Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ist_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N ALA 68.A O no hydrogen 2.607 N/A LEU 6.A N ILE 66.A O no hydrogen 3.033 N/A ALA 8.A N VAL 64.A O no hydrogen 3.144 N/A VAL 10.A N GLU 62.A O no hydrogen 3.009 N/A SER 11.A N GLN 14.A OE1 no hydrogen 2.877 N/A SER 11.A OG ASN 13.A OD1 no hydrogen 3.320 N/A GLN 14.A N SER 11.A O no hydrogen 2.823 N/A GLN 14.A NE2 ALA 22.A O no hydrogen 3.129 N/A LEU 15.A N GLU 12.A O no hydrogen 3.259 N/A GLY 16.A N VAL 58.A O no hydrogen 2.892 N/A GLN 17.A N GLN 14.A O no hydrogen 2.992 N/A ARG 18.A N GLN 21.A OE1 no hydrogen 3.049 N/A ARG 18.A NE ASP 20.A OD1 no hydrogen 2.863 N/A ARG 18.A NH2 ASP 20.A OD1 no hydrogen 3.513 N/A ARG 18.A NH2 ASP 20.A OD2 no hydrogen 2.586 N/A LEU 19.A N GLU 56.A O no hydrogen 2.619 N/A ASP 20.A N PRO 54.A O no hydrogen 3.042 N/A GLN 21.A N ASP 20.A OD1 no hydrogen 2.647 N/A ALA 22.A N ARG 18.A O no hydrogen 2.712 N/A LEU 23.A N LEU 19.A O no hydrogen 2.982 N/A ALA 24.A N ASP 20.A O no hydrogen 2.951 N/A GLU 25.A N GLN 21.A O no hydrogen 3.181 N/A MET 26.A N ALA 22.A O no hydrogen 3.045 N/A PHE 27.A N LEU 23.A O no hydrogen 2.922 N/A TYR 30.A N PHE 27.A O no hydrogen 3.404 N/A ARG 34.A NH1 GLU 71.A OE1 no hydrogen 2.782 N/A ARG 34.A NH1 GLU 71.A OE2 no hydrogen 3.438 N/A ARG 34.A NH2 GLU 71.A OE2 no hydrogen 3.415 N/A ILE 35.A N SER 31.A O no hydrogen 3.132 N/A LYS 36.A N ARG 32.A O no hydrogen 3.081 N/A GLU 37.A N SER 33.A O no hydrogen 2.888 N/A TRP 38.A N ARG 34.A O no hydrogen 3.063 N/A ILE 39.A N ILE 35.A O no hydrogen 3.031 N/A LEU 40.A N LYS 36.A O no hydrogen 3.031 N/A ASP 41.A N GLU 37.A O no hydrogen 3.046 N/A GLN 42.A N ILE 39.A O no hydrogen 3.181 N/A ARG 43.A N TRP 38.A O no hydrogen 2.898 N/A LEU 45.A N ALA 65.A O no hydrogen 2.768 N/A VAL 46.A N LYS 49.A O no hydrogen 2.766 N/A ASN 47.A N GLN 63.A O no hydrogen 2.746 N/A LYS 49.A N VAL 46.A O no hydrogen 3.222 N/A CYS 51.A N VAL 44.A O no hydrogen 3.012 N/A CYS 51.A SG GLU 56.A OE1 no hydrogen 3.463 N/A LYS 53.A NZ ASP 52.A OD1 no hydrogen 3.446 N/A GLU 56.A N LYS 53.A O no hydrogen 2.994 N/A VAL 58.A N GLN 17.A O no hydrogen 2.933 N/A LEU 59.A N GLU 62.A OE1 no hydrogen 3.212 N/A LEU 59.A N GLU 62.A OE2 no hydrogen 2.490 N/A GLY 61.A N VAL 10.A O no hydrogen 2.684 N/A GLU 62.A N GLU 62.A OE1 no hydrogen 2.920 N/A GLN 63.A N ASN 47.A OD1 no hydrogen 2.877 N/A VAL 64.A N ALA 8.A O no hydrogen 2.784 N/A ALA 65.A N LEU 45.A O no hydrogen 2.925 N/A ILE 66.A N LEU 6.A O no hydrogen 2.757 N/A ASN 67.A N ARG 43.A O no hydrogen 3.226 N/A ALA 68.A N VAL 4.A O no