Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5jwe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N LEU 103.A O no hydrogen 2.921 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.633 N/A SER 4.A N ASP 29.A OD1 no hydrogen 2.815 N/A MET 5.A N CYS 101.A O no hydrogen 2.892 N/A ARG 6.A N TYR 27.A O no hydrogen 2.918 N/A ARG 6.A NH1 MET 5.A O no hydrogen 3.070 N/A ARG 6.A NH1 CYS 101.A O no hydrogen 3.523 N/A ARG 6.A NH1 ASP 102.A OD1 no hydrogen 3.239 N/A ARG 6.A NH2 ASP 102.A OD1 no hydrogen 3.048 N/A ARG 6.A NH2 ASP 102.A OD2 no hydrogen 3.240 N/A TYR 7.A N SER 99.A O no hydrogen 2.857 N/A PHE 8.A N VAL 25.A O no hydrogen 2.841 N/A GLU 9.A N GLN 97.A O no hydrogen 2.872 N/A THR 10.A N ILE 23.A O no hydrogen 2.875 N/A ALA 11.A N LEU 95.A O no hydrogen 2.900 N/A VAL 12.A N ARG 21.A O no hydrogen 2.884 N/A SER 13.A N HIS 93.A O no hydrogen 3.042 N/A ARG 21.A N VAL 12.A O no hydrogen 2.758 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 3.128 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 2.433 N/A TYR 22.A N SER 38.A OG no hydrogen 2.937 N/A TYR 22.A OH GLU 9.A OE2 no hydrogen 2.480 N/A ILE 23.A N THR 10.A O no hydrogen 2.895 N/A SER 24.A N PHE 36.A O no hydrogen 2.749 N/A SER 24.A OG TYR 45.A OH no hydrogen 2.766 N/A VAL 25.A N PHE 8.A O no hydrogen 2.872 N/A GLY 26.A N VAL 34.A O no hydrogen 2.962 N/A TYR 27.A N ARG 6.A O no hydrogen 2.741 N/A VAL 28.A N LYS 31.A O no hydrogen 2.863 N/A ASP 29.A N SER 4.A O no hydrogen 2.844 N/A LYS 31.A N VAL 28.A O no hydrogen 2.896 N/A PHE 33.A N GLY 26.A O no hydrogen 2.947 N/A ARG 35.A N GLU 46.A O no hydrogen 3.051 N/A ARG 35.A NE GLU 32.A OE2 no hydrogen 2.644 N/A ARG 35.A NH1 GLU 32.A OE1 no hydrogen 2.971 N/A ARG 35.A NH1 GLU 32.A OE2 no hydrogen 2.986 N/A PHE 36.A N SER 24.A O no hydrogen 2.857 N/A SER 38.A N TYR 22.A O no hydrogen 2.877 N/A SER 38.A OG TYR 22.A O no hydrogen 3.349 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.668 N/A ALA 40.A N ASP 37.A O no hydrogen 3.225 N/A TYR 45.A N THR 64.A OG1 no hydrogen 3.123 N/A TYR 45.A OH SER 24.A OG no hydrogen 2.766 N/A GLU 46.A N ARG 35.A O no hydrogen 2.870 N/A ARG 48.A N PHE 33.A O no hydrogen 2.720 N/A ARG 48.A NH1 GLU 46.A OE2 no hydrogen 2.577 N/A MET 52.A N ALA 49.A O no hydrogen 3.098 N/A GLU 53.A N PRO 50.A O no hydrogen 2.907 N/A GLN 54.A N TRP 51.A O no hydrogen 3.109 N/A GLU 55.A N MET 52.A O no hydrogen 2.880 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.644 N/A TRP 60.A N GLY 56.A O no hydrogen 3.428 N/A GLU 61.A N PRO 57.A O no hydrogen 2.964 N/A ARG 62.A N GLU 58.A O no hydrogen 2.882 N/A GLU 63.A N TYR 59.A O no hydrogen 2.918 N/A THR 64.A N TRP 60.A O no hydrogen 2.929 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.746 N/A GLN 65.A N