Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pkq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A OG1 ASP 101.A OD1 no hydrogen 2.663 N/A ARG 2.A NH1 ALA 45.A O no hydrogen 2.785 N/A ARG 2.A NH2 GLU 122.A OE2 no hydrogen 3.042 N/A LYS 3.A NZ PHE 97.A O no hydrogen 2.702 N/A LYS 3.A NZ ILE 98.A O no hydrogen 3.164 N/A LYS 3.A NZ ASP 101.A OD2 no hydrogen 3.062 N/A GLY 4.A N ASP 49.A O no hydrogen 3.027 N/A ILE 5.A N ALA 104.A O no hydrogen 2.822 N/A ILE 6.A N LEU 51.A O no hydrogen 2.825 N/A LEU 7.A N VAL 106.A O no hydrogen 3.047 N/A ALA 8.A N ILE 53.A O no hydrogen 2.830 N/A LEU 15.A N GLY 12.A O no hydrogen 2.897 N/A TYR 16.A N THR 13.A O no hydrogen 3.270 N/A THR 19.A OG1 GLY 12.A O no hydrogen 2.562 N/A MET 20.A N PRO 17.A O no hydrogen 3.256 N/A LYS 24.A NZ ASP 109.A OD2 no hydrogen 2.569 N/A GLN 25.A N SER 23.A OG no hydrogen 3.295 N/A LEU 26.A N SER 23.A O no hydrogen 2.826 N/A LEU 27.A N LYS 24.A O no hydrogen 3.082 N/A ILE 29.A N LYS 32.A O no hydrogen 2.733 N/A TYR 30.A N SER 232.A OG no hydrogen 2.966 N/A LYS 32.A NZ ASP 31.A OD1 no hydrogen 2.546 N/A LYS 32.A NZ TYR 37.A OH no hydrogen 3.452 N/A LYS 32.A NZ GLU 239.A OE2 no hydrogen 2.884 N/A MET 34.A N LEU 27.A O no hydrogen 2.810 N/A ILE 35.A N GLN 25.A O no hydrogen 3.087 N/A TYR 36.A N PRO 33.A O no hydrogen 2.821 N/A TYR 37.A N MET 34.A O no hydrogen 3.128 N/A TYR 37.A OH ILE 29.A O no hydrogen 2.538 N/A LEU 39.A N ILE 35.A O no hydrogen 3.154 N/A SER 40.A N TYR 36.A O no hydrogen 2.870 N/A SER 40.A OG TYR 36.A O no hydrogen 2.811 N/A THR 41.A N TYR 37.A O no hydrogen 2.987 N/A THR 41.A OG1 TYR 37.A O no hydrogen 3.166 N/A LEU 42.A N PRO 38.A O no hydrogen 3.163 N/A MET 43.A N LEU 39.A O no hydrogen 2.970 N/A LEU 44.A N SER 40.A O no hydrogen 2.833 N/A ALA 45.A N LEU 42.A O no hydrogen 3.080 N/A GLY 46.A N MET 43.A O no hydrogen 2.846 N/A ILE 47.A N LEU 42.A O no hydrogen 3.067 N/A ARG 48.A NH1 GLY 73.A O no hydrogen 2.875 N/A ILE 50.A N ASN 75.A O no hydrogen 2.992 N/A LEU 51.A N GLY 4.A O no hydrogen 2.842 N/A ILE 52.A N GLN 77.A O no hydrogen 2.870 N/A ILE 53.A N ILE 6.A O no hydrogen 2.990 N/A SER 54.A N LYS 79.A O no hydrogen 3.117 N/A SER 54.A OG ALA 8.A O no hydrogen 2.709 N/A THR 55.A N SER 54.A OG no hydrogen 2.685 N/A THR 55.A OG1 ASP 58.A OD2 no hydrogen 2.981 N/A ASP 58.A N THR 55.A OG1 no