Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1jqe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N GLY 1.A O no hydrogen 3.448 N/A SER 6.A N LYS 2.A O no hydrogen 2.595 N/A PHE 7.A N TYR 3.A O no hydrogen 2.968 N/A ARG 8.A N VAL 4.A O no hydrogen 2.975 N/A ARG 8.A NH1 GLU 53.A OE1 no hydrogen 3.146 N/A ARG 8.A NH2 GLU 53.A OE1 no hydrogen 2.752 N/A ARG 9.A N GLU 5.A O no hydrogen 3.038 N/A ARG 9.A NH1 ASN 224.A OD1 no hydrogen 2.887 N/A PHE 10.A N SER 6.A O no hydrogen 3.052 N/A LEU 11.A N PHE 7.A O no hydrogen 2.861 N/A ASN 12.A N ARG 8.A O no hydrogen 2.866 N/A HIS 13.A N PHE 10.A O no hydrogen 2.948 N/A HIS 13.A ND1 ARG 9.A O no hydrogen 2.730 N/A SER 14.A N LEU 11.A O no hydrogen 3.278 N/A SER 14.A OG PHE 10.A O no hydrogen 2.854 N/A SER 14.A OG LEU 11.A O no hydrogen 3.475 N/A THR 15.A N THR 211.A O no hydrogen 2.943 N/A THR 15.A OG1 SER 210.A OG no hydrogen 3.043 N/A CYS 19.A N THR 15.A O no hydrogen 2.734 N/A CYS 19.A SG LEU 208.A O no hydrogen 3.844 N/A CYS 19.A SG LEU 209.A O no hydrogen 3.626 N/A MET 20.A N GLU 16.A O no hydrogen 2.949 N/A GLN 21.A N HIS 17.A O no hydrogen 2.830 N/A GLN 21.A NE2 GLN 21.A O no hydrogen 3.538 N/A GLN 21.A NE2 ASP 25.A OD1 no hydrogen 3.134 N/A GLN 21.A NE2 GLN 57.A OE1 no hydrogen 2.814 N/A GLU 22.A N GLN 18.A O no hydrogen 2.906 N/A PHE 23.A N CYS 19.A O no hydrogen 2.977 N/A MET 24.A N MET 20.A O no hydrogen 2.741 N/A ASP 25.A N GLN 21.A O no hydrogen 2.822 N/A LYS 26.A N GLU 22.A O no hydrogen 2.932 N/A LYS 27.A N PHE 23.A O no hydrogen 2.682 N/A LEU 28.A N PHE 23.A O no hydrogen 3.108 N/A ILE 31.A N LYS 27.A O no hydrogen 3.268 N/A ILE 32.A N LEU 28.A O no hydrogen 2.806 N/A GLY 33.A N GLY 30.A O no hydrogen 3.274 N/A GLY 36.A N TYR 66.A OH no hydrogen 3.014 N/A ASP 37.A N ARG 34.A O no hydrogen 3.130 N/A THR 38.A OG1 ASP 37.A O no hydrogen 2.450 N/A LYS 39.A N GLY 36.A O no hydrogen 2.985 N/A LYS 39.A NZ ILE 35.A O no hydrogen 2.806 N/A LYS 39.A NZ ASP 125.A OD1 no hydrogen 2.719 N/A LYS 39.A NZ THR 152.A O no hydrogen 2.718 N/A ILE 42.A N CYS 70.A O no hydrogen 2.910 N/A LYS 43.A N ASP 125.A OD2 no hydrogen 2.806 N/A LYS 43.A NZ GLN 122.A OE1 no hydrogen 2.834 N/A LYS 43.A NZ LYS 123.A O no hydrogen 2.763 N/A ILE 44.A N ASN 72.A O no hydrogen 2.712 N/A LEU 45.A N PHE 126.A O no hydrogen 2.794 N/A SER 46.A N GLU 74.A O no hydrogen 2.763 N/A SER 46.A OG ASP 55.A OD1 no hydrogen 2.562 N/A SER 46.A OG ASP 55.A OD2 no hydrogen 3.395 N/A ILE 47.A N HIS 128.A O no hydrogen 2.881 N/A GLY 48.A N VAL 76.A O no hydrogen 2.684 N/A GLY 50.A N