrogen 2.873 N/A THR 300.A N ALA 296.A O no hydrogen 3.350 N/A THR 300.A OG1 ALA 296.A O no hydrogen 2.462 N/A THR 300.A OG1 GLU 297.A O no hydrogen 3.296 N/A GLU 301.A N GLU 297.A O no hydrogen 3.031 N/A TYR 302.A N GLY 298.A O no hydrogen 2.923 N/A TYR 302.A OH GLU 175.A OE1 no hydrogen 2.602 N/A MET 303.A N VAL 299.A O no hydrogen 2.772 N/A ALA 304.A N THR 300.A O no hydrogen 3.024 N/A TRP 305.A N GLU 301.A O no hydrogen 3.139 N/A LEU 306.A N TYR 302.A O no hydrogen 2.852 N/A ASN 307.A N ALA 304.A O no hydrogen 3.116 N/A ASN 307.A ND2 ASN 189.A OD1 no hydrogen 3.371 N/A ASN 307.A ND2 MET 303.A O no hydrogen 2.581 N/A