Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2auq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N SER 1.A O no hydrogen 3.022 N/A ALA 6.A N VAL 2.A O no hydrogen 2.888 N/A ALA 7.A N TYR 3.A O no hydrogen 3.130 N/A ALA 7.A N ASP 4.A O no hydrogen 3.148 N/A GLN 8.A N ALA 5.A O no hydrogen 3.063 N/A LEU 9.A N ALA 6.A O no hydrogen 3.246 N/A THR 10.A N GLN 8.A O no hydrogen 2.936 N/A LYS 14.A N THR 10.A O no hydrogen 2.943 N/A LYS 15.A N.A ALA 11.A O no hydrogen 3.083 N/A LYS 15.A N.B ALA 11.A O no hydrogen 3.081 N/A LYS 15.A NZ.A ASP 19.A OD1 no hydrogen 3.030 N/A LYS 15.A NZ.A ASP 19.A OD2 no hydrogen 3.311 N/A LYS 15.A NZ.B ASP 19.A OD2 no hydrogen 2.822 N/A ASP 16.A N ASP 12.A O no hydrogen 3.135 N/A LEU 17.A N VAL 13.A O no hydrogen 2.986 N/A ARG 18.A N LYS 14.A O no hydrogen 2.966 N/A ARG 18.A NH1 ILE 80.A O no hydrogen 3.498 N/A ASP 19.A N LYS 15.A O.A no hydrogen 2.892 N/A ASP 19.A N LYS 15.A O.B no hydrogen 2.883 N/A SER 20.A N ASP 16.A O no hydrogen 3.112 N/A SER 20.A OG ASP 16.A O no hydrogen 2.796 N/A SER 20.A OG LEU 17.A O no hydrogen 3.132 N/A TRP 21.A N LEU 17.A O no hydrogen 2.909 N/A TRP 21.A NE1 GLN 77.A OE1 no hydrogen 2.764 N/A LYS 22.A N ARG 18.A O no hydrogen 3.056 N/A VAL 23.A N SER 20.A O no hydrogen 3.185 N/A ILE 24.A N SER 20.A O no hydrogen 3.075 N/A GLY 25.A N TRP 21.A O no hydrogen 2.679 N/A SER 26.A N VAL 23.A O no hydrogen 3.289 N/A SER 26.A OG VAL 23.A O no hydrogen 2.565 N/A LYS 28.A NZ GLY 25.A O no hydrogen 2.873 N/A LYS 28.A NZ GLN 77.A OE1 no hydrogen 3.570 N/A GLY 30.A N ASP 27.A OD1 no hydrogen 3.107 N/A ASN 31.A N ASP 27.A O no hydrogen 2.988 N/A ASN 31.A ND2 ILE 24.A O no hydrogen 2.793 N/A GLY 32.A N LYS 28.A O no hydrogen 2.831 N/A VAL 33.A N LYS 29.A O no hydrogen 3.151 N/A ALA 34.A N GLY 30.A O no hydrogen 3.006 N/A LEU 35.A N ASN 31.A O no hydrogen 2.984 N/A MET 36.A N GLY 32.A O no hydrogen 3.279 N/A THR 37.A N VAL 33.A O no hydrogen 2.880 N/A THR 37.A OG1 VAL 33.A O no hydrogen 2.947 N/A THR 37.A OG1 ALA 34.A O no hydrogen 3.060 N/A THR 38.A N ALA 34.A O no hydrogen 3.019 N/A THR 38.A OG1 ALA 34.A O no hydrogen 2.692 N/A LEU 39.A N LEU 35.A O no hydrogen 2.972 N/A PHE 40.A N MET 36.A O no hydrogen 2.959 N/A ALA 41.A N THR 37.A O no hydrogen 2.956 N/A ASP 42.A N THR 38.A O no hydrogen 2.870 N/A ASN 43.A N LEU 39.A O no hydrogen 2.835 N/A ASN 43.A ND2 GLU 45.A OE2 no hydrogen 3.386 N/A GLU 45.A N GLU 45.A OE1 no hydrogen 2.692 N/A THR 46.A N ASN 43.A O no hydrogen 3.021 N/A THR 46.A OG1 ASN 43.A O no hydrogen 2.781 N/A ILE 47.A N GLN 44.A O no hydrogen 