Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7o63_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG.B GLY 73.A O no hydrogen 3.277 N/A VAL 4.A N SER 2.A OG.A no hydrogen 3.235 N/A ARG 5.A N SER 2.A O.A no hydrogen 3.018 N/A ARG 5.A NE PHE 8.A O no hydrogen 2.957 N/A ARG 5.A NH1 GLU 13.A OE2 no hydrogen 2.897 N/A ARG 5.A NH2 PHE 8.A O no hydrogen 2.887 N/A ARG 5.A NH2 GLU 13.A OE2 no hydrogen 2.783 N/A ASN 7.A ND2 GLY 121.A O no hydrogen 2.914 N/A ASP 11.A N HIS 9.A ND1 no hydrogen 2.876 N/A GLU 13.A N HIS 9.A O no hydrogen 3.081 N/A ALA 14.A N PRO 10.A O no hydrogen 2.993 N/A ALA 15.A N ASP 11.A O no hydrogen 2.982 N/A ILE 16.A N SER 12.A O no hydrogen 2.879 N/A ASN 17.A N GLU 13.A O no hydrogen 3.100 N/A ASN 17.A ND2 ARG 75.A O no hydrogen 3.079 N/A ARG 18.A N ALA 14.A O no hydrogen 3.016 N/A GLN 19.A N ALA 15.A O no hydrogen 2.915 N/A GLN 19.A NE2 GLU 23.A OE1 no hydrogen 2.895 N/A ILE 20.A N ILE 16.A O no hydrogen 2.863 N/A ASN 21.A N ASN 17.A O no hydrogen 3.237 N/A ASN 21.A ND2 ASP 80.A O no hydrogen 2.936 N/A LEU 22.A N ARG 18.A O no hydrogen 3.065 N/A GLU 23.A N GLN 19.A O no hydrogen 2.935 N/A LEU 24.A N ILE 20.A O no hydrogen 3.008 N/A TYR 25.A N ASN 21.A O no hydrogen 2.848 N/A ALA 26.A N LEU 22.A O no hydrogen 2.913 N/A SER 27.A N GLU 23.A O no hydrogen 2.928 N/A SER 27.A OG SER 55.A O no hydrogen 2.922 N/A SER 27.A OG SER 55.A OG no hydrogen 3.106 N/A SER 27.A OG THR 59.A OG1 no hydrogen 2.989 N/A TYR 28.A N LEU 24.A O no hydrogen 3.103 N/A VAL 29.A N TYR 25.A O no hydrogen 2.926 N/A TYR 30.A N.A ALA 26.A O no hydrogen 3.068 N/A TYR 30.A N.B ALA 26.A O no hydrogen 3.077 N/A TYR 30.A OH.A GLU 103.A OE2.A no hydrogen 2.600 N/A TYR 30.A OH.A GLU 103.A OE2.B no hydrogen 2.805 N/A TYR 30.A OH.B GLU 103.A OE2.A no hydrogen 2.895 N/A TYR 30.A OH.B GLU 103.A OE2.B no hydrogen 2.539 N/A LEU 31.A N SER 27.A O no hydrogen 2.944 N/A SER 32.A N TYR 28.A O no hydrogen 2.962 N/A SER 32.A OG GLN 86.A O.A no hydrogen 3.503 N/A MET 33.A N VAL 29.A O no hydrogen 2.960 N/A ALA 34.A N TYR 30.A O.A no hydrogen 2.901 N/A ALA 34.A N TYR 30.A O.B no hydrogen 2.769 N/A TYR 35.A N LEU 31.A O no hydrogen 3.193 N/A TYR 36.A N SER 32.A O no hydrogen 3.025 N/A PHE 37.A N MET 33.A O no hydrogen 3.237 N/A SER 38.A OG.A TYR 35.A O no hydrogen 3.322 N/A SER 38.A OG.B SER 48.A OG no hydrogen 2.913 N/A ARG 39.A N TYR 36.A O no hydrogen 3.116 N/A ARG 39.A NE.A ASP 41.A OD1 no hydrogen 2.944 N/A ARG 39.A NH1.A ASP 88.A OD2.B no hydrogen 3.302 N/A ARG 39.A NH1.B ASP 88.A OD2.B no hydrogen 3.218 N/A ARG 39.A NH2.A ASP 41.A OD1 no hydrogen 3.344 N/A ARG 39.A NH2.A ASP 41.A OD2 no hydrogen 3.027 N/A VAL 42.A N ARG 39.A O no hydrogen 3.037 N/A LEU 44.A N PHE 37.A O no hydrogen 2.901 N/A ASN 46.A N ASP 167.A OD2 no hydrogen 2.815 N/A ASN 