Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8jja_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 4.A OD2 no hydrogen 3.122 N/A SER 1.A N GLU 48.A OE2 no hydrogen 2.746 N/A SER 1.A OG GLN 3.A OE1 no hydrogen 3.107 N/A TYR 2.A OH GLU 33.A OE2 no hydrogen 2.593 N/A GLN 3.A N GLN 3.A OE1 no hydrogen 2.938 N/A ASP 4.A N SER 1.A O no hydrogen 2.993 N/A TYR 5.A N TYR 2.A O no hydrogen 2.893 N/A ILE 6.A N TYR 2.A O no hydrogen 2.989 N/A ASN 7.A N LEU 102.A O no hydrogen 2.906 N/A ASN 7.A ND2 ASP 101.A O no hydrogen 3.119 N/A CYS 8.A SG ASN 7.A OD1 no hydrogen 4.036 N/A CYS 8.A SG SER 9.A O no hydrogen 3.653 N/A ARG 10.A NE GLU 33.A OE2 no hydrogen 2.845 N/A ARG 10.A NH2 GLU 33.A OE1 no hydrogen 2.848 N/A ALA 12.A N SER 9.A OG no hydrogen 2.958 N/A LEU 13.A N SER 9.A O no hydrogen 2.865 N/A LEU 14.A N ARG 10.A O no hydrogen 2.917 N/A GLU 15.A N GLU 11.A O no hydrogen 3.097 N/A LYS 16.A N ALA 12.A O no hydrogen 3.065 N/A MET 17.A N LEU 13.A O no hydrogen 2.814 N/A ALA 18.A N LEU 14.A O no hydrogen 2.935 N/A GLU 19.A N LYS 16.A O no hydrogen 3.079 N/A LEU 20.A N LYS 16.A O no hydrogen 3.295 N/A LEU 20.A N MET 17.A O no hydrogen 3.020 N/A LEU 21.A N MET 17.A O no hydrogen 2.925 N/A ARG 25.A NH1 ASP 58.A OD2 no hydrogen 3.051 N/A LEU 26.A N PRO 22.A O no hydrogen 3.060 N/A THR 27.A N GLU 23.A O no hydrogen 2.880 N/A THR 27.A OG1 GLU 23.A O no hydrogen 3.023 N/A HIS 28.A N LYS 24.A O no hydrogen 2.962 N/A HIS 28.A ND1 GLU 137.A OE2 no hydrogen 2.689 N/A HIS 28.A NE2 HIS 57.A NE2 no hydrogen 3.134 N/A CYS 29.A N ARG 25.A O no hydrogen 2.936 N/A CYS 29.A SG ARG 25.A O no hydrogen 3.480 N/A LEU 30.A N LEU 26.A O no hydrogen 2.883 N/A GLY 31.A N THR 27.A O no hydrogen 2.917 N/A VAL 32.A N HIS 28.A O no hydrogen 2.857 N/A GLU 33.A N CYS 29.A O no hydrogen 2.909 N/A ARG 34.A N LEU 30.A O no hydrogen 3.162 N/A ALA 35.A N GLY 31.A O no hydrogen 2.915 N/A ALA 36.A N VAL 32.A O no hydrogen 2.795 N/A MET 37.A N GLU 33.A O no hydrogen 3.158 N/A GLU 38.A N ARG 34.A O no hydrogen 3.119 N/A LEU 39.A N ALA 35.A O no hydrogen 2.912 N/A ALA 40.A N ALA 36.A O no hydrogen 2.857 N/A GLN 41.A N MET 37.A O no hydrogen 3.037 N/A ARG 42.A N GLU 38.A O no hydrogen 3.085 N/A ARG 42.A NH1 ALA 152.A O no hydrogen 3.017 N/A PHE 43.A N LEU 39.A O no hydrogen 2.998 N/A VAL 45.A N ALA 40.A O no hydrogen 2.935 N/A GLU 48.A N ASP 46.A OD1 no hydrogen 2.844 N/A LYS 49.A N ASP 46.A OD1 no hydrogen 3.194 N/A LYS 49.A NZ ASP 106.A OD1 no hydrogen 2.955 N/A LYS 49.A NZ ASP 106.A OD2 no hydrogen 3.092 N/A LYS 49.A NZ GLU 108.A OE1 no hydrogen 2.683 N/A ALA 50.A