hydrogen 2.991 N/A THR 59.A N THR 55.A O no hydrogen 2.942 N/A THR 59.A OG1 THR 55.A O no hydrogen 2.640 N/A PHE 62.A N ASP 58.A O no hydrogen 3.053 N/A GLN 63.A N THR 59.A O no hydrogen 3.053 N/A GLN 64.A N PRO 60.A O no hydrogen 2.899 N/A LEU 65.A N ARG 61.A O no hydrogen 3.040 N/A LEU 66.A N PHE 62.A O no hydrogen 2.673 N/A GLY 67.A N GLN 63.A O no hydrogen 2.654 N/A SER 70.A N ASP 68.A OD1 no hydrogen 2.968 N/A SER 70.A OG ASP 68.A OD1 no hydrogen 2.463 N/A GLN 71.A N GLN 71.A OE1 no hydrogen 2.714 N/A GLN 71.A NE2 LEU 66.A O no hydrogen 2.722 N/A TRP 72.A N GLY 69.A O no hydrogen 2.947 N/A GLY 73.A N SER 70.A O no hydrogen 3.034 N/A LEU 74.A N GLY 69.A O no hydrogen 2.949 N/A ASN 75.A N ARG 48.A O no hydrogen 2.814 N/A ASN 75.A ND2 ASP 49.A OD2 no hydrogen 3.082 N/A LEU 76.A N ASP 68.A O no hydrogen 2.823 N/A GLN 77.A N ILE 50.A O no hydrogen 3.037 N/A TYR 78.A OH GLY 67.A O no hydrogen 2.767 N/A LYS 79.A N ILE 52.A O no hydrogen 3.073 N/A LYS 79.A NZ ILE 93.A O no hydrogen 3.424 N/A ASP 81.A N SER 54.A O no hydrogen 3.036 N/A GLY 86.A N GLU 192.A OE2 no hydrogen 3.149 N/A ALA 88.A N LEU 193.A O no hydrogen 3.029 N/A GLN 89.A N GLY 86.A O no hydrogen 3.396 N/A ALA 90.A N LEU 87.A O no hydrogen 3.099 N/A PHE 91.A N ALA 88.A O no hydrogen 3.316 N/A ILE 92.A N GLN 89.A O no hydrogen 3.121 N/A ILE 93.A N GLN 89.A O no hydrogen 2.888 N/A GLY 94.A N ALA 90.A O no hydrogen 2.871 N/A GLU 95.A N ILE 92.A O no hydrogen 3.197 N/A ILE 98.A N GLY 94.A O no hydrogen 2.819 N/A GLY 99.A N GLU 95.A O no hydrogen 2.932 N/A ASP 101.A N ILE 98.A O no hydrogen 3.113 N/A CYS 103.A N TYR 174.A O no hydrogen 2.834 N/A CYS 103.A SG LYS 3.A O no hydrogen 3.834 N/A CYS 103.A SG ALA 104.A O no hydrogen 3.549 N/A ALA 104.A N LYS 3.A O no hydrogen 2.933 N/A LEU 105.A N TYR 172.A O no hydrogen 2.752 N/A VAL 106.A N ILE 5.A O no hydrogen 2.938 N/A LEU 107.A N GLY 170.A O no hydrogen 2.982 N/A GLY 108.A N LEU 7.A O no hydrogen 2.660 N/A ASN 110.A N LEU 107.A O no hydrogen 3.080 N/A ASN 110.A ND2 ASP 109.A OD1 no hydrogen 3.212 N/A ILE 111.A N LEU 220.A O no hydrogen 3.280 N/A TYR 113.A N ALA 218.A O no hydrogen 2.948 N/A LEU 117.A N GLY 114.A O no hydrogen 3.083 N/A LYS 119.A NZ ASP 116.A OD1 no hydrogen 2.673 N/A LEU 120.A N ASP 116.A O no hydrogen 3.182 N/A MET 121.A N LEU 117.A O no hydrogen 2.879 N/A GLU 