46.A ND2 ASP 167.A O no hydrogen 2.894 N/A PHE 47.A N ASP 167.A OD2 no hydrogen 3.014 N/A SER 48.A N LEU 44.A O no hydrogen 3.030 N/A SER 48.A OG ALA 34.A O no hydrogen 2.788 N/A SER 48.A OG SER 38.A OG.B no hydrogen 2.913 N/A ARG 49.A N ASN 45.A O no hydrogen 2.982 N/A ARG 49.A NE.A ASN 46.A OD1 no hydrogen 2.847 N/A ARG 49.A NH1.B LEU 171.A O no hydrogen 3.390 N/A ARG 49.A NH2.A ASN 46.A OD1 no hydrogen 3.200 N/A ARG 49.A NH2.B LEU 171.A O no hydrogen 2.795 N/A TYR 50.A N ASN 46.A O no hydrogen 2.912 N/A TYR 50.A OH GLU 143.A OE1 no hydrogen 2.684 N/A PHE 51.A N PHE 47.A O no hydrogen 3.071 N/A LEU 52.A N SER 48.A O no hydrogen 2.922 N/A HIS 53.A N ARG 49.A O no hydrogen 2.988 N/A GLN 54.A N TYR 50.A O no hydrogen 3.034 N/A GLN 54.A NE2 TYR 50.A O no hydrogen 3.600 N/A SER 55.A N PHE 51.A O no hydrogen 2.867 N/A SER 55.A OG SER 27.A O no hydrogen 2.749 N/A SER 55.A OG SER 27.A OG no hydrogen 3.106 N/A ARG 56.A N LEU 52.A O no hydrogen 3.087 N/A GLU 57.A N HIS 53.A O no hydrogen 3.023 N/A GLU 58.A N GLN 54.A O no hydrogen 3.038 N/A THR 59.A N SER 55.A O no hydrogen 3.229 N/A THR 59.A OG1 SER 27.A OG no hydrogen 2.989 N/A THR 59.A OG1 SER 55.A O no hydrogen 3.392 N/A GLU 60.A N ARG 56.A O no hydrogen 3.185 N/A HIS 61.A N.A GLU 57.A O no hydrogen 2.947 N/A HIS 61.A N.B GLU 57.A O no hydrogen 2.957 N/A HIS 61.A ND1.A GLU 58.A OE1 no hydrogen 3.009 N/A ALA 62.A N GLU 58.A O no hydrogen 2.932 N/A GLU 63.A N THR 59.A O no hydrogen 2.913 N/A LYS 64.A N GLU 60.A O no hydrogen 2.974 N/A LYS 64.A NZ.B GLU 60.A OE2.A no hydrogen 3.378 N/A LEU 65.A N HIS 61.A O.A no hydrogen 3.374 N/A LEU 65.A N HIS 61.A O.B no hydrogen 3.403 N/A MET 66.A N ALA 62.A O no hydrogen 2.975 N/A ARG 67.A N GLU 63.A O no hydrogen 2.859 N/A LEU 68.A N LYS 64.A O no hydrogen 2.927 N/A GLN 69.A N LEU 65.A O no hydrogen 2.949 N/A GLN 69.A NE2 GLU 13.A O no hydrogen 3.067 N/A GLN 69.A NE2 ASN 17.A OD1 no hydrogen 3.065 N/A ASN 70.A N MET 66.A O no hydrogen 3.145 N/A GLN 71.A N ARG 67.A O no hydrogen 2.786 N/A ARG 72.A N LEU 68.A O no hydrogen 2.911 N/A ARG 72.A NH1 ASP 122.A OD1 no hydrogen 2.985 N/A ARG 72.A NH1 ASP 122.A OD2 no hydrogen 3.272 N/A ARG 72.A NH1 HIS 124.A ND1 no hydrogen 3.056 N/A ARG 72.A NH2 GLN 6.A O no hydrogen 3.090 N/A ARG 72.A NH2 ASP 122.A OD1 no hydrogen 3.498 N/A ARG 72.A NH2 ASP 122.A OD2 no hydrogen 3.190 N/A GLY 73.A N ASN 70.A O no hydrogen 3.142 N/A GLY 74.A N GLN 69.A O no hydrogen 2.848 N/A ARG 75.A N GLU 13.A OE1 no hydrogen 2.869 N/A ARG 75.A NH1 GLY 74.A O no hydrogen 2.811 N/A ARG 77.A N ASN 17.A OD1 no hydrogen 3.106 N/A ARG 77.A NH1.A ILE 76.A O no hydrogen 3.158 N/A GLN 86.A NE2.A ASP 88.A O.A no hydrogen 2.668 N/A GLN 86.A NE2.A ASP 88.A O.B no hydrogen 2.714 N/A GLN 86.A NE2.A GLU 90.A OE2 no hydrogen 3.147 N/A GLN 86.A