GLU 77.A OE1 no hydrogen 2.830 N/A GLY 52.A N GLY 49.A O no hydrogen 3.133 N/A GLU 53.A N GLU 53.A OE2 no hydrogen 2.839 N/A LEU 56.A N GLY 52.A O no hydrogen 2.935 N/A GLN 57.A N GLU 53.A O no hydrogen 3.305 N/A ILE 58.A N ILE 54.A O no hydrogen 2.944 N/A LEU 59.A N ASP 55.A O no hydrogen 2.888 N/A SER 60.A N LEU 56.A O no hydrogen 2.989 N/A SER 60.A OG GLN 57.A O no hydrogen 2.652 N/A LYS 61.A N GLN 57.A O no hydrogen 3.279 N/A LYS 61.A NZ ASP 25.A OD1 no hydrogen 2.837 N/A VAL 62.A N ILE 58.A O no hydrogen 3.089 N/A GLN 63.A N LEU 59.A O no hydrogen 2.809 N/A GLN 63.A NE2 ASN 95.A O no hydrogen 3.015 N/A ALA 64.A N SER 60.A O no hydrogen 2.945 N/A GLN 65.A N LYS 61.A O no hydrogen 3.068 N/A TYR 66.A N VAL 62.A O no hydrogen 2.891 N/A TYR 66.A OH ASP 37.A OD1 no hydrogen 2.729 N/A VAL 69.A N TYR 66.A O no hydrogen 3.158 N/A ILE 71.A N ASN 98.A O no hydrogen 2.600 N/A ASN 72.A N ILE 42.A O no hydrogen 2.786 N/A ASN 72.A ND2 GLU 74.A OE2 no hydrogen 2.951 N/A ASN 73.A N LYS 100.A O no hydrogen 2.843 N/A GLU 74.A N ILE 44.A O no hydrogen 2.836 N/A VAL 75.A N ALA 102.A O no hydrogen 2.801 N/A VAL 76.A N SER 46.A O no hydrogen 2.769 N/A GLU 77.A N HIS 104.A O no hydrogen 3.035 N/A SER 79.A N GLU 77.A OE2 no hydrogen 2.977 N/A GLN 82.A N SER 79.A OG no hydrogen 3.036 N/A ILE 83.A N SER 79.A O no hydrogen 2.979 N/A ALA 84.A N ALA 80.A O no hydrogen 2.872 N/A LYS 85.A N GLU 81.A O no hydrogen 3.148 N/A TYR 86.A N GLN 82.A O no hydrogen 2.848 N/A TYR 86.A OH ASP 55.A OD1 no hydrogen 2.738 N/A LYS 87.A N ILE 83.A O no hydrogen 2.823 N/A GLU 88.A N ALA 84.A O no hydrogen 2.953 N/A LEU 89.A N LYS 85.A O no hydrogen 2.928 N/A VAL 90.A N TYR 86.A O no hydrogen 3.023 N/A ALA 91.A N LYS 87.A O no hydrogen 2.967 N/A LYS 92.A N LEU 89.A O no hydrogen 2.838 N/A ILE 93.A N VAL 90.A O no hydrogen 3.000 N/A ASN 98.A N GLN 63.A OE1 no hydrogen 3.102 N/A VAL 99.A N LEU 96.A O no hydrogen 3.421 N/A LYS 100.A N ILE 71.A O no hydrogen 2.703 N/A ALA 102.A N ASN 73.A O no hydrogen 3.139 N/A HIS 104.A N VAL 75.A O no hydrogen 2.811 N/A HIS 104.A NE2 GLU 74.A OE1 no hydrogen 2.580 N/A THR 107.A N GLU 110.A OE2 no hydrogen 2.953 N/A GLU 110.A N THR 107.A OG1 no hydrogen 3.219 N/A TYR 111.A N THR 107.A O no hydrogen 3.014 N/A GLN 112.A N SER 108.A O no hydrogen 2.805 N/A SER 113.A N SER 109.A O no hydrogen 2.839 N/A SER 113.A OG SER 109.A O no hydrogen 2.989 N/A ARG 114.A N GLU 110.A O no hydrogen 2.985 N/A ARG 114.A NH1 GLU 106.A OE1 no hydrogen 3.552 N/A MET 115.A N TYR 111.A O no hydrogen 2.935 N/A LEU 116.A N GLN 112.A