122.A N PRO 118.A O no hydrogen 2.855 N/A ALA 123.A N LYS 119.A O no hydrogen 3.159 N/A ALA 124.A N LEU 120.A O no hydrogen 3.281 N/A VAL 125.A N MET 121.A O no hydrogen 2.936 N/A ASN 126.A N GLU 122.A O no hydrogen 2.835 N/A ASN 126.A ND2 GLU 122.A OE2 no hydrogen 3.247 N/A LYS 127.A NZ SER 129.A O no hydrogen 3.465 N/A LYS 127.A NZ ALA 131.A O no hydrogen 3.194 N/A LYS 127.A NZ SER 209.A OG no hydrogen 2.941 N/A GLY 130.A N ASP 175.A OD2 no hydrogen 2.696 N/A ALA 131.A N ARG 207.A O no hydrogen 3.009 N/A THR 132.A N PHE 173.A O no hydrogen 2.852 N/A VAL 133.A N SER 209.A O no hydrogen 3.146 N/A ALA 135.A N ALA 211.A O no hydrogen 2.809 N/A TYR 136.A N ALA 167.A O no hydrogen 3.041 N/A TYR 136.A OH TYR 217.A O no hydrogen 3.017 N/A VAL 138.A N ASN 165.A O no hydrogen 2.896 N/A ARG 143.A N ASP 140.A O no hydrogen 3.332 N/A ARG 143.A NE ASP 140.A OD2 no hydrogen 2.590 N/A TYR 144.A N PRO 141.A O no hydrogen 3.014 N/A VAL 146.A N GLU 156.A O no hydrogen 2.925 N/A VAL 147.A N TYR 166.A O no hydrogen 3.074 N/A GLU 148.A N SER 154.A O no hydrogen 3.155 N/A ASP 150.A N THR 151.A O no hydrogen 2.614 N/A ALA 152.A N LEU 208.A O no hydrogen 3.076 N/A VAL 153.A N GLU 148.A O no hydrogen 2.568 N/A SER 154.A N GLU 148.A O no hydrogen 3.200 N/A GLU 156.A N VAL 146.A O no hydrogen 3.076 N/A LYS 158.A N TYR 144.A O no hydrogen 3.191 N/A LYS 158.A NZ GLU 157.A OE2 no hydrogen 3.233 N/A TYR 166.A N SER 164.A OG no hydrogen 3.356 N/A ALA 167.A N TYR 136.A O no hydrogen 2.814 N/A VAL 168.A N GLY 145.A O no hydrogen 2.794 N/A THR 169.A N PHE 134.A O no hydrogen 2.770 N/A THR 169.A OG1 PHE 134.A O no hydrogen 2.877 N/A GLY 170.A N ASN 110.A OD1 no hydrogen 2.815 N/A TYR 172.A N LEU 105.A O no hydrogen 2.739 N/A PHE 173.A N THR 132.A O no hydrogen 2.945 N/A TYR 174.A N CYS 103.A O no hydrogen 2.713 N/A TYR 174.A OH ASN 199.A OD1 no hydrogen 2.564 N/A ASP 175.A N GLY 130.A O no hydrogen 3.196 N/A ASN 176.A ND2 GLY 99.A O no hydrogen 3.434 N/A SER 177.A N ASP 175.A OD1 no hydrogen 3.150 N/A SER 177.A OG ASP 175.A OD1 no hydrogen 2.596 N/A SER 177.A OG TYR 202.A OH no hydrogen 3.298 N/A VAL 178.A N ASP 175.A O no hydrogen 3.199 N/A VAL 179.A N ASN 176.A O no hydrogen 3.307 N/A MET 181.A N SER 177.A O no hydrogen 3.198 N/A ALA 182.A N VAL 178.A O no hydrogen 2.796 N/A LYS 183.A N VAL 179.A O no hydrogen 3.037 