GLU 61.A O no hydrogen 3.001 N/A LYS 66.A N ARG 62.A O no hydrogen 2.982 N/A LYS 66.A NZ GLU 63.A OE2 no hydrogen 2.969 N/A ALA 67.A N GLU 63.A O no hydrogen 2.929 N/A LYS 68.A N THR 64.A O no hydrogen 2.987 N/A LYS 68.A NZ PRO 43.A O no hydrogen 3.476 N/A GLY 69.A N GLN 65.A O no hydrogen 3.007 N/A GLN 70.A N LYS 66.A O no hydrogen 2.881 N/A GLN 70.A NE2 GLU 9.A OE1 no hydrogen 3.110 N/A GLN 70.A NE2 GLU 9.A OE2 no hydrogen 2.978 N/A GLU 71.A N ALA 67.A O no hydrogen 2.839 N/A GLN 72.A N LYS 68.A O no hydrogen 3.041 N/A TRP 73.A N GLY 69.A O no hydrogen 2.952 N/A PHE 74.A N GLN 70.A O no hydrogen 2.789 N/A ARG 75.A N GLU 71.A O no hydrogen 3.073 N/A VAL 76.A N GLN 72.A O no hydrogen 3.057 N/A SER 77.A N TRP 73.A O no hydrogen 2.988 N/A SER 77.A OG TRP 73.A O no hydrogen 3.040 N/A LEU 78.A N PHE 74.A O no hydrogen 2.843 N/A ARG 79.A N ARG 75.A O no hydrogen 3.085 N/A ASN 80.A N VAL 76.A O no hydrogen 2.977 N/A LEU 81.A N SER 77.A O no hydrogen 2.910 N/A LEU 82.A N LEU 78.A O no hydrogen 3.040 N/A GLY 83.A N ARG 79.A O no hydrogen 3.142 N/A TYR 84.A N ASN 80.A O no hydrogen 2.870 N/A TYR 85.A N LEU 81.A O no hydrogen 3.078 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.816 N/A ASN 86.A N GLY 83.A O no hydrogen 3.106 N/A GLN 87.A N LEU 82.A O no hydrogen 3.215 N/A GLN 87.A NE2 GLU 119.A OE2 no hydrogen 2.857 N/A HIS 93.A ND1 GLU 119.A OE2 no hydrogen 2.885 N/A THR 94.A N GLU 119.A OE1 no hydrogen 3.135 N/A LEU 95.A N ALA 11.A O no hydrogen 2.979 N/A GLN 96.A N ALA 117.A O no hydrogen 2.906 N/A GLN 97.A N GLU 9.A O no hydrogen 2.862 N/A MET 98.A N GLN 115.A O no hydrogen 2.938 N/A SER 99.A N TYR 7.A O no hydrogen 3.045 N/A GLY 100.A N TYR 113.A O no hydrogen 2.995 N/A CYS 101.A N MET 5.A O no hydrogen 2.963 N/A ASP 102.A N ARG 111.A O no hydrogen 2.793 N/A LEU 103.A N HIS 3.A O no hydrogen 2.809 N/A GLY 104.A N ARG 108.A O no hydrogen 2.948 N/A TRP 107.A N GLY 104.A O no hydrogen 2.890 N/A ARG 108.A N ASP 106.A OD1 no hydrogen 3.249 N/A LEU 110.A N ASP 102.A O no hydrogen 2.628 N/A ARG 111.A N ASP 102.A O no hydrogen 3.023 N/A ARG 111.A NH1 TYR 113.A OH no hydrogen 3.058 N/A TYR 113.A N GLY 100.A O no hydrogen 2.939 N/A TYR 113.A OH ASP 102.A OD2 no hydrogen 3.071 N/A GLN 115.A N MET 98.A O no hydrogen 2.908 N/A PHE 116.A N ILE 124.A O no hydrogen 2.799 N/A ALA 117.A N GLN 96.A O no hydrogen 2.892 N/A TYR 118.A N ARG 121.A O no hydrogen 2.836 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.562 N/A GLU 119.A N THR 94.A O no hydrogen 2.846 N/A ARG 121.A N TYR 118.A O no hydrogen 2.971 N/A TYR 123.A N PHE 116.A O no hydrogen 2.715 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.549 N/A ILE 124.A N PHE 116.A O no hydrogen 3.108 N/A ALA 125.A N THR 134.A O no hydrogen 3.026 N/A LEU 