N ASP 46.A O no hydrogen 2.993 N/A SER 51.A N VAL 47.A O no hydrogen 2.887 N/A SER 51.A OG VAL 47.A O no hydrogen 2.730 N/A LEU 52.A N GLU 48.A O no hydrogen 2.998 N/A ALA 53.A N LYS 49.A O no hydrogen 2.951 N/A GLY 54.A N ALA 50.A O no hydrogen 2.844 N/A LEU 55.A N SER 51.A O no hydrogen 2.942 N/A LEU 56.A N LEU 52.A O no hydrogen 2.968 N/A HIS 57.A ND1 GLY 54.A O no hydrogen 2.755 N/A HIS 57.A NE2 HIS 28.A NE2 no hydrogen 3.134 N/A TYR 59.A N LEU 56.A O no hydrogen 2.966 N/A TYR 59.A OH ASP 101.A OD2 no hydrogen 2.666 N/A LYS 61.A N ASP 58.A O no hydrogen 3.041 N/A LYS 61.A NZ ASN 86.A OD1 no hydrogen 2.676 N/A LYS 61.A NZ ASN 87.A OD1 no hydrogen 3.338 N/A LEU 63.A N ALA 60.A O no hydrogen 3.176 N/A SER 64.A N GLU 67.A OE1 no hydrogen 2.947 N/A SER 64.A OG GLU 67.A OE1 no hydrogen 3.295 N/A GLU 67.A N SER 64.A OG no hydrogen 3.101 N/A PHE 68.A N SER 64.A O no hydrogen 3.094 N/A LEU 69.A N ASP 65.A O no hydrogen 2.878 N/A VAL 70.A N GLN 66.A O no hydrogen 2.900 N/A LEU 71.A N GLU 67.A O no hydrogen 3.016 N/A ILE 72.A N PHE 68.A O no hydrogen 2.991 N/A ASP 73.A N LEU 69.A O no hydrogen 3.123 N/A ARG 74.A N VAL 70.A O no hydrogen 2.892 N/A ARG 74.A NH1 GLU 100.A OE2 no hydrogen 2.882 N/A ARG 74.A NH2 GLU 100.A OE2 no hydrogen 3.263 N/A TYR 75.A N LEU 71.A O no hydrogen 2.959 N/A TYR 75.A OH GLU 100.A OE2 no hydrogen 2.532 N/A GLN 76.A N ASP 73.A O no hydrogen 3.114 N/A LEU 77.A N ILE 72.A O no hydrogen 2.905 N/A ASP 80.A N ASP 78.A OD1 no hydrogen 2.864 N/A LEU 81.A N ASP 78.A O no hydrogen 2.937 N/A LYS 82.A N PRO 79.A O no hydrogen 3.126 N/A LYS 82.A NZ ASP 73.A OD1 no hydrogen 2.852 N/A LYS 82.A NZ ASP 73.A OD2 no hydrogen 3.262 N/A ASN 83.A N ASP 80.A O no hydrogen 2.946 N/A ASN 83.A ND2 ASP 80.A OD1 no hydrogen 3.030 N/A TRP 84.A N LEU 81.A O no hydrogen 3.099 N/A TRP 84.A NE1 ASP 80.A OD2 no hydrogen 3.063 N/A ASN 86.A ND2 LYS 61.A O no hydrogen 2.888 N/A TRP 89.A N GLY 85.A O no hydrogen 2.908 N/A TRP 89.A NE1 LEU 81.A O no hydrogen 2.741 N/A HIS 90.A N ASN 86.A O no hydrogen 2.834 N/A HIS 90.A ND1 ASN 86.A O no hydrogen 2.845 N/A MET 92.A N VAL 88.A O no hydrogen 3.229 N/A VAL 93.A N TRP 89.A O no hydrogen 2.767 N/A GLY 94.A N TRP 89.A O no hydrogen 2.868 N/A ILE 95.A N GLY 91.A O no hydrogen 3.378 N/A TYR 96.A N VAL 93.A O no hydrogen 2.976 N/A ILE 98.A N GLY 94.A O no hydrogen 3.033 N/A GLN 99.A N ILE 95.A O no hydrogen 2.899 N/A GLU 100.A N TYR 96.A O no hydrogen 2.951 N/A ASP 101.A N LYS 97.A O no hydrogen 2.888 N/A LEU 102.A N ILE 98.A O no hydrogen 2.877 N/A ASP 103.A N GLN 99.A O no hydrogen 2.885 N/A ILE 