Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2aup_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG ASP 4.A OD2 no hydrogen 2.949 N/A ASP 4.A N SER 1.A OG no hydrogen 3.371 N/A ALA 5.A N SER 1.A O no hydrogen 3.046 N/A ALA 6.A N VAL 2.A O no hydrogen 3.030 N/A ALA 7.A N ASP 4.A O no hydrogen 3.050 N/A GLN 8.A N ALA 5.A O no hydrogen 3.046 N/A GLN 8.A NE2 ASP 4.A O no hydrogen 3.114 N/A LEU 9.A N ALA 6.A O no hydrogen 3.239 N/A THR 10.A N GLN 8.A O no hydrogen 3.005 N/A LYS 14.A N THR 10.A O no hydrogen 3.042 N/A LYS 14.A NZ LEU 83.A O no hydrogen 3.557 N/A LYS 15.A N ALA 11.A O no hydrogen 3.195 N/A LYS 15.A NZ ASP 19.A OD2 no hydrogen 3.435 N/A ASP 16.A N ASP 12.A O no hydrogen 3.037 N/A LEU 17.A N VAL 13.A O no hydrogen 2.974 N/A ARG 18.A N LYS 14.A O no hydrogen 2.956 N/A ASP 19.A N LYS 15.A O no hydrogen 2.924 N/A SER 20.A N ASP 16.A O no hydrogen 3.156 N/A SER 20.A OG ASP 16.A O no hydrogen 2.849 N/A SER 20.A OG LEU 17.A O no hydrogen 3.128 N/A TRP 21.A N LEU 17.A O no hydrogen 2.926 N/A TRP 21.A NE1 GLN 77.A OE1 no hydrogen 2.957 N/A LYS 22.A N ARG 18.A O no hydrogen 2.936 N/A VAL 23.A N SER 20.A O no hydrogen 3.095 N/A ILE 24.A N SER 20.A O no hydrogen 2.951 N/A GLY 25.A N TRP 21.A O no hydrogen 2.588 N/A SER 26.A N VAL 23.A O no hydrogen 3.099 N/A SER 26.A OG LYS 22.A O no hydrogen 2.744 N/A ASP 27.A N ILE 24.A O no hydrogen 3.450 N/A LYS 28.A NZ GLY 25.A O no hydrogen 2.810 N/A LYS 28.A NZ GLN 77.A OE1 no hydrogen 3.410 N/A GLY 30.A N ASP 27.A OD2 no hydrogen 2.985 N/A ASN 31.A N ASP 27.A O no hydrogen 2.953 N/A GLY 32.A N LYS 28.A O no hydrogen 2.870 N/A VAL 33.A N LYS 29.A O no hydrogen 3.083 N/A ALA 34.A N GLY 30.A O no hydrogen 3.080 N/A LEU 35.A N ASN 31.A O no hydrogen 2.910 N/A MET 36.A N GLY 32.A O no hydrogen 3.125 N/A THR 37.A N VAL 33.A O no hydrogen 2.939 N/A THR 37.A OG1 VAL 33.A O no hydrogen 2.875 N/A THR 37.A OG1 ALA 34.A O no hydrogen 2.953 N/A THR 38.A N ALA 34.A O no hydrogen 3.056 N/A THR 38.A OG1 ALA 34.A O no hydrogen 2.732 N/A LEU 39.A N LEU 35.A O no hydrogen 3.123 N/A PHE 40.A N MET 36.A O no hydrogen 3.014 N/A ALA 41.A N THR 37.A O no hydrogen 2.971 N/A ALA 41.A N THR 38.A O no hydrogen 3.242 N/A ASP 42.A N THR 38.A O no hydrogen 2.856 N/A ASN 43.A N LEU 39.A O no hydrogen 2.772 N/A ASN 43.A ND2 GLU 45.A OE1 no hydrogen 3.044 N/A GLU 45.A N GLU 45.A OE2 no hydrogen 2.690 N/A THR 46.A N ASN 43.A O no hydrogen 2.959 N/A THR 46.A OG1 ASN 43.A O no hydrogen 2.715 N/A ILE 47.A N GLN 