Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4w1u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N GLN 97.A OE1 no hydrogen 2.776 N/A ARG 4.A NH1 GLU 7.A OE1 no hydrogen 3.376 N/A LEU 8.A N ARG 4.A O no hydrogen 3.042 N/A LEU 9.A N ARG 5.A O no hydrogen 2.865 N/A GLU 10.A N GLY 6.A O no hydrogen 2.974 N/A LEU 11.A N GLU 7.A O no hydrogen 3.132 N/A ALA 12.A N LEU 8.A O no hydrogen 2.884 N/A ALA 13.A N LEU 9.A O no hydrogen 2.834 N/A ALA 14.A N GLU 10.A O no hydrogen 3.091 N/A MET 15.A N LEU 11.A O no hydrogen 3.133 N/A PHE 16.A N ALA 12.A O no hydrogen 2.769 N/A ALA 17.A N ALA 13.A O no hydrogen 2.806 N/A GLU 18.A N ALA 14.A O no hydrogen 3.001 N/A ARG 19.A N MET 15.A O no hydrogen 2.883 N/A ARG 19.A NH2 ALA 23.A O no hydrogen 3.455 N/A GLY 20.A N PHE 16.A O no hydrogen 2.783 N/A LEU 21.A N GLU 104.A OE2 no hydrogen 3.133 N/A THR 24.A N LEU 21.A O no hydrogen 3.055 N/A THR 24.A OG1 GLY 20.A O no hydrogen 2.834 N/A THR 25.A N ASP 28.A OD2 no hydrogen 2.857 N/A ASP 28.A N THR 25.A OG1 no hydrogen 2.978 N/A ILE 29.A N THR 25.A O no hydrogen 3.230 N/A ALA 30.A N VAL 26.A O no hydrogen 2.856 N/A ASP 31.A N ARG 27.A O no hydrogen 2.803 N/A GLY 32.A N ASP 28.A O no hydrogen 2.876 N/A ALA 33.A N ILE 29.A O no hydrogen 2.941 N/A GLY 34.A N ASP 31.A O no hydrogen 3.007 N/A ILE 35.A N ALA 30.A O no hydrogen 2.824 N/A LEU 40.A N LEU 36.A O no hydrogen 3.160 N/A TYR 41.A N SER 37.A O no hydrogen 2.914 N/A HIS 42.A N SER 39.A O no hydrogen 2.951 N/A HIS 43.A N LEU 40.A O no hydrogen 2.956 N/A PHE 44.A N LEU 40.A O no hydrogen 3.214 N/A ALA 45.A N GLU 49.A OE2 no hydrogen 2.877 N/A SER 46.A OG GLU 48.A OE2.B no hydrogen 3.497 N/A LYS 47.A NZ LEU 21.A O no hydrogen 2.862 N/A LYS 47.A NZ THR 24.A O no hydrogen 2.644 N/A GLU 49.A N SER 46.A OG no hydrogen 2.973 N/A MET 50.A N SER 46.A O no hydrogen 3.180 N/A VAL 51.A N LYS 47.A O no hydrogen 3.026 N/A ASP 52.A N GLU 48.A O.A no hydrogen 2.929 N/A ASP 52.A N GLU 48.A O.B no hydrogen 2.988 N/A GLU 53.A N GLU 49.A O no hydrogen 3.045 N/A LEU 54.A N MET 50.A O no hydrogen 2.982 N/A LEU 55.A N VAL 51.A O no hydrogen 2.778 N/A ARG 56.A N ASP 52.A O no hydrogen 2.861 N/A ARG 56.A NE ASP 52.A OD1 no hydrogen 2.986 N/A GLY 57.A N GLU 53.A O no hydrogen 2.997 N/A PHE 58.A N LEU 54.A O no hydrogen 3.040 N/A LEU 59.A N LEU 55.A O no hydrogen 2.881 N/A ASP 60.A N ARG 56.A O no hydrogen 2.865 N/A TRP 61.A N GLY 57.A O no hydrogen 2.976 N/A LEU 62.A N PHE 58.A O no hydrogen 2.916 N/A PHE 63.A N LEU 59.A O no hydrogen 2.895 N/A ALA 64.A N ASP 60.A O no hydrogen 3.043 N/A ARG 65.A N TRP 61.A O no hydrogen 3.018 N/A ARG 65.A NE GLU 89.A OE2 no hydrogen 3.277 N/A ARG 65.A NH2 GLU 89.A OE2 no hydrogen 3.361 N/A TYR 66.A N LEU 62.A O no hydrogen 2.929 N/A ARG 67.A N PHE 63.A O no hydrogen 2.966 N/A ARG 67.A NE ASP 68.A OD1 no hydrogen 3.492 N/A ARG 67.A NH2 ASP 68.A OD1 no hydrogen 3.273 N/A ASP 68.A N ALA 64.A O no hydrogen 3.029 N/A ILE 69.A N ARG 65.A O no hydrogen 2.875 N/A VAL 70.A N TYR 66.A O no hydrogen 2.857 N/A ASP 71.A N ARG 