Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k5u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 7.A OD2 no hydrogen 2.545 N/A ASP 7.A N ALA 4.A O no hydrogen 2.767 N/A PHE 8.A N LEU 5.A O no hydrogen 3.301 N/A GLU 9.A N ARG 26.A O no hydrogen 2.850 N/A GLY 11.A N LEU 24.A O no hydrogen 2.755 N/A LEU 14.A N VAL 22.A O no hydrogen 2.633 N/A GLY 15.A N VAL 22.A O no hydrogen 3.390 N/A GLY 17.A N GLY 20.A O no hydrogen 2.801 N/A VAL 22.A N GLY 15.A O no hydrogen 2.896 N/A TYR 23.A N LEU 36.A O no hydrogen 2.908 N/A LEU 24.A N ARG 12.A O no hydrogen 2.820 N/A ALA 25.A N LEU 34.A O no hydrogen 2.855 N/A ARG 26.A N GLU 9.A O no hydrogen 2.858 N/A ARG 26.A NH1 GLU 9.A OE1 no hydrogen 2.780 N/A GLU 27.A N PHE 32.A O no hydrogen 2.974 N/A LYS 28.A N ASP 7.A O no hydrogen 2.969 N/A LYS 28.A NZ GLU 6.A O no hydrogen 2.836 N/A GLN 29.A N GLU 27.A OE2 no hydrogen 3.188 N/A SER 30.A N GLU 27.A OE1 no hydrogen 2.762 N/A SER 30.A OG GLU 27.A OE1 no hydrogen 2.767 N/A LYS 31.A N GLU 27.A O no hydrogen 2.617 N/A PHE 32.A N SER 30.A OG no hydrogen 2.977 N/A LEU 34.A N ALA 25.A O no hydrogen 2.906 N/A ALA 35.A N LEU 85.A O no hydrogen 2.814 N/A LEU 36.A N TYR 23.A O no hydrogen 2.827 N/A LYS 37.A N LEU 83.A O no hydrogen 2.839 N/A VAL 38.A N ASN 21.A O no hydrogen 2.787 N/A LEU 39.A N VAL 81.A O no hydrogen 3.070 N/A PHE 40.A N PHE 19.A O no hydrogen 3.382 N/A LYS 41.A N THR 79.A O no hydrogen 2.889 N/A GLN 43.A NE2 LYS 18.A O no hydrogen 3.148 N/A LEU 44.A N PHE 40.A O no hydrogen 3.250 N/A GLU 45.A N LYS 41.A O no hydrogen 3.001 N/A LYS 46.A N ALA 42.A O no hydrogen 2.745 N/A ALA 47.A N GLN 43.A O no hydrogen 2.789 N/A GLY 48.A N GLU 45.A O no hydrogen 2.539 N/A VAL 49.A N LEU 44.A O no hydrogen 3.007 N/A GLU 50.A N LEU 44.A O no hydrogen 3.108 N/A LEU 53.A N VAL 49.A O no hydrogen 2.916 N/A ARG 54.A N GLU 50.A O no hydrogen 3.312 N/A ARG 55.A N HIS 51.A O no hydrogen 3.107 N/A GLU 56.A N GLN 52.A O no hydrogen 2.976 N/A VAL 57.A N LEU 53.A O no hydrogen 2.786 N/A GLU 58.A N ARG 54.A O no hydrogen 3.064 N/A ILE 59.A N ARG 55.A O no hydrogen 3.072 N/A GLN 60.A N GLU 56.A O no hydrogen 2.820 N/A GLN 60.A NE2 LEU 69.A O no hydrogen 2.592 N/A SER 61.A N VAL 57.A O no hydrogen 3.102 N/A SER 61.A OG GLU 58.A O no hydrogen 3.448 N/A SER 61.A OG HIS 62.A ND1 no hydrogen 2.652 N/A HIS 62.A N ILE 59.A O no hydrogen 3.016 N/A HIS 62.A ND1 SER 61.A OG no hydrogen 2.652 N/A LEU 63.A N GLN 60.A O no hydrogen 2.865 N/A ARG 64.A N TYR 121.A OH no hydrogen 2.908 N/A ARG 64.A NE LEU 63.A O no hydrogen 2.594 N/A ARG 64.A NH2 LEU 63.A O no hydrogen 3.155 N/A ASN 67.A N HIS 65.A ND1 no hydrogen 2.888 N/A ASN 67.A ND2 GLU 114.A OE2 no hydrogen 3.549 N/A ASN 67.A ND2 LEU 145.A O no hydrogen 3.033 N/A ILE 68.A N HIS 65.A O no hydrogen 2.924 N/A LEU 69.A N ILE 147.A O no