Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qqk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 2.A N GLU 2.A OE1 no hydrogen 2.543 N/A GLN 5.A N ARG 22.A O no hydrogen 3.207 N/A LYS 6.A NZ TYR 19.A OH no hydrogen 3.241 N/A VAL 7.A N LYS 20.A O no hydrogen 2.817 N/A GLU 8.A N LYS 20.A O no hydrogen 3.494 N/A GLY 11.A N VAL 18.A O no hydrogen 3.209 N/A TYR 15.A OH GLY 143.A O no hydrogen 2.752 N/A VAL 17.A N LYS 34.A O no hydrogen 3.277 N/A VAL 18.A N GLY 11.A O no hydrogen 2.848 N/A TYR 19.A N LEU 32.A O no hydrogen 2.791 N/A LYS 20.A N GLU 8.A O no hydrogen 2.844 N/A ALA 21.A N VAL 30.A O no hydrogen 2.793 N/A ARG 22.A N GLN 5.A O no hydrogen 3.275 N/A ARG 22.A NH1 GLN 5.A OE1 no hydrogen 3.305 N/A ASN 23.A N GLU 28.A O no hydrogen 2.748 N/A LYS 24.A N ASN 3.A O no hydrogen 2.859 N/A LYS 24.A NZ GLU 2.A O no hydrogen 3.364 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 3.152 N/A THR 26.A N ASN 23.A OD1 no hydrogen 3.054 N/A GLY 27.A N ASN 23.A O no hydrogen 2.699 N/A GLU 28.A N THR 26.A OG1 no hydrogen 3.286 N/A VAL 30.A N ALA 21.A O no hydrogen 2.719 N/A ALA 31.A N PHE 76.A O no hydrogen 2.959 N/A LEU 32.A N TYR 19.A O no hydrogen 2.715 N/A LYS 33.A N LEU 74.A O no hydrogen 2.957 N/A LYS 33.A NZ ASP 141.A OD1 no hydrogen 2.651 N/A LYS 34.A N VAL 17.A O no hydrogen 2.871 N/A ILE 35.A N LEU 72.A O no hydrogen 2.610 N/A THR 37.A OG1 ARG 36.A O no hydrogen 2.602 N/A ARG 46.A N SER 42.A O no hydrogen 3.171 N/A ARG 46.A NH1 SER 42.A O no hydrogen 2.687 N/A GLU 47.A N THR 43.A O no hydrogen 3.065 N/A ILE 48.A N ALA 44.A O no hydrogen 2.651 N/A SER 49.A N ARG 46.A O no hydrogen 3.163 N/A SER 49.A OG ILE 45.A O no hydrogen 3.051 N/A LEU 51.A N GLU 47.A O no hydrogen 3.432 N/A LYS 52.A N ILE 48.A O no hydrogen 2.959 N/A GLU 53.A N SER 49.A O no hydrogen 3.010 N/A GLU 53.A N LEU 50.A O no hydrogen 3.200 N/A LEU 54.A N LEU 51.A O no hydrogen 3.207 N/A ASN 58.A ND2 GLN 106.A OE1 no hydrogen 3.027 N/A ASN 58.A ND2 ILE 137.A O no hydrogen 3.018 N/A ILE 59.A N HIS 56.A O no hydrogen 3.045 N/A VAL 60.A N LEU 139.A O no hydrogen 2.878 N/A LYS 61.A N GLU 77.A OE2 no hydrogen 2.709 N/A LYS 61.A NZ LYS 52.A O no hydrogen 3.443 N/A LYS 61.A NZ LEU 62.A O no hydrogen 2.558 N/A LEU 63.A N VAL 75.A O no hydrogen 2.646 N/A ASP 64.A N VAL 75.A O no hydrogen 3.240 N/A ILE 66.A N TYR 73.A O no hydrogen 2.758 N/A THR 68.A N LYS 71.A O no hydrogen 3.001 N/A LYS 71.A N THR 68.A O no hydrogen 3.120 N/A LEU 72.A N ILE 35.A O no hydrogen 3.125 N/A TYR 73.A N ILE 66.A O no hydrogen 2.758 N/A LEU 74.A N LYS 33.A O no hydrogen 2.881 N/A VAL 75.A N ASP 64.A O no hydrogen 2.727 N/A PHE 76.A N ALA 31.A O no hydrogen 2.891 N/A GLU 77.A N LYS 