NE2.B ASP 88.A O.A no hydrogen 3.036 N/A GLN 86.A NE2.B ASP 88.A O.B no hydrogen 3.066 N/A GLN 86.A NE2.B GLU 90.A OE2 no hydrogen 2.894 N/A TRP 89.A NE1 SER 32.A OG no hydrogen 2.926 N/A GLU 90.A N ASP 88.A OD1.A no hydrogen 2.891 N/A GLU 90.A N ASP 88.A OD1.B no hydrogen 2.977 N/A SER 91.A N TRP 89.A O no hydrogen 2.848 N/A GLY 92.A N GLU 163.A OE1 no hydrogen 2.842 N/A LEU 93.A N GLU 163.A OE2 no hydrogen 2.907 N/A HIS 94.A N SER 91.A OG no hydrogen 2.920 N/A HIS 94.A NE2 GLN 86.A OE1.A no hydrogen 3.021 N/A HIS 94.A NE2 GLN 86.A OE1.B no hydrogen 2.721 N/A ALA 95.A N SER 91.A O no hydrogen 3.015 N/A MET 96.A N GLY 92.A O no hydrogen 3.049 N/A GLU 97.A N LEU 93.A O no hydrogen 2.900 N/A CYS 98.A N HIS 94.A O no hydrogen 2.875 N/A CYS 98.A SG GLN 86.A OE1.A no hydrogen 3.931 N/A CYS 98.A SG GLN 86.A OE1.B no hydrogen 3.860 N/A CYS 98.A SG HIS 94.A NE2 no hydrogen 3.289 N/A CYS 98.A SG HIS 94.A O no hydrogen 3.358 N/A ALA 99.A N ALA 95.A O no hydrogen 2.849 N/A LEU 100.A N MET 96.A O no hydrogen 2.935 N/A LEU 101.A N GLU 97.A O no hydrogen 3.068 N/A LEU 102.A N CYS 98.A O no hydrogen 2.948 N/A GLU 103.A N ALA 99.A O no hydrogen 2.875 N/A LYS 104.A N LEU 100.A O no hydrogen 3.008 N/A ASN 105.A N LEU 101.A O no hydrogen 2.924 N/A VAL 106.A N LEU 102.A O no hydrogen 2.848 N/A ASN 107.A N GLU 103.A O no hydrogen 2.870 N/A GLN 108.A N LYS 104.A O no hydrogen 2.902 N/A GLN 108.A NE2.A GLU 112.A OE2.A no hydrogen 3.023 N/A GLN 108.A NE2.A GLU 112.A OE2.B no hydrogen 2.666 N/A GLN 108.A NE2.B GLU 112.A OE2.A no hydrogen 3.083 N/A GLN 108.A NE2.B GLU 112.A OE2.B no hydrogen 3.156 N/A SER 109.A N ASN 105.A O no hydrogen 3.089 N/A SER 109.A OG.A GLN 19.A OE1 no hydrogen 2.639 N/A SER 109.A OG.B ASN 105.A O no hydrogen 3.334 N/A LEU 110.A N VAL 106.A O no hydrogen 2.936 N/A LEU 111.A N ASN 107.A O no hydrogen 2.866 N/A GLU 112.A N GLN 108.A O no hydrogen 2.955 N/A LEU 113.A N SER 109.A O no hydrogen 2.916 N/A HIS 114.A N LEU 110.A O no hydrogen 2.868 N/A HIS 114.A NE2 GLU 130.A OE2.A no hydrogen 2.535 N/A HIS 114.A NE2 GLU 130.A OE2.B no hydrogen 2.934 N/A ALA 115.A N LEU 111.A O no hydrogen 2.946 N/A LEU 116.A N GLU 112.A O no hydrogen 2.948 N/A ALA 117.A N LEU 113.A O no hydrogen 2.874 N/A SER 118.A N HIS 114.A O no hydrogen 2.873 N/A SER 118.A OG HIS 114.A ND1 no hydrogen 3.410 N/A SER 118.A OG HIS 114.A O no hydrogen 2.893 N/A ASP 119.A N ALA 115.A O no hydrogen 2.912 N/A LYS 120.A N LEU 116.A O no hydrogen 2.902 N/A GLY 121.A N SER 118.A O no hydrogen 3.041 N/A ASP 122.A N ALA 117.A O no hydrogen 2.928 N/A LEU 125.A N ASP 122.A OD1 no hydrogen 3.003 N/A CYS 126.A N ASP 122.A O no hydrogen 3.064 N/A CYS 126.A SG SER 118.A OG no hydrogen 3.436 N/A CYS 126.A SG ASP 122.A O no hydrogen 3.496 N/A ASP 127.A N.A PRO 123.A O no hydrogen 