hydrogen 3.091 N/A ARG 70.A N GLU 86.A OE1 no hydrogen 2.934 N/A TYR 72.A N ILE 84.A O no hydrogen 2.846 N/A PHE 75.A N TYR 82.A O no hydrogen 3.128 N/A HIS 76.A ND1 ASP 77.A O no hydrogen 3.238 N/A ASP 77.A N ARG 80.A O no hydrogen 2.789 N/A THR 79.A OG1 ASP 77.A OD1 no hydrogen 3.390 N/A ARG 80.A N ASP 77.A OD1 no hydrogen 2.490 N/A VAL 81.A N LEU 39.A O no hydrogen 2.840 N/A TYR 82.A N PHE 75.A O no hydrogen 2.757 N/A TYR 82.A OH ASP 77.A OD2 no hydrogen 3.040 N/A LEU 83.A N LYS 37.A O no hydrogen 2.866 N/A ILE 84.A N GLY 73.A O no hydrogen 2.938 N/A LEU 85.A N ALA 35.A O no hydrogen 2.784 N/A GLU 86.A N ARG 70.A O no hydrogen 3.058 N/A LEU 90.A N LEU 139.A O no hydrogen 2.901 N/A VAL 93.A N LEU 137.A O no hydrogen 2.575 N/A TYR 94.A N PRO 134.A O no hydrogen 3.065 N/A ARG 95.A N THR 92.A OG1 no hydrogen 2.965 N/A GLU 96.A N THR 92.A O no hydrogen 3.233 N/A LEU 97.A N VAL 93.A O no hydrogen 2.935 N/A GLN 98.A N TYR 94.A O no hydrogen 3.134 N/A LYS 99.A N ARG 95.A O no hydrogen 2.929 N/A LEU 100.A N GLU 96.A O no hydrogen 2.834 N/A SER 101.A N LEU 97.A O no hydrogen 2.576 N/A PHE 103.A N PHE 188.A O no hydrogen 2.671 N/A GLN 106.A NE2 ASN 252.A O no hydrogen 2.763 N/A ARG 107.A N ASP 104.A OD1 no hydrogen 2.722 N/A THR 108.A N ASP 104.A O no hydrogen 3.123 N/A THR 108.A OG1 ASP 104.A O no hydrogen 2.898 N/A ALA 109.A N GLU 105.A O no hydrogen 2.859 N/A THR 110.A N GLN 106.A O no hydrogen 3.152 N/A THR 110.A OG1 GLN 106.A O no hydrogen 2.403 N/A TYR 111.A N ARG 107.A O no hydrogen 2.935 N/A TYR 111.A OH GLU 96.A OE1 no hydrogen 2.541 N/A TYR 111.A OH GLU 96.A OE2 no hydrogen 3.319 N/A ILE 112.A N THR 108.A O no hydrogen 2.805 N/A THR 113.A N ALA 109.A O no hydrogen 2.848 N/A THR 113.A OG1 ALA 109.A O no hydrogen 2.883 N/A THR 113.A OG1 SER 253.A OG no hydrogen 2.727 N/A GLU 114.A N THR 110.A O no hydrogen 3.011 N/A LEU 115.A N TYR 111.A O no hydrogen 2.870 N/A ALA 116.A N ILE 112.A O no hydrogen 2.794 N/A ASN 117.A N THR 113.A O no hydrogen 2.947 N/A ALA 118.A N GLU 114.A O no hydrogen 3.049 N/A LEU 119.A N LEU 115.A O no hydrogen 2.758 N/A SER 120.A N ALA 116.A O no hydrogen 2.693 N/A SER 120.A OG ALA 116.A O no hydrogen 3.285 N/A TYR 121.A N ASN 117.A O no hydrogen 3.100 N/A CYS 122.A N ALA 118.A O no hydrogen 2.990 N/A CYS 122.A SG ALA 118.A O no hydrogen 3.407 N/A HIS 123.A N LEU 119.A O no hydrogen 2.645 N/A HIS 123.A NE2 ASP 177.A OD2 no hydrogen 2.957 N/A SER 124.A N SER 120.A O no hydrogen 2.877 N/A SER 124.A OG TYR 121.A O no hydrogen 2.924 N/A LYS 125.A N CYS 122.A O no hydrogen 2.763 N/A LYS 125.A NZ HIS 62.A O no hydrogen 3.269 N/A ARG 126.A N HIS 123.A O no hydrogen 2.974 N/A VAL 127.A N CYS 122.A O no hydrogen 2.839 N/A ILE 128.A N SER 153.A O no hydrogen 3.064 N/A HIS 129.A N ASP 177.A OD2 no hydrogen 3.225 N/A HIS 129.A ND1 