hydrogen 2.828 N/A ILE 70.A N GLN 2.A O no hydrogen 2.803 N/A GLN 76.A N ASN 113.A O no hydrogen 2.957 N/A VAL 83.A N ILE 91.A O no hydrogen 2.768 N/A TYR 84.A N ILE 91.A O no hydrogen 3.342 N/A TYR 84.A OH ASP 86.A OD2 no hydrogen 2.659 N/A ASP 86.A N ILE 89.A O no hydrogen 3.036 N/A ASP 88.A N ASP 86.A OD1 no hydrogen 2.810 N/A ILE 89.A N ASP 86.A OD1 no hydrogen 3.000 N/A ILE 90.A N VAL 144.A O no hydrogen 2.827 N/A ILE 91.A N TYR 84.A O no hydrogen 2.811 N/A ILE 92.A N MET 142.A O no hydrogen 3.111 N/A ASN 93.A N ASP 81.A O no hydrogen 2.813 N/A LYS 94.A N GLY 140.A O no hydrogen 2.762 N/A LYS 94.A NZ PRO 95.A O no hydrogen 2.877 N/A LYS 94.A NZ LEU 98.A O no hydrogen 2.773 N/A LYS 94.A NZ ASP 135.A O no hydrogen 3.081 N/A LYS 94.A NZ LYS 136.A O no hydrogen 2.786 N/A LYS 94.A NZ THR 138.A O no hydrogen 2.970 N/A ARG 96.A NH1 ASP 271.A OD1 no hydrogen 2.893 N/A ARG 96.A NH2 ASP 271.A OD1 no hydrogen 3.458 N/A ARG 96.A NH2 ASP 271.A OD2 no hydrogen 3.335 N/A ASP 97.A N ASP 137.A OD1 no hydrogen 2.947 N/A LEU 98.A N LYS 136.A O no hydrogen 3.231 N/A HIS 101.A ND1 PRO 102.A O no hydrogen 2.743 N/A GLY 103.A N ASN 106.A O no hydrogen 3.120 N/A ASN 106.A N GLY 103.A O no hydrogen 2.842 N/A GLY 109.A N GLN 76.A OE1 no hydrogen 2.665 N/A THR 110.A N ASN 113.A OD1 no hydrogen 2.934 N/A THR 110.A OG1 ASN 113.A OD1 no hydrogen 2.748 N/A VAL 111.A N VAL 99.A O no hydrogen 2.814 N/A LEU 112.A N VAL 100.A O no hydrogen 2.988 N/A ASN 113.A N THR 110.A OG1 no hydrogen 3.407 N/A ASN 113.A ND2 GLU 74.A O no hydrogen 2.760 N/A ALA 114.A N THR 110.A O no hydrogen 3.031 N/A LEU 115.A N VAL 111.A O no hydrogen 2.800 N/A LEU 116.A N LEU 112.A O no hydrogen 2.992 N/A HIS 117.A N ASN 113.A O no hydrogen 3.219 N/A TYR 118.A N ALA 114.A O no hydrogen 2.932 N/A TYR 118.A OH GLU 85.A OE1 no hydrogen 2.568 N/A TYR 119.A N LEU 115.A O no hydrogen 2.911 N/A ILE 122.A N TYR 119.A O no hydrogen 2.956 N/A ALA 123.A N PRO 120.A O no hydrogen 3.019 N/A ASP 124.A N PRO 121.A O no hydrogen 3.158 N/A VAL 125.A N ILE 122.A O no hydrogen 2.965 N/A ALA 128.A N VAL 125.A O no hydrogen 3.028 N/A GLY 129.A N PRO 126.A O no hydrogen 2.919 N/A ILE 130.A N ARG 127.A O no hydrogen 2.984 N/A ARG 133.A NH2 ASP 135.A OD1 no hydrogen 2.577 N/A THR 138.A N ASP 135.A O no hydrogen 3.133 N/A THR 139.A N LEU 275.A O no hydrogen 3.441 N/A THR 139.A OG1 LEU 275.A O no hydrogen 3.524 N/A GLY 140.A N LYS 94.A O no hydrogen 2.859 N/A LEU 141.A N ALA 277.A O no hydrogen 3.023 N/A MET 142.A N ILE 92.A O no hydrogen 3.179 N/A VAL 143.A N HIS 132.A NE2 no hydrogen 3.046 N/A VAL 144.A N ILE 90.A O no hydrogen 2.944 