2.922 N/A ASP 127.A N.B PRO 123.A O no hydrogen 2.919 N/A PHE 128.A N HIS 124.A O no hydrogen 2.908 N/A LEU 129.A N LEU 125.A O no hydrogen 3.045 N/A GLU 130.A N.A CYS 126.A O no hydrogen 2.964 N/A GLU 130.A N.B CYS 126.A O no hydrogen 3.009 N/A THR 131.A N ASP 127.A O.A no hydrogen 2.841 N/A THR 131.A N ASP 127.A O.B no hydrogen 2.793 N/A THR 131.A OG1 ASP 127.A O.A no hydrogen 2.712 N/A THR 131.A OG1 ASP 127.A O.B no hydrogen 2.796 N/A THR 131.A OG1 ASP 127.A OD1.A no hydrogen 3.181 N/A THR 131.A OG1 ASP 127.A OD2.A no hydrogen 3.567 N/A THR 131.A OG1 ASP 127.A OD2.B no hydrogen 3.432 N/A TYR 132.A N PHE 128.A O no hydrogen 3.039 N/A TYR 133.A N LEU 129.A O no hydrogen 2.919 N/A TYR 133.A OH HIS 61.A O.A no hydrogen 2.661 N/A TYR 133.A OH HIS 61.A O.B no hydrogen 2.627 N/A LEU 134.A N LEU 129.A O no hydrogen 2.935 N/A GLN 137.A N TYR 133.A O no hydrogen 2.939 N/A GLN 137.A NE2 GLU 103.A O no hydrogen 2.998 N/A GLN 137.A NE2 GLU 103.A OE1.A no hydrogen 2.950 N/A GLN 137.A NE2 GLU 103.A OE1.B no hydrogen 2.707 N/A VAL 138.A N LEU 134.A O no hydrogen 3.117 N/A LYS 139.A N ASN 135.A O no hydrogen 2.898 N/A LYS 139.A NZ.A GLU 136.A OE2.B no hydrogen 2.856 N/A SER 140.A N GLU 136.A O no hydrogen 2.958 N/A SER 140.A OG.A GLU 136.A O no hydrogen 2.896 N/A ILE 141.A N GLN 137.A O no hydrogen 2.876 N/A LYS 142.A N VAL 138.A O no hydrogen 3.002 N/A LYS 142.A NZ ASP 146.A OD1 no hydrogen 2.789 N/A LYS 142.A NZ ASP 146.A OD2 no hydrogen 3.313 N/A GLU 143.A N LYS 139.A O no hydrogen 2.955 N/A LEU 144.A N SER 140.A O no hydrogen 2.956 N/A GLY 145.A N ILE 141.A O no hydrogen 2.884 N/A ASP 146.A N LYS 142.A O no hydrogen 2.909 N/A HIS 147.A N GLU 143.A O no hydrogen 2.971 N/A VAL 148.A N LEU 144.A O no hydrogen 2.858 N/A HIS 149.A N GLY 145.A O no hydrogen 2.935 N/A ASN 150.A N ASP 146.A O no hydrogen 3.047 N/A ASN 150.A ND2 ASP 146.A O no hydrogen 3.072 N/A LEU 151.A N HIS 147.A O no hydrogen 2.944 N/A VAL 152.A N VAL 148.A O no hydrogen 2.888 N/A LYS 153.A N HIS 149.A O no hydrogen 2.933 N/A MET 154.A N ASN 150.A O no hydrogen 2.892 N/A GLY 155.A N VAL 152.A O no hydrogen 3.033 N/A ALA 156.A N LEU 151.A O no hydrogen 2.943 N/A ALA 159.A N GLY 155.A O no hydrogen 2.983 N/A ALA 162.A N ALA 159.A O no hydrogen 3.063 N/A LEU 165.A N LEU 161.A O no hydrogen 2.906 N/A PHE 166.A N ALA 162.A O no hydrogen 2.917 N/A ASP 167.A N GLU 163.A O no hydrogen 2.850 N/A THR 168.A N.A TYR 164.A O no hydrogen 3.169 N/A THR 168.A N.B TYR 164.A O no hydrogen 3.185 N/A THR 168.A OG1.A TYR 164.A O no hydrogen 2.762 N/A HIS 169.A N.A LEU 165.A O no hydrogen 2.828 N/A HIS 169.A N.B LEU 165.A O no hydrogen 2.960 N/A LEU 171.A N PHE 166.A O no hydrogen 3.170 N/A GLY 172.A N.A HIS 169.A O.A no hydrogen 3.235 N/A GLY 172.A N.B HIS 169.A O.A no hydrogen 3.251 N/A