44.A O no hydrogen 3.355 N/A TYR 49.A N THR 46.A O no hydrogen 3.133 N/A TYR 49.A OH GLU 109.A OE1 no hydrogen 2.791 N/A PHE 50.A N ILE 47.A O no hydrogen 2.867 N/A LEU 53.A N PHE 50.A O no hydrogen 2.922 N/A GLY 54.A N LYS 51.A O no hydrogen 3.270 N/A SER 57.A N ASP 55.A OD2 no hydrogen 3.204 N/A SER 57.A OG ASP 55.A OD2 no hydrogen 2.635 N/A GLN 58.A N ASP 55.A O no hydrogen 3.389 N/A GLY 59.A N VAL 56.A O no hydrogen 3.396 N/A ALA 61.A N GLN 58.A O no hydrogen 3.308 N/A ASN 62.A N GLY 59.A O no hydrogen 2.935 N/A ASN 62.A ND2 LEU 53.A O no hydrogen 2.867 N/A ASN 62.A ND2 ASP 55.A O no hydrogen 2.946 N/A LEU 65.A N ASN 62.A OD1 no hydrogen 3.016 N/A ARG 66.A N ASN 62.A O no hydrogen 2.841 N/A ARG 66.A NH1 MET 60.A O no hydrogen 3.009 N/A ARG 66.A NH1 ASP 63.A OD2 no hydrogen 2.769 N/A ARG 66.A NH2 ASP 63.A OD2 no hydrogen 3.086 N/A GLY 67.A N ASP 63.A O no hydrogen 2.777 N/A HIS 68.A N LYS 64.A O no hydrogen 2.939 N/A SER 69.A N LEU 65.A O no hydrogen 2.850 N/A SER 69.A OG LEU 65.A O no hydrogen 2.766 N/A ILE 70.A N ARG 66.A O no hydrogen 3.077 N/A THR 71.A N GLY 67.A O no hydrogen 3.216 N/A THR 71.A OG1 GLY 67.A O no hydrogen 2.932 N/A LEU 72.A N HIS 68.A O no hydrogen 2.909 N/A MET 73.A N SER 69.A O no hydrogen 3.279 N/A TYR 74.A N ILE 70.A O no hydrogen 3.336 N/A TYR 74.A N THR 71.A O no hydrogen 3.259 N/A ALA 75.A N LEU 72.A O no hydrogen 3.032 N/A LEU 76.A N LEU 72.A O no hydrogen 3.210 N/A GLN 77.A N MET 73.A O no hydrogen 2.954 N/A GLN 77.A NE2 GLN 77.A O no hydrogen 3.549 N/A GLN 77.A NE2 ASP 81.A OD1 no hydrogen 3.301 N/A GLN 77.A NE2 ASP 81.A OD2 no hydrogen 3.521 N/A ASN 78.A N TYR 74.A O no hydrogen 2.939 N/A ASN 78.A ND2 TYR 96.A OH no hydrogen 3.101 N/A PHE 79.A N ALA 75.A O no hydrogen 3.045 N/A ILE 80.A N LEU 76.A O no hydrogen 2.941 N/A ASP 81.A N GLN 77.A O no hydrogen 2.967 N/A GLN 82.A N ASN 78.A O no hydrogen 3.110 N/A GLN 82.A N PHE 79.A O no hydrogen 3.035 N/A GLN 82.A NE2 ASN 78.A O no hydrogen 3.282 N/A GLN 82.A NE2 ASN 78.A OD1 no hydrogen 3.054 N/A LEU 83.A N ILE 80.A O no hydrogen 3.384 N/A ASN 85.A N GLN 82.A O no hydrogen 3.173 N/A ASP 87.A N ASN 85.A OD1 no hydrogen 2.933 N/A ASP 88.A N ASN 85.A OD1 no hydrogen 3.460 N/A LEU 89.A N ASN 85.A O no hydrogen 2.942 N/A VAL 90.A N PRO 86.A O no hydrogen 2.957 N/A CYS 91.A N ASP 87.A O no hydrogen 3.279 N/A CYS 91.A SG ASP 87.A O no hydrogen 3.919 N/A CYS 91.A SG ASP 88.A O no hydrogen 3.376 N/A VAL 92.A N ASP 88.A O no hydrogen 3.156 N/A VAL 93.A N LEU 