N/A ALA 145.A N GLY 129.A O no hydrogen 2.904 N/A LYS 146.A N ASP 88.A O no hydrogen 2.727 N/A LYS 146.A NZ GLU 85.A OE2 no hydrogen 2.724 N/A LYS 146.A NZ ASP 86.A O no hydrogen 2.745 N/A ALA 150.A N THR 147.A OG1 no hydrogen 3.143 N/A GLN 151.A N THR 147.A O no hydrogen 2.992 N/A THR 152.A N VAL 148.A O no hydrogen 3.136 N/A THR 152.A OG1 VAL 148.A O no hydrogen 3.443 N/A ARG 153.A N PRO 149.A O no hydrogen 3.111 N/A ARG 153.A NH2 PRO 285.A O no hydrogen 2.625 N/A LEU 154.A N ALA 150.A O no hydrogen 2.927 N/A VAL 155.A N GLN 151.A O no hydrogen 2.943 N/A GLU 156.A N THR 152.A O no hydrogen 3.048 N/A SER 157.A N ARG 153.A O no hydrogen 2.986 N/A SER 157.A OG ARG 153.A O no hydrogen 3.120 N/A LEU 158.A N LEU 154.A O no hydrogen 2.976 N/A GLN 159.A N VAL 155.A O no hydrogen 3.005 N/A ARG 160.A N GLU 156.A O no hydrogen 2.980 N/A ARG 160.A NE GLU 156.A O no hydrogen 3.505 N/A ARG 161.A N LEU 158.A O no hydrogen 2.831 N/A ARG 161.A NE GLU 225.A OE1 no hydrogen 3.410 N/A ARG 161.A NH2 GLU 225.A OE1 no hydrogen 3.268 N/A GLU 162.A N SER 157.A O no hydrogen 2.754 N/A THR 164.A N ARG 281.A O no hydrogen 2.826 N/A GLU 166.A N MET 279.A O no hydrogen 2.973 N/A TYR 167.A N LEU 222.A O no hydrogen 2.851 N/A GLU 168.A N HIS 276.A O no hydrogen 2.852 N/A ALA 169.A N LEU 220.A O no hydrogen 2.946 N/A VAL 170.A N ALA 274.A O no hydrogen 3.124 N/A ALA 171.A N THR 218.A O no hydrogen 2.897 N/A ILE 172.A N PRO 242.A O no hydrogen 2.875 N/A GLY 173.A N VAL 216.A O no hydrogen 2.777 N/A MET 175.A N THR 218.A OG1 no hydrogen 3.104 N/A GLY 179.A N TYR 208.A O no hydrogen 2.880 N/A VAL 181.A N THR 206.A O no hydrogen 2.849 N/A GLU 183.A N ALA 204.A O no hydrogen 3.096 N/A ILE 185.A N LYS 202.A O no hydrogen 2.768 N/A SER 186.A N ALA 196.A O no hydrogen 2.850 N/A HIS 188.A N HIS 194.A O no hydrogen 3.087 N/A THR 190.A N HIS 188.A ND1 no hydrogen 3.120 N/A LYS 191.A N HIS 188.A ND1 no hydrogen 2.980 N/A THR 193.A OG1 HIS 194.A ND1 no hydrogen 2.530 N/A HIS 194.A N LYS 191.A O no hydrogen 3.057 N/A HIS 194.A ND1 THR 193.A OG1 no hydrogen 2.530 N/A MET 195.A N TYR 249.A OH no hydrogen 2.828 N/A ALA 196.A N SER 186.A O no hydrogen 2.864 N/A HIS 198.A N PRO 184.A O no hydrogen 3.021 N/A MET 200.A N HIS 198.A ND1 no hydrogen 2.800 N/A GLY 201.A N HIS 198.A O no hydrogen 2.868 N/A LYS 202.A N ILE 185.A O no hydrogen 2.877 N/A VAL 205.A N THR 226.A OG1 no hydrogen 3.129 N/A THR 206.A N VAL 181.A O no hydrogen 2.946 N/A THR 206.A OG1 GLN 231.A OE1 no hydrogen 2.899 N/A HIS 207.A N ARG 223.A O no hydrogen 2.854 N/A TYR 208.A N GLY 179.A O no hydrogen 2.957 N/A ARG 209.A N ARG 