N/A LYS 183.A NZ GLU 95.A OE2 no hydrogen 2.895 N/A LYS 183.A NZ GLU 180.A OE1 no hydrogen 3.260 N/A ASN 184.A N GLU 180.A O no hydrogen 2.990 N/A LEU 185.A N ALA 182.A O no hydrogen 3.232 N/A SER 188.A N GLU 192.A O no hydrogen 2.925 N/A SER 188.A OG GLU 192.A O no hydrogen 3.281 N/A SER 188.A OG GLU 194.A OE2 no hydrogen 3.074 N/A ARG 190.A NE GLU 194.A OE2 no hydrogen 2.642 N/A ARG 190.A NH2 GLU 194.A OE1 no hydrogen 3.206 N/A ARG 190.A NH2 GLU 194.A OE2 no hydrogen 3.092 N/A GLY 191.A N SER 188.A O no hydrogen 2.733 N/A THR 196.A OG1 GLU 157.A OE1 no hydrogen 2.521 N/A ILE 198.A N GLU 194.A O no hydrogen 3.250 N/A ASN 199.A N ILE 195.A O no hydrogen 2.877 N/A ARG 200.A N THR 196.A O no hydrogen 2.861 N/A ARG 200.A NH1 ASP 197.A OD1 no hydrogen 3.180 N/A ARG 200.A NH2 LEU 155.A O no hydrogen 2.735 N/A ILE 201.A N ASP 197.A O no hydrogen 3.003 N/A TYR 202.A N ILE 198.A O no hydrogen 3.273 N/A TYR 202.A OH ASP 175.A OD1 no hydrogen 2.921 N/A TYR 202.A OH SER 177.A OG no hydrogen 3.298 N/A MET 203.A N ASN 199.A O no hydrogen 3.076 N/A GLU 204.A N ARG 200.A O no hydrogen 2.707 N/A GLN 205.A N ILE 201.A O no hydrogen 3.099 N/A GLN 205.A N TYR 202.A O no hydrogen 3.208 N/A GLY 206.A N MET 203.A O no hydrogen 2.732 N/A ARG 207.A N TYR 202.A O no hydrogen 2.798 N/A ARG 207.A NH1 GLN 205.A OE1 no hydrogen 2.471 N/A ARG 207.A NH2 SER 177.A OG no hydrogen 3.178 N/A SER 209.A N ALA 131.A O no hydrogen 2.937 N/A ALA 211.A N VAL 133.A O no hydrogen 2.762 N/A MET 213.A N ALA 135.A O no hydrogen 2.832 N/A TYR 217.A N GLY 214.A O no hydrogen 3.196 N/A ALA 218.A N TYR 113.A O no hydrogen 2.810 N/A TRP 219.A NE1 ASN 110.A OD1 no hydrogen 2.931 N/A LEU 220.A N ILE 111.A O no hydrogen 2.998 N/A THR 222.A OG1 ASP 109.A O no hydrogen 3.181 N/A THR 224.A N SER 227.A OG no hydrogen 2.905 N/A THR 224.A OG1 SER 227.A OG no hydrogen 3.078 N/A SER 227.A N THR 224.A OG1 no hydrogen 3.157 N/A SER 227.A OG ASP 221.A O no hydrogen 3.386 N/A SER 227.A OG THR 224.A O no hydrogen 3.133 N/A SER 227.A OG THR 224.A OG1 no hydrogen 3.078 N/A LEU 228.A N THR 224.A O no hydrogen 3.023 N/A ILE 229.A N HIS 225.A O no hydrogen 3.159 N/A GLU 230.A N GLN 226.A O no hydrogen 3.054 N/A ALA 231.A N SER 227.A O no hydrogen 2.846 N/A SER 232.A N LEU 228.A O no hydrogen 3.029 N/A SER 232.A OG LEU 228.A O no hydrogen 3.238 N/A ASN 