ARG 130.A O no hydrogen 3.107 N/A HIS 129.A NE2 ASP 149.A O no hydrogen 3.104 N/A ARG 130.A N GLY 151.A O no hydrogen 2.463 N/A ASN 136.A N LYS 133.A O no hydrogen 2.828 N/A ASN 136.A ND2 ASP 149.A OD2 no hydrogen 3.061 N/A LEU 137.A N PRO 134.A O no hydrogen 3.170 N/A LEU 138.A N LYS 146.A O no hydrogen 2.816 N/A LEU 139.A N GLY 91.A O no hydrogen 2.811 N/A GLY 140.A N GLU 144.A O no hydrogen 2.956 N/A GLY 143.A N GLY 140.A O no hydrogen 2.904 N/A GLU 144.A N GLU 144.A OE1 no hydrogen 2.487 N/A LEU 145.A N GLU 114.A OE1 no hydrogen 3.248 N/A LYS 146.A N LEU 138.A O no hydrogen 2.634 N/A LYS 146.A NZ PRO 66.A O no hydrogen 3.197 N/A LYS 146.A NZ GLU 86.A OE2 no hydrogen 2.619 N/A ILE 147.A N ASN 67.A O no hydrogen 2.987 N/A ALA 148.A N ASN 136.A O no hydrogen 2.870 N/A TRP 152.A N PHE 150.A O no hydrogen 2.592 N/A TRP 152.A NE1 GLN 60.A OE1 no hydrogen 2.588 N/A CYS 156.A SG THR 158.A O no hydrogen 3.910 N/A TYR 161.A OH GLU 187.A OE1 no hydrogen 2.542 N/A TYR 161.A OH GLU 187.A OE2 no hydrogen 3.305 N/A LEU 162.A N LEU 159.A O no hydrogen 3.052 N/A GLU 165.A N GLU 165.A OE1 no hydrogen 2.996 N/A MET 166.A N PRO 163.A O no hydrogen 2.928 N/A ILE 167.A N PRO 163.A O no hydrogen 3.144 N/A ILE 167.A N PRO 164.A O no hydrogen 3.114 N/A GLU 168.A N PRO 164.A O no hydrogen 2.616 N/A ARG 170.A N GLU 165.A O no hydrogen 2.830 N/A LYS 175.A N ASP 173.A OD1 no hydrogen 2.918 N/A LYS 175.A NZ ARG 237.A O no hydrogen 2.410 N/A LYS 175.A NZ PRO 238.A O no hydrogen 3.131 N/A VAL 176.A N ASP 173.A O no hydrogen 2.968 N/A ASP 177.A N GLU 174.A O no hydrogen 3.245 N/A LEU 178.A N LYS 175.A O no hydrogen 2.921 N/A TRP 179.A N LYS 175.A O no hydrogen 3.210 N/A SER 180.A N VAL 176.A O no hydrogen 3.170 N/A SER 180.A OG VAL 176.A O no hydrogen 3.507 N/A LEU 181.A N ASP 177.A O no hydrogen 3.143 N/A GLY 182.A N LEU 178.A O no hydrogen 3.306 N/A VAL 183.A N TRP 179.A O no hydrogen 2.903 N/A LEU 184.A N SER 180.A O no hydrogen 2.937 N/A CYS 185.A N LEU 181.A O no hydrogen 2.711 N/A TYR 186.A N GLY 182.A O no hydrogen 3.055 N/A TYR 186.A OH THR 213.A O no hydrogen 2.737 N/A GLU 187.A N VAL 183.A O no hydrogen 2.898 N/A PHE 188.A N LEU 184.A O no hydrogen 2.809 N/A LEU 189.A N CYS 185.A O no hydrogen 3.356 N/A VAL 190.A N TYR 186.A O no hydrogen 2.833 N/A GLY 191.A N GLU 187.A O no hydrogen 2.608 N/A GLU 196.A N PRO 193.A O no hydrogen 3.298 N/A ASN 198.A N GLU 202.A OE1 no hydrogen 2.730 N/A GLN 201.A N GLN 201.A OE1 no hydrogen 2.690 N/A GLU 202.A N THR 199.A OG1 no hydrogen 2.980 N/A THR 203.A N THR 199.A O no hydrogen 2.830 N/A THR 203.A OG1 PHE 195.A O no hydrogen 3.560 N/A THR 203.A OG1 THR 199.A O no hydrogen 3.352 N/A TYR 204.A N TYR 200.A O no hydrogen 2.770 N/A LYS 205.A N GLN 201.A O no hydrogen 3.147 N/A ARG 206.A N GLU 202.A O no hydrogen 2.998 N/A ARG 