221.A O no hydrogen 2.803 N/A ARG 209.A NH1 GLU 166.A OE2 no hydrogen 2.784 N/A ARG 209.A NH2 GLU 166.A OE2 no hydrogen 3.217 N/A MET 211.A N ARG 219.A O no hydrogen 2.744 N/A GLU 212.A N ARG 219.A O no hydrogen 3.379 N/A PHE 214.A N HIS 217.A O no hydrogen 3.018 N/A ARG 215.A NE ASP 311.A OD1 no hydrogen 2.813 N/A ARG 215.A NH1 LYS 257.A O no hydrogen 2.826 N/A ARG 215.A NH2 LYS 257.A O no hydrogen 2.906 N/A ARG 215.A NH2 ASP 311.A OD1 no hydrogen 3.450 N/A ARG 215.A NH2 ASP 311.A OD2 no hydrogen 2.985 N/A THR 218.A N ALA 171.A O no hydrogen 2.977 N/A THR 218.A OG1 GLY 173.A O no hydrogen 2.762 N/A ARG 219.A N GLU 212.A O no hydrogen 2.856 N/A ARG 219.A NE GLU 212.A OE1 no hydrogen 2.929 N/A ARG 219.A NH1 GLU 168.A OE1 no hydrogen 3.171 N/A ARG 219.A NH1 GLU 168.A OE2 no hydrogen 3.071 N/A ARG 219.A NH2 GLU 212.A OE1 no hydrogen 3.099 N/A LEU 220.A N ALA 169.A O no hydrogen 2.793 N/A ARG 221.A N ARG 209.A O no hydrogen 2.929 N/A ARG 221.A NE GLU 168.A OE1 no hydrogen 2.767 N/A ARG 221.A NH1 GLU 166.A OE1 no hydrogen 2.977 N/A ARG 221.A NH2 GLU 168.A OE1 no hydrogen 2.954 N/A LEU 222.A N TYR 167.A O no hydrogen 2.977 N/A ARG 223.A N HIS 207.A O no hydrogen 2.858 N/A ARG 223.A NE GLU 166.A OE2 no hydrogen 2.632 N/A ARG 223.A NH2 GLU 166.A OE2 no hydrogen 2.955 N/A LEU 224.A N ARG 165.A O no hydrogen 3.231 N/A GLU 225.A N VAL 205.A O no hydrogen 3.015 N/A ARG 228.A NE PRO 203.A O no hydrogen 2.803 N/A ARG 228.A NH2 PRO 203.A O no hydrogen 2.825 N/A HIS 230.A ND1 TYR 249.A OH no hydrogen 2.538 N/A GLN 231.A N ARG 228.A O no hydrogen 3.046 N/A GLN 231.A NE2 THR 226.A OG1 no hydrogen 2.510 N/A ARG 233.A NE ASP 246.A OD2 no hydrogen 2.833 N/A ARG 233.A NH1 ASP 135.A OD2 no hydrogen 2.966 N/A ARG 233.A NH2 ASP 246.A OD1 no hydrogen 2.931 N/A VAL 234.A N HIS 230.A O no hydrogen 2.866 N/A HIS 235.A N GLN 231.A O no hydrogen 2.943 N/A HIS 235.A NE2 ALA 204.A O no hydrogen 3.313 N/A MET 236.A N ILE 232.A O no hydrogen 2.876 N/A ALA 237.A N ARG 233.A O no hydrogen 2.967 N/A HIS 238.A N VAL 234.A O no hydrogen 2.765 N/A ILE 239.A N HIS 235.A O no hydrogen 3.310 N/A THR 240.A N ALA 237.A O no hydrogen 2.962 N/A THR 240.A OG1 ILE 239.A O no hydrogen 2.683 N/A HIS 241.A N MET 236.A O no hydrogen 2.956 N/A HIS 241.A ND1 ILE 172.A O no hydrogen 2.727 N/A VAL 244.A N VAL 170.A O no hydrogen 2.996 N/A ASP 246.A N LEU 243.A O no hydrogen 3.219 N/A VAL 248.A N ASP 246.A OD1 no hydrogen 2.882 N/A TYR 249.A N ASP 246.A OD1 no hydrogen 3.032 N/A TYR 249.A OH HIS 230.A ND1 no hydrogen 2.538 N/A GLY 250.A N ASP 246.A O no hydrogen 3.284 N/A ALA 259.A N PRO 256.A O no hydrogen 