3.228 N/A TYR 49.A N THR 46.A O no hydrogen 3.069 N/A TYR 49.A OH GLU 109.A OE1 no hydrogen 2.462 N/A PHE 50.A N ILE 47.A O no hydrogen 2.908 N/A LEU 53.A N PHE 50.A O no hydrogen 3.004 N/A GLY 54.A N LYS 51.A O no hydrogen 3.178 N/A SER 57.A N ASP 55.A OD1 no hydrogen 3.130 N/A SER 57.A OG ASP 55.A OD1 no hydrogen 2.551 N/A GLN 58.A N ASP 55.A O no hydrogen 3.348 N/A GLY 59.A N VAL 56.A O no hydrogen 3.091 N/A ALA 61.A N GLN 58.A O no hydrogen 3.199 N/A ASN 62.A N GLY 59.A O no hydrogen 2.902 N/A ASN 62.A ND2 LEU 53.A O no hydrogen 2.812 N/A ASN 62.A ND2 ASP 55.A O no hydrogen 2.955 N/A LEU 65.A N ASN 62.A OD1 no hydrogen 2.851 N/A ARG 66.A N ASN 62.A O no hydrogen 2.905 N/A ARG 66.A NH1 MET 60.A O no hydrogen 3.297 N/A ARG 66.A NH1 ASP 63.A OD1 no hydrogen 2.906 N/A ARG 66.A NH2 ASP 63.A OD1 no hydrogen 3.176 N/A GLY 67.A N ASP 63.A O no hydrogen 2.910 N/A HIS 68.A N LYS 64.A O no hydrogen 2.948 N/A SER 69.A N LEU 65.A O no hydrogen 2.823 N/A SER 69.A OG LEU 65.A O no hydrogen 2.786 N/A ILE 70.A N.A ARG 66.A O no hydrogen 3.016 N/A ILE 70.A N.B ARG 66.A O no hydrogen 3.008 N/A THR 71.A N GLY 67.A O no hydrogen 3.232 N/A THR 71.A OG1 GLY 67.A O no hydrogen 2.859 N/A LEU 72.A N HIS 68.A O no hydrogen 2.975 N/A MET 73.A N SER 69.A O no hydrogen 3.220 N/A TYR 74.A N ILE 70.A O.A no hydrogen 3.227 N/A TYR 74.A N ILE 70.A O.B no hydrogen 3.250 N/A TYR 74.A N THR 71.A O no hydrogen 3.115 N/A ALA 75.A N THR 71.A O no hydrogen 3.238 N/A ALA 75.A N LEU 72.A O no hydrogen 2.949 N/A LEU 76.A N LEU 72.A O no hydrogen 3.227 N/A GLN 77.A N MET 73.A O no hydrogen 2.977 N/A GLN 77.A NE2 GLN 77.A O no hydrogen 3.591 N/A GLN 77.A NE2 ASP 81.A OD1 no hydrogen 3.302 N/A GLN 77.A NE2 ASP 81.A OD2 no hydrogen 3.349 N/A ASN 78.A N TYR 74.A O no hydrogen 3.029 N/A PHE 79.A N ALA 75.A O no hydrogen 3.049 N/A ILE 80.A N LEU 76.A O no hydrogen 2.981 N/A ASP 81.A N GLN 77.A O no hydrogen 2.985 N/A GLN 82.A N ASN 78.A O no hydrogen 3.146 N/A GLN 82.A N PHE 79.A O no hydrogen 3.078 N/A GLN 82.A NE2 ASN 78.A O no hydrogen 3.450 N/A GLN 82.A NE2 ASN 78.A OD1 no hydrogen 3.306 N/A LEU 83.A N ILE 80.A O no hydrogen 3.261 N/A ASN 85.A N GLN 82.A O no hydrogen 3.148 N/A ASP 88.A N ASN 85.A O no hydrogen 3.016 N/A ASP 88.A N ASN 85.A OD1 no hydrogen 3.107 N/A LEU 89.A N.A ASN 85.A O no hydrogen 2.967 N/A LEU 89.A N.B ASN 85.A O no hydrogen 2.961 N/A VAL 90.A N PRO 86.A O no hydrogen 3.008 N/A CYS 91.A N ASP 87.A O no hydrogen 3.427 N/A CYS 91.A SG ASP 87.A O no hydrogen 4.022 N/A CYS 91.A SG ASP 88.A O no hydrogen 3.268 N/A VAL 92.A N ASP 88.A O no