O no hydrogen 3.108 N/A GLU 117.A N ARG 114.A O no hydrogen 2.578 N/A LYS 118.A NZ ARG 114.A O no hydrogen 3.505 N/A LYS 123.A NZ SER 148.A O no hydrogen 2.627 N/A TRP 124.A N LEU 149.A O no hydrogen 2.701 N/A ASP 125.A N LYS 43.A O no hydrogen 2.878 N/A PHE 126.A N LYS 43.A O no hydrogen 3.230 N/A ILE 127.A N LYS 155.A O no hydrogen 3.040 N/A HIS 128.A N LEU 45.A O no hydrogen 3.004 N/A MET 129.A N LEU 157.A O no hydrogen 2.864 N/A GLN 131.A N ILE 159.A O no hydrogen 2.817 N/A GLN 131.A NE2 GLU 16.A OE1 no hydrogen 3.143 N/A GLN 131.A NE2 GLU 16.A OE2 no hydrogen 2.857 N/A TYR 134.A OH GLN 131.A OE1 no hydrogen 2.514 N/A TYR 135.A N MET 132.A O no hydrogen 2.981 N/A VAL 136.A N LEU 133.A O no hydrogen 3.170 N/A ALA 141.A N ASP 138.A OD1 no hydrogen 3.033 N/A THR 142.A N ASP 138.A O no hydrogen 2.978 N/A THR 142.A OG1 ASP 138.A O no hydrogen 2.784 N/A LEU 143.A N ILE 139.A O no hydrogen 2.738 N/A LYS 144.A N PRO 140.A O no hydrogen 2.932 N/A PHE 145.A N ALA 141.A O no hydrogen 2.877 N/A PHE 146.A N THR 142.A O no hydrogen 3.025 N/A HIS 147.A N LEU 143.A O no hydrogen 3.012 N/A HIS 147.A NE2 ALA 280.A OXT no hydrogen 2.925 N/A SER 148.A N LYS 144.A O no hydrogen 3.059 N/A SER 148.A OG PHE 145.A O no hydrogen 2.480 N/A LEU 149.A N PHE 146.A O no hydrogen 3.011 N/A LEU 150.A N HIS 147.A O no hydrogen 3.147 N/A GLY 151.A N TRP 124.A O no hydrogen 2.777 N/A ALA 154.A N GLY 151.A O no hydrogen 3.171 N/A LYS 155.A N ASP 125.A O no hydrogen 3.312 N/A LYS 155.A NZ GLU 279.A OE1 no hydrogen 2.417 N/A LYS 155.A NZ GLU 279.A OE2 no hydrogen 2.712 N/A MET 156.A N ILE 278.A O no hydrogen 2.988 N/A LEU 157.A N ILE 127.A O no hydrogen 2.734 N/A ILE 158.A N ILE 276.A O no hydrogen 2.840 N/A ILE 159.A N MET 129.A O no hydrogen 3.121 N/A VAL 160.A N SER 274.A O no hydrogen 3.325 N/A VAL 161.A N TYR 134.A OH no hydrogen 2.878 N/A SER 162.A N THR 272.A O no hydrogen 2.832 N/A SER 162.A OG SER 164.A OG no hydrogen 3.100 N/A SER 162.A OG ASP 207.A OD2 no hydrogen 2.497 N/A GLY 163.A N SER 189.A OG no hydrogen 3.127 N/A SER 164.A N SER 162.A OG no hydrogen 3.066 N/A SER 164.A OG SER 162.A OG no hydrogen 3.100 N/A SER 165.A N SER 162.A O no hydrogen 2.858 N/A SER 165.A OG SER 162.A O no hydrogen 2.664 N/A GLY 166.A N ASN 270.A O no hydrogen 2.730 N/A TRP 167.A NE1 ASN 271.A OD1 no hydrogen 2.848 N/A LYS 169.A NZ GLY 163.A O no hydrogen 3.379 N/A LYS 169.A NZ SER 165.A O no hydrogen 3.453 N/A LYS 169.A NZ ASP 168.A OD1 no hydrogen 2.992 N/A LEU 170.A N GLY 166.A O no hydrogen 2.896 N/A TRP 171.A N TRP 167.A O no