89.A O no hydrogen 2.913 N/A GLU 94.A N VAL 90.A O no hydrogen 2.921 N/A LYS 95.A N CYS 91.A O no hydrogen 3.178 N/A TYR 96.A N VAL 92.A O no hydrogen 3.195 N/A ALA 97.A N VAL 93.A O no hydrogen 3.013 N/A VAL 98.A N GLU 94.A O no hydrogen 3.306 N/A HIS 100.A ND1 TYR 96.A O no hydrogen 2.808 N/A ILE 101.A N ALA 97.A O no hydrogen 2.826 N/A THR 102.A N VAL 98.A O no hydrogen 2.915 N/A THR 102.A OG1 VAL 98.A O no hydrogen 2.989 N/A ARG 103.A N ASN 99.A O no hydrogen 3.077 N/A ARG 103.A N HIS 100.A O no hydrogen 3.193 N/A LYS 104.A N ILE 101.A O no hydrogen 2.912 N/A ILE 105.A N HIS 100.A O no hydrogen 2.949 N/A GLU 109.A N SER 106.A OG no hydrogen 3.257 N/A PHE 110.A N SER 106.A O no hydrogen 2.855 N/A GLY 111.A N ALA 107.A O no hydrogen 2.921 N/A LYS 112.A N GLU 109.A O no hydrogen 3.093 N/A LYS 112.A NZ GLU 45.A OE1 no hydrogen 2.841 N/A LYS 112.A NZ GLU 109.A OE2 no hydrogen 2.827 N/A ILE 113.A N PHE 110.A O no hydrogen 3.178 N/A ASN 114.A N GLY 111.A O no hydrogen 3.231 N/A ILE 117.A N ILE 113.A O no hydrogen 3.074 N/A LYS 118.A N ASN 114.A O no hydrogen 2.967 N/A LYS 119.A N GLY 115.A O no hydrogen 3.051 N/A LYS 119.A NZ ASP 42.A OD2 no hydrogen 2.838 N/A VAL 120.A N PRO 116.A O no hydrogen 2.959 N/A LEU 121.A N ILE 117.A O no hydrogen 2.919 N/A ALA 122.A N LYS 118.A O no hydrogen 2.909 N/A SER 123.A N LYS 119.A O no hydrogen 2.997 N/A SER 123.A OG LYS 119.A O no hydrogen 3.532 N/A SER 123.A OG VAL 120.A O no hydrogen 2.466 N/A LYS 124.A N LEU 121.A O no hydrogen 2.880 N/A ASN 125.A N ALA 122.A O no hydrogen 3.124 N/A ASN 125.A ND2 ASN 125.A O no hydrogen 2.845 N/A PHE 126.A N LEU 121.A O no hydrogen 3.092 N/A TYR 130.A N GLY 127.A O no hydrogen 2.949 N/A ALA 131.A N GLY 127.A O no hydrogen 3.138 N/A ASN 132.A N ASP 128.A O no hydrogen 2.824 N/A ALA 133.A N LYS 129.A O no hydrogen 3.316 N/A TRP 134.A N TYR 130.A O no hydrogen 3.057 N/A TRP 134.A NE1 SER 20.A OG no hydrogen 2.866 N/A ALA 135.A N ALA 131.A O no hydrogen 2.984 N/A LYS 136.A N ASN 132.A O no hydrogen 3.131 N/A LYS 136.A N ALA 133.A O no hydrogen 3.156 N/A LEU 137.A N ALA 133.A O no hydrogen 3.280 N/A VAL 138.A N TRP 134.A O no hydrogen 2.905 N/A ALA 139.A N ALA 135.A O no hydrogen 2.953 N/A VAL 140.A N LEU 137.A O no hydrogen 3.043 N/A GLN 142.A N VAL 138.A O no hydrogen 3.013 N/A GLN 142.A NE2 ALA 107.A O no hydrogen 2.983 N/A ALA 143.A N ALA 139.A O no hydrogen 3.070 N/A ALA 144.A N VAL 141.A O no hydrogen 2.910 N/A LEU 145.A N GLN 142.A O no hydrogen 3.182 N/A