hydrogen 3.244 N/A VAL 93.A N LEU 89.A O.A no hydrogen 2.980 N/A VAL 93.A N LEU 89.A O.B no hydrogen 3.033 N/A GLU 94.A N VAL 90.A O no hydrogen 2.880 N/A LYS 95.A N CYS 91.A O no hydrogen 3.261 N/A VAL 96.A N VAL 92.A O no hydrogen 3.176 N/A ALA 97.A N VAL 93.A O no hydrogen 2.823 N/A VAL 98.A N GLU 94.A O no hydrogen 3.013 N/A HIS 100.A N ALA 97.A O no hydrogen 2.912 N/A HIS 100.A ND1 VAL 96.A O no hydrogen 2.787 N/A ILE 101.A N ALA 97.A O no hydrogen 2.839 N/A THR 102.A N VAL 98.A O no hydrogen 3.145 N/A THR 102.A OG1 VAL 98.A O no hydrogen 3.299 N/A THR 102.A OG1 ASN 99.A O no hydrogen 3.052 N/A ARG 103.A N HIS 100.A O no hydrogen 3.057 N/A ARG 103.A NH1 ASN 99.A O no hydrogen 3.043 N/A LYS 104.A N ILE 101.A O no hydrogen 2.969 N/A ILE 105.A N HIS 100.A O no hydrogen 2.928 N/A GLU 109.A N SER 106.A OG no hydrogen 3.250 N/A PHE 110.A N SER 106.A O no hydrogen 2.903 N/A GLY 111.A N ALA 107.A O no hydrogen 3.008 N/A LYS 112.A N GLU 109.A O no hydrogen 3.047 N/A LYS 112.A NZ GLU 45.A OE2 no hydrogen 2.689 N/A LYS 112.A NZ GLU 109.A OE2 no hydrogen 3.072 N/A ILE 113.A N PHE 110.A O no hydrogen 3.221 N/A ASN 114.A N GLY 111.A O no hydrogen 3.113 N/A ILE 117.A N ILE 113.A O no hydrogen 3.041 N/A LYS 118.A N ASN 114.A O no hydrogen 2.927 N/A LYS 119.A N GLY 115.A O no hydrogen 3.082 N/A LYS 119.A NZ ASP 42.A OD1 no hydrogen 3.199 N/A LYS 119.A NZ ASP 42.A OD2 no hydrogen 2.773 N/A VAL 120.A N PRO 116.A O no hydrogen 2.864 N/A LEU 121.A N ILE 117.A O no hydrogen 2.886 N/A ALA 122.A N LYS 118.A O no hydrogen 2.923 N/A SER 123.A N LYS 119.A O no hydrogen 3.045 N/A SER 123.A OG VAL 120.A O no hydrogen 2.618 N/A LYS 124.A N LEU 121.A O no hydrogen 2.898 N/A ASN 125.A N ALA 122.A O no hydrogen 3.007 N/A PHE 126.A N LEU 121.A O no hydrogen 2.992 N/A TYR 130.A N GLY 127.A O no hydrogen 2.923 N/A ALA 131.A N GLY 127.A O no hydrogen 3.178 N/A ASN 132.A N ASP 128.A O no hydrogen 2.801 N/A ALA 133.A N LYS 129.A O no hydrogen 3.307 N/A TRP 134.A N TYR 130.A O no hydrogen 3.038 N/A TRP 134.A NE1 SER 20.A OG no hydrogen 2.861 N/A ALA 135.A N ALA 131.A O no hydrogen 2.932 N/A LYS 136.A N ASN 132.A O no hydrogen 3.232 N/A LYS 136.A N ALA 133.A O no hydrogen 3.174 N/A VAL 138.A N TRP 134.A O no hydrogen 2.933 N/A ALA 139.A N ALA 135.A O no hydrogen 2.940 N/A VAL 140.A N LEU 137.A O no hydrogen 3.033 N/A GLN 142.A N VAL 138.A O no hydrogen 3.021 N/A GLN 142.A NE2 ALA 107.A O no hydrogen 2.818 N/A ALA 143.A N ALA 139.A O no hydrogen 3.068 N/A ALA 144.A N VAL 141.A O no hydrogen 2.904 N/A LEU 145.A N GLN 142.A O no hydrogen 3.101 N/A