61.A O no hydrogen 3.023 N/A LEU 83.A N LEU 129.A O no hydrogen 2.725 N/A LYS 84.A NZ ASP 88.A OD2 no hydrogen 3.500 N/A LYS 85.A N ASP 82.A OD1 no hydrogen 2.842 N/A PHE 86.A N ASP 82.A O no hydrogen 3.169 N/A MET 87.A N LEU 83.A O no hydrogen 2.847 N/A ASP 88.A N LYS 84.A O no hydrogen 2.979 N/A ALA 89.A N LYS 85.A O no hydrogen 2.892 N/A SER 90.A N MET 87.A O no hydrogen 3.078 N/A SER 90.A OG PHE 86.A O no hydrogen 2.689 N/A ALA 91.A N ASP 88.A O no hydrogen 3.238 N/A GLY 94.A N SER 90.A O no hydrogen 2.431 N/A LEU 99.A N PRO 96.A O no hydrogen 2.847 N/A ILE 100.A N PRO 96.A O no hydrogen 3.047 N/A LYS 101.A N LEU 97.A O no hydrogen 2.731 N/A LYS 101.A NZ PHE 281.A O no hydrogen 2.954 N/A LYS 101.A NZ ASP 284.A OD1 no hydrogen 2.588 N/A SER 102.A N PRO 98.A O no hydrogen 2.959 N/A TYR 103.A N LEU 99.A O no hydrogen 2.895 N/A LEU 104.A N ILE 100.A O no hydrogen 2.944 N/A PHE 105.A N LYS 101.A O no hydrogen 2.971 N/A GLN 106.A N SER 102.A O no hydrogen 2.929 N/A GLN 106.A NE2 SER 102.A O no hydrogen 3.564 N/A GLN 106.A NE2 SER 102.A OG no hydrogen 2.967 N/A GLN 106.A NE2 GLY 135.A O no hydrogen 2.909 N/A LEU 107.A N TYR 103.A O no hydrogen 2.920 N/A LEU 108.A N LEU 104.A O no hydrogen 2.955 N/A GLN 109.A N PHE 105.A O no hydrogen 3.066 N/A GLN 109.A NE2 PHE 105.A O no hydrogen 3.512 N/A GLY 110.A N GLN 106.A O no hydrogen 2.934 N/A LEU 111.A N LEU 107.A O no hydrogen 2.872 N/A ALA 112.A N LEU 108.A O no hydrogen 2.780 N/A PHE 113.A N GLN 109.A O no hydrogen 3.008 N/A CYS 114.A N GLY 110.A O no hydrogen 2.958 N/A CYS 114.A SG GLY 110.A O no hydrogen 3.417 N/A HIS 115.A N LEU 111.A O no hydrogen 2.725 N/A HIS 115.A NE2 ASP 181.A OD2 no hydrogen 2.861 N/A SER 116.A N ALA 112.A O no hydrogen 3.042 N/A SER 116.A OG ALA 112.A O no hydrogen 3.308 N/A SER 116.A OG PHE 113.A O no hydrogen 3.030 N/A HIS 117.A N CYS 114.A O no hydrogen 3.000 N/A ARG 118.A N HIS 115.A O no hydrogen 3.149 N/A ARG 118.A NH1 SER 116.A O no hydrogen 3.083 N/A VAL 119.A N CYS 114.A O no hydrogen 2.803 N/A HIS 121.A N ASP 181.A OD2 no hydrogen 2.816 N/A ARG 122.A N ASP 181.A OD1 no hydrogen 2.823 N/A LYS 125.A N ASN 128.A OD1 no hydrogen 3.081 N/A LYS 125.A NZ ASP 123.A OD2 no hydrogen 3.321 N/A ASN 128.A N LYS 125.A O no hydrogen 2.949 N/A ASN 128.A ND2 ASP 123.A O no hydrogen 2.775 N/A LEU 129.A N PRO 126.A O no hydrogen 3.305 N/A LEU 130.A N LYS 138.A O no hydrogen 2.929 N/A ILE 131.A N GLN 81.A O no hydrogen 2.794 N/A ASN 132.A N ALA 136.A O no hydrogen 3.305 N/A GLU 134.A N ASN 132.A OD1 no hydrogen 2.927 N/A GLY 135.A N ASN 132.A O no hydrogen 3.371 N/A ALA 136.A N ASN 132.A OD1 no hydrogen 2.997 N/A ILE 137.A N GLN 106.A OE1 no hydrogen 3.209 N/A