67.A O no hydrogen 2.909 N/A SER 72.A N ASP 68.A O no hydrogen 3.003 N/A SER 72.A N ILE 69.A O no hydrogen 3.211 N/A SER 72.A OG ASP 68.A O no hydrogen 2.820 N/A SER 72.A OG ILE 69.A O no hydrogen 3.490 N/A THR 73.A OG1 ILE 69.A O no hydrogen 2.864 N/A ALA 74.A N GLU 78.A OE1 no hydrogen 2.944 N/A GLU 78.A N ASN 75.A OD1 no hydrogen 2.849 N/A ARG 79.A N ASN 75.A O no hydrogen 2.962 N/A ARG 79.A NE.A VAL 70.A O no hydrogen 3.308 N/A ARG 79.A NH1.B GLN 134.A OE1 no hydrogen 3.008 N/A ARG 79.A NH2.A THR 73.A O no hydrogen 2.629 N/A LEU 80.A N PRO 76.A O no hydrogen 2.865 N/A GLN 81.A N LEU 77.A O no hydrogen 2.965 N/A GLY 82.A N GLU 78.A O no hydrogen 2.975 N/A LEU 83.A N ARG 79.A O no hydrogen 2.887 N/A PHE 84.A N LEU 80.A O no hydrogen 2.862 N/A MET 85.A N GLN 81.A O no hydrogen 3.192 N/A ALA 86.A N GLY 82.A O no hydrogen 3.265 N/A ALA 86.A N LEU 83.A O no hydrogen 3.312 N/A SER 87.A OG.A PHE 84.A O no hydrogen 3.153 N/A SER 87.A OG.A THR 158.A O no hydrogen 2.691 N/A PHE 88.A N MET 85.A O no hydrogen 3.101 N/A GLU 89.A N MET 85.A O no hydrogen 3.179 N/A ALA 90.A N ALA 86.A O no hydrogen 3.046 N/A ILE 91.A N SER 87.A O no hydrogen 2.876 N/A GLU 92.A N PHE 88.A O no hydrogen 2.970 N/A HIS 93.A N GLU 89.A O no hydrogen 2.964 N/A HIS 94.A N ALA 90.A O no hydrogen 2.766 N/A HIS 94.A ND1 ARG 1.A O no hydrogen 2.874 N/A GLN 97.A NE2 ALA 3.A O no hydrogen 3.100 N/A GLN 97.A NE2 LEU 54.A O no hydrogen 2.935 N/A VAL 98.A N HIS 94.A O no hydrogen 3.013 N/A VAL 99.A N HIS 95.A O no hydrogen 2.987 N/A ILE 100.A N ALA 96.A O no hydrogen 2.894 N/A TYR 101.A N GLN 97.A O no hydrogen 2.912 N/A GLN 102.A N VAL 98.A O no hydrogen 2.877 N/A GLN 102.A NE2.A ASP 103.A OD1 no hydrogen 2.953 N/A GLN 102.A NE2.B TRP 159.A O no hydrogen 3.347 N/A ASP 103.A N VAL 99.A O no hydrogen 2.887 N/A GLU 104.A N ILE 100.A O no hydrogen 2.806 N/A GLU 104.A N TYR 101.A O no hydrogen 3.277 N/A ALA 105.A N TYR 101.A O no hydrogen 2.857 N/A ARG 107.A NH2 GLU 104.A OE1 no hydrogen 3.026 N/A LEU 108.A N GLU 104.A O no hydrogen 2.983 N/A ALA 109.A N ALA 105.A O no hydrogen 2.905 N/A SER 110.A OG ARG 107.A O no hydrogen 3.319 N/A GLN 111.A N LEU 108.A O no hydrogen 2.905 N/A GLN 111.A NE2 GLU 48.A OE1.A no hydrogen 3.433 N/A ARG 113.A NH1 ASP 52.A OD2 no hydrogen 2.903 N/A PHE 114.A N GLN 111.A O no hydrogen 2.893 N/A SER 115.A N PRO 112.A O no hydrogen 3.231 N/A SER 115.A OG PRO 112.A O no hydrogen 3.471 N/A TYR 116.A OH ASP 52.A OD1 no hydrogen 2.706 N/A ILE 117.A N PHE 114.A O no hydrogen 3.031 N/A ARG 120.A N TYR 116.A O no hydrogen 2.948 N/A ARG 120.A NH1 GLN 123.A OE1 no hydrogen 2.938 N/A ARG 120.A NH2 ASP 60.A OD1 no hydrogen 3.077 N/A ASN 121.A N ILE 117.A O no hydrogen 2.914 N/A ASN 121.A ND2 GLU 118.A OE1 no hydrogen 3.149 N/A LYS 122.A N GLU 118.A O no hydrogen 2.912 N/A LYS 122.A NZ GLU 118.A OE2 no hydrogen 2.951 N/A GLN 123.A N ASP 119.A O no hydrogen 3.058 N/A GLN 124.A N ARG 120.A O no hydrogen 2.868 N/A GLN 124.A NE2 TYR 151.A OH no hydrogen 3.404 N/A ARG 125.A N ASN 121.A O no hydrogen 