3.280 N/A PHE 263.A N SER 260.A OG no hydrogen 3.031 N/A ILE 264.A N SER 260.A O no hydrogen 3.066 N/A SER 265.A N GLU 261.A O no hydrogen 2.932 N/A THR 266.A N ALA 262.A O no hydrogen 2.923 N/A THR 266.A OG1 ALA 262.A O no hydrogen 2.652 N/A LEU 267.A N PHE 263.A O no hydrogen 2.946 N/A ARG 268.A N ILE 264.A O no hydrogen 2.935 N/A LYS 269.A N SER 265.A O no hydrogen 3.075 N/A LYS 269.A NZ SER 265.A OG no hydrogen 3.311 N/A PHE 270.A N THR 266.A O no hydrogen 3.167 N/A ARG 272.A NE ASP 300.A OD2 no hydrogen 2.736 N/A ARG 272.A NH1 ASP 300.A OD1 no hydrogen 2.970 N/A ARG 272.A NH2 ASP 137.A O no hydrogen 2.965 N/A ARG 272.A NH2 LEU 275.A O no hydrogen 2.983 N/A GLN 273.A N GLN 273.A OE1 no hydrogen 2.902 N/A GLN 273.A NE2 THR 138.A OG1 no hydrogen 2.968 N/A ALA 274.A N VAL 244.A O no hydrogen 2.789 N/A HIS 276.A N GLU 168.A O no hydrogen 2.923 N/A ALA 277.A N THR 139.A O no hydrogen 2.709 N/A THR 278.A N GLU 166.A O no hydrogen 2.842 N/A THR 278.A OG1 ALA 295.A O no hydrogen 3.472 N/A MET 279.A N GLU 166.A O no hydrogen 3.382 N/A LEU 280.A N TRP 293.A O no hydrogen 3.009 N/A ARG 281.A N THR 164.A O no hydrogen 3.009 N/A ARG 281.A NE GLU 292.A OE1 no hydrogen 2.634 N/A ARG 281.A NH2 GLU 292.A OE1 no hydrogen 2.893 N/A LEU 282.A N MET 291.A O no hydrogen 2.981 N/A HIS 284.A N ILE 289.A O no hydrogen 2.944 N/A HIS 284.A NE2 ASP 88.A OD1 no hydrogen 3.198 N/A GLY 288.A N HIS 284.A O no hydrogen 2.735 N/A ILE 289.A N SER 287.A OG no hydrogen 3.231 N/A MET 291.A N LEU 282.A O no hydrogen 2.770 N/A TRP 293.A N LEU 280.A O no hydrogen 2.910 N/A ALA 295.A N THR 278.A O no hydrogen 2.982 N/A VAL 302.A N PRO 298.A O no hydrogen 3.042 N/A GLU 303.A N GLN 299.A O no hydrogen 2.951 N/A LEU 304.A N ASP 300.A O no hydrogen 3.226 N/A ILE 305.A N MET 301.A O no hydrogen 2.740 N/A GLU 306.A N VAL 302.A O no hydrogen 2.929 N/A VAL 307.A N GLU 303.A O no hydrogen 3.036 N/A MET 308.A N LEU 304.A O no hydrogen 3.149 N/A ARG 309.A N ILE 305.A O no hydrogen 2.797 N/A ARG 309.A NE GLU 212.A OE2 no hydrogen 2.747 N/A ARG 309.A NH2 GLU 212.A OE1 no hydrogen 2.906 N/A ALA 310.A N GLU 306.A O no hydrogen 2.877 N/A ASP 311.A N VAL 307.A O no hydrogen 3.021 N/A PHE 312.A N MET 308.A O no hydrogen 3.069 N/A GLU 313.A N ARG 309.A O no hydrogen 3.016 N/A GLU 314.A N ALA 310.A O no hydrogen 2.908 N/A HIS 315.A N.A ASP 311.A O no hydrogen 3.084 N/A HIS 315.A N.B ASP 311.A O no hydrogen 3.081 N/A LYS 316.A N GLU 313.A O no hydrogen 3.130 N/A LYS 316.A NZ PHE 312.A O no hydrogen 2.996 N/A LYS 316.A NZ HIS 315.A ND1.B no hydrogen 2.910 N/A GLU 318.A N GLU 318.A OE1 no hydrogen 2.591 N/A