126.A N LEU 114.A O no hydrogen 2.951 N/A ASN 127.A N THR 132.A O no hydrogen 2.579 N/A ASN 127.A ND2 THR 132.A OG1 no hydrogen 2.716 N/A LEU 130.A N ASN 127.A O no hydrogen 2.489 N/A LYS 131.A N ASP 129.A OD1 no hydrogen 2.488 N/A THR 132.A N ASP 129.A OD1 no hydrogen 2.789 N/A THR 132.A OG1 ASP 129.A OD1 no hydrogen 3.259 N/A THR 132.A OG1 ASP 129.A OD2 no hydrogen 2.708 N/A THR 134.A N ALA 125.A O no hydrogen 2.937 N/A ALA 136.A N TYR 123.A O no hydrogen 3.317 N/A GLN 141.A N MET 138.A O no hydrogen 3.087 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.549 N/A ARG 144.A N ALA 140.A O no hydrogen 2.842 N/A ARG 145.A N GLN 141.A O no hydrogen 2.858 N/A LYS 146.A N ILE 142.A O no hydrogen 2.972 N/A TRP 147.A N THR 143.A O no hydrogen 2.869 N/A GLU 148.A N ARG 144.A O no hydrogen 2.886 N/A GLN 149.A N ARG 145.A O no hydrogen 3.228 N/A SER 150.A N LYS 146.A O no hydrogen 3.136 N/A SER 150.A OG LYS 146.A O no hydrogen 3.228 N/A ALA 152.A N TRP 147.A O no hydrogen 3.162 N/A HIS 155.A N GLY 151.A O no hydrogen 3.452 N/A TYR 156.A N ALA 152.A O no hydrogen 2.983 N/A LYS 157.A N ALA 153.A O no hydrogen 2.910 N/A ALA 158.A N GLU 154.A O no hydrogen 2.972 N/A TYR 159.A N HIS 155.A O no hydrogen 3.124 N/A LEU 160.A N TYR 156.A O no hydrogen 2.791 N/A GLU 161.A N LYS 157.A O no hydrogen 2.925 N/A GLY 162.A N ALA 158.A O no hydrogen 2.993 N/A CYS 164.A N TYR 159.A O no hydrogen 3.036 N/A GLU 166.A N GLY 162.A O no hydrogen 3.088 N/A TRP 167.A N GLU 163.A O no hydrogen 2.866 N/A LEU 168.A N CYS 164.A O no hydrogen 2.870 N/A HIS 169.A N VAL 165.A O no hydrogen 2.873 N/A HIS 169.A NE2 TRP 107.A O no hydrogen 2.859 N/A ARG 170.A N GLU 166.A O no hydrogen 3.074 N/A ARG 170.A NE GLU 55.A OE2 no hydrogen 2.893 N/A ARG 170.A NH2 GLU 55.A OE1 no hydrogen 2.650 N/A ARG 170.A NH2 GLU 55.A OE2 no hydrogen 3.265 N/A TYR 171.A N TRP 167.A O no hydrogen 2.890 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.644 N/A LEU 172.A N LEU 168.A O no hydrogen 2.830 N/A LYS 173.A N HIS 169.A O no hydrogen 2.945 N/A ASN 174.A N ARG 170.A O no hydrogen 2.945 N/A GLY 175.A N TYR 171.A O no hydrogen 2.779 N/A ASN 176.A ND2 LYS 173.A O no hydrogen 2.843 N/A ALA 177.A N ASN 176.A OD1 no hydrogen 2.604 N/A LEU 179.A N GLY 175.A O no hydrogen 2.870 N/A LEU 180.A N ALA 177.A O no hydrogen 2.781 N/A ARG 181.A N THR 178.A O no hydrogen 3.426 N/A ARG 181.A NH1 ASP 183.A OD2 no hydrogen 2.618 N/A ARG 181.A NH1 GLY 239.A O no hydrogen 3.248 N/A ARG 181.A NH2 GLY 239.A O no hydrogen 3.338 N/A ASP 183.A N TYR 209.A O no hydrogen 2.757 N/A SER 184.A OG GLY 265.A O no hydrogen 2.979 N/A LYS 186.A N LEU 206.A O no hydrogen 2.888 N/A HIS 188.A N TRP 204.A O no hydrogen 2.993 N/A THR 190.A N ARG 202.A O no hydrogen 2.862 N/A THR 190.A OG1 HIS 