LYS 138.A N LEU 130.A O no hydrogen 2.720 N/A LYS 138.A NZ GLU 77.A OE1 no hydrogen 3.256 N/A LYS 138.A NZ GLU 77.A OE2 no hydrogen 3.227 N/A LEU 139.A N ASN 58.A O no hydrogen 2.901 N/A ALA 140.A N ASN 128.A O no hydrogen 2.931 N/A GLY 143.A N HIS 121.A O no hydrogen 2.771 N/A TRP 163.A NE1 GLY 201.A O no hydrogen 2.913 N/A TYR 164.A OH GLU 191.A OE1 no hydrogen 2.644 N/A ARG 165.A N LEU 162.A O no hydrogen 3.112 N/A ARG 165.A NH1.A ASP 123.A OD1 no hydrogen 3.106 N/A GLU 168.A N GLU 168.A OE1 no hydrogen 2.694 N/A ILE 169.A N ALA 166.A O no hydrogen 3.092 N/A LEU 170.A N ALA 166.A O no hydrogen 3.252 N/A LEU 171.A N PRO 167.A O no hydrogen 2.842 N/A GLY 172.A N ILE 169.A O no hydrogen 3.097 N/A CYS 173.A N GLU 168.A O no hydrogen 2.944 N/A ALA 179.A N SER 177.A OG no hydrogen 3.138 N/A VAL 180.A N SER 177.A O no hydrogen 2.935 N/A ASP 181.A N THR 178.A O no hydrogen 3.073 N/A TRP 183.A N ALA 179.A O no hydrogen 3.132 N/A SER 184.A N VAL 180.A O no hydrogen 3.175 N/A SER 184.A OG TYR 164.A O no hydrogen 2.708 N/A SER 184.A OG VAL 180.A O no hydrogen 3.193 N/A LEU 185.A N ASP 181.A O no hydrogen 3.020 N/A GLY 186.A N ILE 182.A O no hydrogen 2.912 N/A CYS 187.A N TRP 183.A O no hydrogen 3.012 N/A CYS 187.A SG TRP 183.A O no hydrogen 3.567 N/A ILE 188.A N SER 184.A O no hydrogen 3.038 N/A PHE 189.A N LEU 185.A O no hydrogen 2.843 N/A ALA 190.A N GLY 186.A O no hydrogen 2.970 N/A GLU 191.A N CYS 187.A O no hydrogen 3.105 N/A MET 192.A N ILE 188.A O no hydrogen 2.859 N/A VAL 193.A N PHE 189.A O no hydrogen 3.187 N/A THR 194.A N ALA 190.A O no hydrogen 2.943 N/A THR 194.A OG1 ALA 190.A O no hydrogen 3.155 N/A ARG 195.A N GLU 191.A O no hydrogen 2.801 N/A ARG 195.A NE ALA 91.A O no hydrogen 3.397 N/A ARG 195.A NH2 ALA 91.A O no hydrogen 3.311 N/A GLY 201.A N PHE 199.A O no hydrogen 2.947 N/A GLY 201.A N GLN 207.A OE1 no hydrogen 2.878 N/A ASP 202.A N ASP 206.A OD2 no hydrogen 3.037 N/A ASP 206.A N SER 203.A OG no hydrogen 3.093 N/A GLN 207.A N SER 203.A O no hydrogen 2.784 N/A GLN 207.A NE2 PHE 199.A O no hydrogen 2.920 N/A LEU 208.A N GLU 204.A O no hydrogen 2.932 N/A PHE 209.A N ILE 205.A O no hydrogen 2.834 N/A ARG 210.A N ASP 206.A O no hydrogen 2.847 N/A ARG 210.A NE ASP 206.A OD2 no hydrogen 2.921 N/A ILE 211.A N GLN 207.A O no hydrogen 3.130 N/A PHE 212.A N LEU 208.A O no hydrogen 2.943 N/A ARG 213.A N PHE 209.A O no hydrogen 2.846 N/A THR 214.A N ILE 211.A O no hydrogen 3.122 N/A THR 214.A OG1 ARG 210.A O no hydrogen 3.432 N/A LEU 215.A N ILE 211.A O no hydrogen 2.880 N/A GLY 216.A N PHE 212.A O no hydrogen 2.708 N/A THR 217.A N TRP 239.A O no hydrogen 2.935 N/A THR 217.A OG1 PRO 237.A O no hydrogen 2.728 N/A VAL 222.A N