206.A NH1 GLU 211.A O no hydrogen 2.799 N/A ARG 206.A NH2 GLU 196.A O no hydrogen 2.759 N/A ILE 207.A N THR 203.A O no hydrogen 3.039 N/A SER 208.A N TYR 204.A O no hydrogen 3.071 N/A SER 208.A OG GLU 168.A OE2 no hydrogen 2.807 N/A ARG 209.A N LYS 205.A O no hydrogen 3.037 N/A ARG 209.A NH1 GLU 211.A OE1 no hydrogen 3.389 N/A VAL 210.A N ILE 207.A O no hydrogen 2.929 N/A GLU 211.A N ARG 206.A O no hydrogen 2.850 N/A VAL 218.A N PRO 215.A O no hydrogen 3.103 N/A THR 219.A OG1 GLU 105.A OE2 no hydrogen 2.659 N/A ARG 223.A N THR 219.A O no hydrogen 2.825 N/A ARG 223.A NE VAL 218.A O no hydrogen 2.984 N/A ASP 224.A N GLU 220.A O no hydrogen 2.841 N/A LEU 225.A N GLY 221.A O no hydrogen 3.083 N/A ILE 226.A N ALA 222.A O no hydrogen 2.838 N/A SER 227.A N ARG 223.A O no hydrogen 2.846 N/A SER 227.A OG ARG 223.A O no hydrogen 2.937 N/A ARG 228.A N ASP 224.A O no hydrogen 3.189 N/A ARG 228.A NE ASP 224.A OD2 no hydrogen 2.459 N/A ARG 228.A NH2 ASP 224.A OD2 no hydrogen 3.112 N/A LEU 229.A N LEU 225.A O no hydrogen 3.175 N/A LEU 229.A N ILE 226.A O no hydrogen 3.069 N/A LEU 230.A N ILE 226.A O no hydrogen 2.876 N/A LYS 231.A N LEU 229.A O no hydrogen 2.980 N/A HIS 232.A NE2 GLU 168.A OE2 no hydrogen 2.953 N/A SER 235.A N ASN 233.A OD1 no hydrogen 3.193 N/A SER 235.A OG ASN 233.A OD1 no hydrogen 2.716 N/A GLN 236.A N ASN 233.A O no hydrogen 2.961 N/A ARG 237.A N PRO 234.A O no hydrogen 2.760 N/A ARG 237.A NE LYS 231.A O no hydrogen 3.002 N/A ARG 237.A NH1 GLU 165.A OE1 no hydrogen 3.354 N/A ARG 237.A NH1 GLU 165.A OE2 no hydrogen 2.597 N/A ARG 237.A NH1 LYS 175.A O no hydrogen 3.077 N/A ARG 237.A NH2 GLU 165.A OE1 no hydrogen 2.714 N/A ARG 237.A NH2 LYS 231.A O no hydrogen 2.747 N/A MET 239.A N GLU 242.A OE2 no hydrogen 2.851 N/A VAL 243.A N MET 239.A O no hydrogen 3.223 N/A LEU 244.A N LEU 240.A O no hydrogen 2.946 N/A GLU 245.A N ARG 241.A O no hydrogen 2.850 N/A HIS 246.A N VAL 243.A O no hydrogen 3.135 N/A HIS 246.A NE2 ASP 224.A OD2 no hydrogen 3.049 N/A TRP 248.A N HIS 246.A ND1 no hydrogen 2.973 N/A TRP 248.A NE1 GLU 105.A OE2 no hydrogen 2.534 N/A THR 250.A N HIS 246.A O no hydrogen 2.759 N/A THR 250.A OG1 HIS 246.A O no hydrogen 3.503 N/A THR 250.A OG1 PRO 247.A O no hydrogen 3.568 N/A ALA 251.A N PRO 247.A O no hydrogen 2.934 N/A ASN 252.A N ILE 249.A O no hydrogen 3.061 N/A ASN 252.A ND2 TRP 248.A O no hydrogen 2.488 N/A SER 253.A N ILE 249.A O no hydrogen 2.787 N/A SER 253.A OG THR 113.A OG1 no hydrogen 2.727 N/A SER 253.A OG LYS 255.A O no hydrogen 2.967 N/A SER 254.A N THR 110.A OG1 no hydrogen 3.257 N/A LYS 255.A N SER 253.A OG no hydrogen 3.274 N/A LYS 255.A NZ ASN 67.A OD1 no hydrogen 3.029 N/A LYS 255.A NZ ASN 117.A OD1 no hydrogen 3.218 N/A SER 257.A OG SER 257.A O no hydrogen 2.644 N/A ASN 258.A N PRO 256.A O no hydrogen 3.285 N/A