233.A N ILE 229.A O no hydrogen 3.018 N/A PHE 234.A N GLU 230.A O no hydrogen 2.913 N/A ILE 235.A N ALA 231.A O no hydrogen 2.977 N/A ALA 236.A N SER 232.A O no hydrogen 2.910 N/A THR 237.A N ASN 233.A O no hydrogen 2.871 N/A THR 237.A OG1 ASN 233.A O no hydrogen 2.815 N/A ILE 238.A N PHE 234.A O no hydrogen 2.961 N/A GLU 239.A N ILE 235.A O no hydrogen 2.979 N/A GLU 240.A N ALA 236.A O no hydrogen 3.056 N/A ARG 241.A N THR 237.A O no hydrogen 2.982 N/A GLN 242.A N ILE 238.A O no hydrogen 2.947 N/A LYS 245.A NZ ASP 31.A OD2 no hydrogen 2.643 N/A LYS 245.A NZ GLU 239.A OE1 no hydrogen 2.710 N/A VAL 246.A N GLU 239.A OE2 no hydrogen 2.834 N/A CYS 248.A SG GLU 250.A OE1 no hydrogen 3.541 N/A CYS 248.A SG TYR 276.A OH no hydrogen 3.492 N/A GLU 250.A N GLU 250.A OE1 no hydrogen 2.805 N/A ILE 252.A N CYS 248.A O no hydrogen 2.967 N/A ALA 253.A N PRO 249.A O no hydrogen 2.788 N/A PHE 254.A N GLU 250.A O no hydrogen 2.982 N/A ARG 255.A N GLU 251.A O no hydrogen 2.872 N/A LYS 256.A N ILE 252.A O no hydrogen 3.059 N/A ASN 257.A N PHE 254.A O no hydrogen 3.033 N/A PHE 258.A N ALA 253.A O no hydrogen 2.728 N/A ILE 259.A N ALA 253.A O no hydrogen 3.243 N/A ASN 260.A N GLN 263.A OE1 no hydrogen 2.562 N/A GLN 263.A N ASN 260.A O no hydrogen 3.177 N/A GLN 263.A N ASN 260.A OD1 no hydrogen 3.043 N/A VAL 264.A N ASN 260.A O no hydrogen 3.098 N/A ILE 265.A N ALA 261.A O no hydrogen 2.947 N/A GLU 266.A N GLN 262.A O no hydrogen 3.189 N/A LEU 267.A N GLN 263.A O no hydrogen 3.055 N/A ALA 268.A N VAL 264.A O no hydrogen 2.768 N/A GLY 269.A N GLU 266.A O no hydrogen 3.350 N/A LEU 271.A N ALA 268.A O no hydrogen 3.256 N/A SER 272.A N GLY 269.A O no hydrogen 3.153 N/A SER 272.A OG GLY 269.A O no hydrogen 2.991 N/A ASN 274.A N LEU 271.A O no hydrogen 3.283 N/A TYR 276.A N ASN 274.A OD1 no hydrogen 2.728 N/A TYR 276.A OH GLU 250.A OE1 no hydrogen 2.720 N/A GLY 277.A N ASN 274.A OD1 no hydrogen 3.258 N/A LYS 278.A N ASN 274.A O no hydrogen 3.323 N/A TYR 279.A N ASP 275.A O no hydrogen 2.810 N/A TYR 279.A OH GLU 251.A OE2 no hydrogen 2.709 N/A LEU 280.A N TYR 276.A O no hydrogen 3.339 N/A LEU 281.A N GLY 277.A O no hydrogen 3.255 N/A LYS 282.A N LYS 278.A O no hydrogen 2.933 N/A MET 283.A N TYR 279.A O no hydrogen 2.924 N/A VAL 284.A N LEU 281.A O no hydrogen 3.047 N/A LYS 285.A N LYS 282.A O no hydrogen 3.201 N/A