hydrogen 2.839 N/A LYS 172.A N ASP 168.A O no hydrogen 3.125 N/A LYS 172.A NZ ASP 168.A OD1 no hydrogen 3.213 N/A LYS 173.A N LYS 169.A O no hydrogen 3.198 N/A LYS 173.A NZ ASP 253.A OD1 no hydrogen 3.406 N/A LYS 173.A NZ ASP 253.A OD2 no hydrogen 2.680 N/A TYR 174.A N LEU 170.A O no hydrogen 2.804 N/A TYR 174.A OH GLU 249.A OE2 no hydrogen 3.295 N/A TYR 174.A OH ASP 253.A OD2 no hydrogen 2.304 N/A GLY 175.A N TRP 171.A O no hydrogen 2.673 N/A ARG 177.A N TYR 174.A O no hydrogen 2.753 N/A ARG 177.A NH1 GLU 249.A OE2 no hydrogen 2.877 N/A PHE 178.A N TYR 174.A O no hydrogen 3.225 N/A PHE 178.A N GLY 175.A O no hydrogen 2.987 N/A LEU 183.A N ASP 181.A OD1 no hydrogen 2.834 N/A CYS 184.A N ASP 181.A O no hydrogen 3.073 N/A CYS 184.A SG GLU 234.A OE1 no hydrogen 3.097 N/A GLN 185.A N TYR 134.A O no hydrogen 2.700 N/A GLN 185.A NE2 VAL 136.A O no hydrogen 2.750 N/A THR 188.A N ASP 191.A OD2 no hydrogen 2.889 N/A SER 189.A N VAL 161.A O no hydrogen 2.964 N/A SER 189.A OG SER 274.A OG no hydrogen 2.995 N/A ASP 190.A N THR 188.A OG1 no hydrogen 3.133 N/A ASP 191.A N THR 188.A O no hydrogen 3.080 N/A LEU 192.A N THR 188.A O no hydrogen 3.185 N/A THR 193.A N SER 189.A O no hydrogen 2.783 N/A THR 193.A OG1 SER 189.A O no hydrogen 3.104 N/A THR 193.A OG1 ASP 190.A O no hydrogen 3.172 N/A GLN 194.A N ASP 190.A O no hydrogen 3.238 N/A MET 195.A N ASP 191.A O no hydrogen 3.057 N/A LEU 196.A N LEU 192.A O no hydrogen 2.868 N/A ASP 197.A N THR 193.A O no hydrogen 2.786 N/A ASN 198.A N GLN 194.A O no hydrogen 2.952 N/A LEU 199.A N MET 195.A O no hydrogen 2.856 N/A GLY 200.A N ASP 197.A O no hydrogen 3.056 N/A LEU 201.A N LEU 196.A O no hydrogen 3.074 N/A TYR 203.A OH ASP 197.A OD1 no hydrogen 2.768 N/A TYR 203.A OH ASP 197.A OD2 no hydrogen 3.374 N/A GLU 204.A N VAL 277.A O no hydrogen 2.905 N/A CYS 205.A SG ASP 207.A OD1 no hydrogen 3.860 N/A TYR 206.A N PHE 275.A O no hydrogen 2.792 N/A LEU 208.A N LEU 273.A O no hydrogen 2.852 N/A SER 210.A OG THR 15.A OG1 no hydrogen 3.043 N/A THR 211.A N THR 15.A OG1 no hydrogen 3.087 N/A MET 212.A N PHE 269.A O no hydrogen 2.990 N/A ASP 213.A N HIS 13.A O no hydrogen 2.685 N/A ILE 214.A N VAL 267.A O no hydrogen 3.002 N/A SER 215.A N ASP 213.A OD2 no hydrogen 3.069 N/A SER 215.A OG ASP 213.A OD2 no hydrogen 2.527 N/A CYS 217.A N ILE 214.A O no hydrogen 3.027 N/A CYS 217.A SG GLY 225.A O no hydrogen 3.600 N/A PHE 218.A N SER 215.A O no hydrogen 3.162 N/A ILE 219.A N ASP 216.A O no hydrogen 3.064 N/A ASN 222.A N ILE 219.A O no hydrogen 2.989 N/A ASN 224.A ND2 ASP 216.A OD2 