ASP 219.A OD1 no hydrogen 3.045 N/A TRP 223.A N ASP 219.A O no hydrogen 2.892 N/A GLY 225.A N GLU 220.A OE1 no hydrogen 2.771 N/A VAL 226.A N TRP 223.A O no hydrogen 2.954 N/A THR 227.A N GLU 220.A OE2 no hydrogen 3.089 N/A THR 227.A OG1 GLU 220.A OE2 no hydrogen 2.742 N/A SER 228.A N GLY 225.A O no hydrogen 3.111 N/A MET 229.A N VAL 226.A O no hydrogen 3.243 N/A ASP 231.A N LEU 171.A O no hydrogen 2.914 N/A TYR 232.A N MET 229.A O no hydrogen 3.006 N/A PHE 236.A N LYS 233.A O no hydrogen 2.929 N/A LYS 238.A NZ PHE 236.A O no hydrogen 3.001 N/A TRP 239.A N THR 217.A OG1 no hydrogen 2.857 N/A ARG 241.A NH1 LEU 215.A O no hydrogen 3.085 N/A GLN 242.A N THR 214.A O no hydrogen 3.026 N/A SER 245.A OG ASP 243.A OD2 no hydrogen 2.340 N/A LYS 246.A N ASP 243.A O no hydrogen 3.271 N/A VAL 247.A N PHE 244.A O no hydrogen 3.001 N/A LEU 251.A N VAL 248.A O no hydrogen 2.912 N/A GLY 255.A N ASP 252.A OD1 no hydrogen 2.823 N/A ARG 256.A N ASP 252.A O no hydrogen 2.886 N/A ARG 256.A NH2 GLU 253.A OE2 no hydrogen 2.513 N/A SER 257.A N GLU 253.A O no hydrogen 2.834 N/A SER 257.A OG HIS 279.A NE2 no hydrogen 3.222 N/A LEU 258.A N ASP 254.A O no hydrogen 3.075 N/A LEU 259.A N GLY 255.A O no hydrogen 2.901 N/A SER 260.A N ARG 256.A O no hydrogen 2.869 N/A SER 260.A OG ARG 256.A O no hydrogen 3.480 N/A SER 260.A OG SER 257.A O no hydrogen 2.616 N/A GLN 261.A N SER 257.A O no hydrogen 3.177 N/A MET 262.A N LEU 258.A O no hydrogen 3.032 N/A LEU 263.A N LEU 259.A O no hydrogen 2.972 N/A LEU 263.A N SER 260.A O no hydrogen 3.328 N/A TYR 265.A OH GLY 216.A O no hydrogen 2.545 N/A ASN 268.A N ASP 266.A OD1 no hydrogen 2.917 N/A LYS 269.A N ASP 266.A O no hydrogen 2.740 N/A LYS 269.A NZ VAL 222.A O no hydrogen 2.884 N/A LYS 269.A NZ ASP 266.A OD2 no hydrogen 3.099 N/A ARG 270.A N ASP 266.A O no hydrogen 2.974 N/A ARG 270.A NE HIS 264.A O no hydrogen 2.814 N/A ARG 270.A NH1 GLU 168.A OE1 no hydrogen 3.477 N/A ARG 270.A NH1 GLU 168.A OE2 no hydrogen 2.860 N/A ARG 270.A NH1 ALA 179.A O no hydrogen 2.997 N/A ARG 270.A NH2 GLU 168.A OE1 no hydrogen 2.952 N/A ARG 270.A NH2 HIS 264.A O no hydrogen 3.079 N/A ARG 270.A NH2 TYR 265.A O no hydrogen 2.917 N/A ILE 271.A N GLN 261.A O no hydrogen 3.081 N/A ALA 275.A N SER 272.A OG no hydrogen 3.045 N/A ALA 276.A N SER 272.A O no hydrogen 2.848 N/A LEU 277.A N ALA 273.A O no hydrogen 3.055 N/A ALA 278.A N ALA 275.A O no hydrogen 3.023 N/A HIS 279.A N ALA 276.A O no hydrogen 2.993 N/A HIS 279.A NE2 SER 257.A OG no hydrogen 3.222 N/A PHE 281.A N HIS 279.A ND1 no hydrogen 2.961 N/A PHE 282.A N HIS 279.A O no hydrogen 2.987 N/A GLN 283.A N PRO 280.A O no hydrogen 3.135 N/A VAL 285.A N PHE 282.A O no hydrogen 3.111 N/A