192.A NE2 no hydrogen 2.496 N/A HIS 192.A N THR 200.A O no hydrogen 2.894 N/A HIS 192.A NE2 THR 190.A OG1 no hydrogen 2.496 N/A ARG 194.A N GLU 198.A O no hydrogen 2.899 N/A VAL 199.A N VAL 249.A O no hydrogen 2.871 N/A THR 200.A N HIS 192.A O no hydrogen 2.819 N/A LEU 201.A N VAL 247.A O no hydrogen 2.917 N/A ARG 202.A N THR 190.A O no hydrogen 2.957 N/A ARG 202.A NE HIS 192.A NE2 no hydrogen 3.665 N/A CYS 203.A N ALA 245.A O no hydrogen 2.818 N/A TRP 204.A N HIS 188.A O no hydrogen 2.908 N/A ALA 205.A N LYS 243.A O no hydrogen 2.922 N/A LEU 206.A N LYS 186.A O no hydrogen 2.909 N/A PHE 208.A N PHE 241.A O no hydrogen 3.456 N/A TYR 209.A N ASP 183.A O no hydrogen 2.884 N/A THR 214.A N TYR 262.A O no hydrogen 2.917 N/A THR 216.A N ARG 260.A O no hydrogen 2.910 N/A THR 216.A OG1 GLN 218.A OE1 no hydrogen 3.390 N/A TRP 217.A NE1 ALA 245.A O no hydrogen 2.790 N/A GLN 218.A N THR 258.A O no hydrogen 2.814 N/A LEU 219.A N GLU 222.A O no hydrogen 3.027 N/A GLU 222.A N LEU 219.A O no hydrogen 3.129 N/A LEU 224.A N TRP 217.A O no hydrogen 2.766 N/A MET 228.A N THR 225.A O no hydrogen 3.523 N/A GLU 229.A N SER 246.A O no hydrogen 2.848 N/A VAL 231.A N TRP 244.A O no hydrogen 3.306 N/A ARG 234.A N GLN 242.A O no hydrogen 3.090 N/A ARG 234.A NE GLN 242.A OE1 no hydrogen 2.870 N/A ARG 234.A NH2 GLN 242.A OE1 no hydrogen 3.449 N/A ALA 236.A N THR 240.A O no hydrogen 2.890 N/A THR 240.A N ASP 238.A OD1 no hydrogen 2.784 N/A THR 240.A OG1 ASP 238.A OD1 no hydrogen 2.620 N/A THR 240.A OG1 ASP 238.A OD2 no hydrogen 3.428 N/A PHE 241.A N PHE 208.A O no hydrogen 2.791 N/A GLN 242.A N ARG 234.A O no hydrogen 2.946 N/A LYS 243.A N ALA 205.A O no hydrogen 2.930 N/A LYS 243.A NZ VAL 231.A O no hydrogen 3.085 N/A LYS 243.A NZ THR 233.A OG1 no hydrogen 2.896 N/A ALA 245.A N CYS 203.A O no hydrogen 2.894 N/A SER 246.A N GLU 229.A O no hydrogen 2.629 N/A VAL 247.A N LEU 201.A O no hydrogen 2.912 N/A VAL 249.A N VAL 199.A O no hydrogen 2.937 N/A LEU 251.A N GLY 197.A O no hydrogen 2.869 N/A GLY 252.A N GLU 254.A OE2 no hydrogen 2.536 N/A LYS 253.A N PRO 250.A O no hydrogen 3.148 N/A ASN 256.A N LYS 253.A O no hydrogen 2.831 N/A TYR 257.A N GLU 254.A O no hydrogen 2.981 N/A THR 258.A N GLN 218.A O no hydrogen 2.981 N/A CYS 259.A N LEU 272.A O no hydrogen 2.882 N/A CYS 259.A SG THR 216.A O no hydrogen 3.969 N/A ARG 260.A N THR 216.A O no hydrogen 2.833 N/A ARG 260.A NE GLN 218.A OE1 no hydrogen 2.808 N/A VAL 261.A N LEU 270.A O no hydrogen 2.859 N/A TYR 262.A N THR 214.A O no hydrogen 2.785 N/A HIS 263.A NE2 PRO 210.A O no hydrogen 2.990 N/A GLY 265.A N HIS 263.A ND1 no hydrogen 3.018 N/A LEU 266.A N HIS 263.A O no hydrogen 2.916 N/A LEU 270.A N VAL 261.A O no hydrogen 2.920 N/A LEU 272.A N CYS 259.A O no hydrogen 2.910 N/A