no hydrogen 2.755 N/A GLY 225.A N ASN 222.A OD1 no hydrogen 2.644 N/A ASP 226.A N ASN 222.A O no hydrogen 2.807 N/A LEU 227.A N GLU 223.A O no hydrogen 3.022 N/A LEU 228.A N ASN 224.A O no hydrogen 2.915 N/A TRP 229.A N GLY 225.A O no hydrogen 3.092 N/A TRP 229.A NE1 CYS 217.A O no hydrogen 2.680 N/A ASP 230.A N ASP 226.A O no hydrogen 3.126 N/A PHE 231.A N LEU 227.A O no hydrogen 3.100 N/A LEU 232.A N LEU 228.A O no hydrogen 2.836 N/A THR 233.A N TRP 229.A O no hydrogen 2.891 N/A THR 233.A OG1 TRP 229.A O no hydrogen 2.827 N/A GLU 234.A N PHE 231.A O no hydrogen 3.241 N/A THR 235.A N ASP 230.A O no hydrogen 3.055 N/A THR 235.A OG1 THR 233.A O no hydrogen 2.904 N/A ASN 237.A N ASP 230.A OD1 no hydrogen 2.887 N/A PHE 238.A N ASP 230.A OD2 no hydrogen 2.759 N/A ALA 240.A N ASN 237.A O no hydrogen 3.214 N/A THR 241.A N PHE 238.A O no hydrogen 3.030 N/A ALA 242.A N PHE 238.A O no hydrogen 2.661 N/A ARG 247.A N PRO 243.A O no hydrogen 3.045 N/A ARG 247.A NE ASN 239.A OD1 no hydrogen 2.716 N/A ALA 248.A N PRO 244.A O no hydrogen 3.095 N/A GLU 249.A N ASP 245.A O no hydrogen 2.831 N/A LEU 250.A N LEU 246.A O no hydrogen 2.846 N/A GLY 251.A N ARG 247.A O no hydrogen 2.934 N/A LYS 252.A N ALA 248.A O no hydrogen 3.258 N/A LYS 252.A N GLU 249.A O no hydrogen 3.000 N/A ASP 253.A N GLU 249.A O no hydrogen 2.995 N/A LEU 254.A N LEU 250.A O no hydrogen 2.843 N/A GLN 255.A N LYS 252.A O no hydrogen 3.117 N/A GLU 256.A N ASP 253.A O no hydrogen 2.721 N/A PHE 259.A N GLU 256.A O no hydrogen 2.909 N/A SER 260.A N GLU 256.A O no hydrogen 2.786 N/A SER 260.A OG LEU 254.A O no hydrogen 2.973 N/A ALA 261.A N LEU 268.A O no hydrogen 2.933 N/A LYS 263.A N LYS 266.A O no hydrogen 3.018 N/A LYS 266.A N LYS 263.A O no hydrogen 2.993 N/A VAL 267.A N SER 215.A OG no hydrogen 3.171 N/A LEU 268.A N ALA 261.A O no hydrogen 2.790 N/A PHE 269.A N MET 212.A O no hydrogen 2.905 N/A ASN 270.A N PHE 259.A O no hydrogen 2.736 N/A ASN 271.A N SER 210.A O no hydrogen 2.679 N/A ASN 271.A ND2 GLU 16.A OE1 no hydrogen 2.994 N/A ASN 271.A ND2 SER 210.A OG no hydrogen 3.111 N/A THR 272.A N ASN 270.A OD1 no hydrogen 2.897 N/A THR 272.A OG1 ASN 270.A OD1 no hydrogen 2.612 N/A LEU 273.A N LEU 208.A O no hydrogen 2.874 N/A SER 274.A N VAL 160.A O no hydrogen 2.841 N/A SER 274.A OG ASP 207.A OD1 no hydrogen 2.628 N/A PHE 275.A N TYR 206.A O no hydrogen 2.637 N/A ILE 276.A N ILE 158.A O no hydrogen 2.823 N/A VAL 277.A N GLU 204.A O no hydrogen 2.811 N/A ILE 278.A N MET 156.A O no hydrogen 2.712 N/A GLU 279.A N LYS 202.A O no hydrogen 2.986 N/A