3.127 N/A ARG 125.A NH2 ASP 148.A OD1 no hydrogen 2.678 N/A LYS 126.A N LYS 122.A O no hydrogen 3.040 N/A LYS 126.A NZ ASP 130.A OD2 no hydrogen 2.865 N/A MET 127.A N GLN 123.A O no hydrogen 3.003 N/A TRP 128.A N GLN 124.A O no hydrogen 3.055 N/A VAL 129.A N ARG 125.A O no hydrogen 2.833 N/A ASP 130.A N LYS 126.A O no hydrogen 2.871 N/A VAL 131.A N MET 127.A O no hydrogen 3.099 N/A LEU 132.A N TRP 128.A O no hydrogen 3.014 N/A ASN 133.A N VAL 129.A O no hydrogen 2.898 N/A GLN 134.A N ASP 130.A O no hydrogen 3.004 N/A GLN 134.A NE2 GLU 138.A OE2 no hydrogen 2.792 N/A GLY 135.A N VAL 131.A O no hydrogen 2.926 N/A ILE 136.A N LEU 132.A O no hydrogen 2.898 N/A GLU 137.A N ASN 133.A O no hydrogen 2.887 N/A GLU 138.A N GLN 134.A O no hydrogen 2.985 N/A GLY 139.A N ILE 136.A O no hydrogen 3.225 N/A TYR 140.A N GLY 135.A O no hydrogen 2.777 N/A PHE 141.A N GLY 135.A O no hydrogen 3.084 N/A ASP 144.A N ASP 144.A OD1.B no hydrogen 2.446 N/A LEU 149.A N ASP 146.A OD1 no hydrogen 3.161 N/A VAL 150.A N ASP 146.A O no hydrogen 2.896 N/A TYR 151.A N VAL 147.A O no hydrogen 2.813 N/A TYR 151.A OH GLN 124.A OE1 no hydrogen 3.351 N/A ARG 152.A N ASP 148.A O no hydrogen 3.039 N/A ARG 152.A NE.B ASP 148.A OD2 no hydrogen 2.687 N/A ARG 152.A NH2.B ASP 148.A OD2 no hydrogen 3.150 N/A PHE 153.A N LEU 149.A O no hydrogen 2.833 N/A ILE 154.A N VAL 150.A O no hydrogen 2.864 N/A ARG 155.A N TYR 151.A O no hydrogen 2.784 N/A ARG 155.A NH1 TYR 151.A OH no hydrogen 3.272 N/A ASP 156.A N ARG 152.A O no hydrogen 2.803 N/A THR 157.A N PHE 153.A O no hydrogen 2.861 N/A THR 157.A OG1 PHE 153.A O no hydrogen 2.952 N/A THR 157.A OG1 ILE 154.A O no hydrogen 3.375 N/A THR 158.A N ILE 154.A O no hydrogen 2.820 N/A THR 158.A OG1 ILE 154.A O no hydrogen 2.762 N/A THR 158.A OG1 ARG 155.A O no hydrogen 3.204 N/A VAL 160.A N ASP 156.A O no hydrogen 2.928 N/A VAL 162.A N TRP 159.A O no hydrogen 3.212 N/A ARG 163.A N VAL 160.A O no hydrogen 3.086 N/A TRP 164.A N SER 161.A O no hydrogen 3.091 N/A TYR 165.A N SER 161.A O no hydrogen 2.857 N/A TYR 165.A OH GLU 92.A OE2 no hydrogen 3.420 N/A GLY 169.A N ARG 166.A O no hydrogen 2.978 N/A THR 172.A N GLN 175.A OE1 no hydrogen 3.074 N/A THR 172.A OG1 GLN 175.A OE1 no hydrogen 3.500 N/A ALA 173.A N GLU 92.A OE1 no hydrogen 2.816 N/A GLN 175.A N THR 172.A OG1 no hydrogen 3.156 N/A VAL 176.A N THR 172.A O no hydrogen 3.218 N/A GLY 177.A N ALA 173.A O no hydrogen 2.863 N/A GLN 178.A N GLN 174.A O no hydrogen 2.785 N/A GLN 179.A N.A GLN 175.A O no hydrogen 3.103 N/A GLN 179.A N.B GLN 175.A O no hydrogen 3.105 N/A TYR 180.A N VAL 176.A O no hydrogen 2.874 N/A LEU 181.A N GLY 177.A O no hydrogen 2.773 N/A ALA 182.A N GLN 178.A O no hydrogen 2.986 N/A ILE 183.A N GLN 179.A O.A no hydrogen 3.416 N/A ILE 183.A N GLN 179.A O.B no hydrogen 3.160 N/A VAL 184.A N TYR 180.A O no hydrogen 3.008 N/A LEU 185.A N LEU 181.A O no hydrogen 2.884 N/A GLY 186.A N ALA 182.A O no hydrogen 2.839 N/A GLY 187.A N ILE 183.A O no hydrogen 2.718 N/A VAL 193.A N LYS 190.A O no hydrogen 2.797 N/A