109.A N ASP 106.A OD2 no hydrogen 2.986 N/A LEU 110.A N ASP 106.A O no hydrogen 3.047 N/A ARG 111.A N SER 107.A O no hydrogen 2.935 N/A ARG 111.A NH1 GLU 114.A OE2 no hydrogen 2.976 N/A ALA 112.A N GLU 108.A O no hydrogen 3.050 N/A ILE 113.A N ILE 109.A O no hydrogen 3.073 N/A GLU 114.A N LEU 110.A O no hydrogen 2.843 N/A ILE 115.A N ARG 111.A O no hydrogen 3.171 N/A HIS 116.A N ILE 113.A O no hydrogen 3.227 N/A HIS 116.A ND1 ILE 113.A O no hydrogen 2.790 N/A HIS 116.A NE2 HIS 90.A NE2 no hydrogen 3.115 N/A THR 117.A OG1 HIS 116.A NE2 no hydrogen 3.236 N/A GLY 119.A N ILE 115.A O no hydrogen 2.745 N/A GLY 121.A N GLU 184.A OE2 no hydrogen 2.890 N/A THR 124.A N ASP 127.A OD2 no hydrogen 2.829 N/A ASP 127.A N THR 124.A OG1 no hydrogen 3.045 N/A LYS 128.A N THR 124.A O no hydrogen 2.979 N/A LYS 128.A NZ ASP 125.A OD1 no hydrogen 3.424 N/A LYS 128.A NZ ASN 157.A OD1 no hydrogen 2.737 N/A VAL 129.A N ASP 125.A O no hydrogen 2.883 N/A ILE 130.A N LEU 126.A O no hydrogen 3.114 N/A TYR 131.A N ASP 127.A O no hydrogen 3.029 N/A TYR 131.A OH THR 164.A OG1 no hydrogen 2.681 N/A VAL 132.A N LYS 128.A O no hydrogen 2.933 N/A ALA 133.A N VAL 129.A O no hydrogen 2.808 N/A ASP 134.A N ILE 130.A O no hydrogen 3.040 N/A TYR 135.A N VAL 132.A O no hydrogen 2.917 N/A ILE 136.A N VAL 132.A O no hydrogen 3.073 N/A GLU 137.A N ALA 133.A O no hydrogen 3.051 N/A ASN 139.A N GLU 137.A OE1 no hydrogen 2.910 N/A ARG 140.A N GLU 137.A O no hydrogen 2.836 N/A ARG 140.A NH1 ASP 134.A O no hydrogen 2.860 N/A VAL 145.A N PHE 142.A O no hydrogen 3.048 N/A VAL 147.A N GLY 144.A O no hydrogen 2.912 N/A ALA 148.A N GLY 144.A O no hydrogen 3.166 N/A ARG 149.A N VAL 145.A O no hydrogen 2.942 N/A ARG 149.A NE ILE 136.A O no hydrogen 2.972 N/A ARG 149.A NH2 ILE 136.A O no hydrogen 3.182 N/A ARG 149.A NH2 GLU 137.A O no hydrogen 2.940 N/A ARG 149.A NH2 ARG 140.A O no hydrogen 3.024 N/A GLU 150.A N ASP 146.A O no hydrogen 3.009 N/A ILE 151.A N VAL 147.A O no hydrogen 2.910 N/A ALA 152.A N ALA 148.A O no hydrogen 2.930 N/A SER 153.A N ARG 149.A O no hydrogen 3.128 N/A SER 153.A N GLU 150.A O no hydrogen 3.066 N/A SER 153.A OG GLU 150.A O no hydrogen 2.583 N/A LEU 154.A N ILE 151.A O no hydrogen 2.970 N/A SER 155.A N ILE 151.A O no hydrogen 2.906 N/A LYS 158.A N SER 155.A OG no hydrogen 3.016 N/A ALA 159.A N SER 155.A O no hydrogen 3.045 N/A VAL 160.A N LEU 156.A O no hydrogen 2.956 N/A ALA 161.A N ASN 157.A O no hydrogen 2.999 N/A TYR 162.A N LYS 158.A O no hydrogen 2.859 N/A GLU 163.A N ALA 159.A O no hydrogen 2.949 N/A THR 164.A N VAL 160.A O no hydrogen 2.875 N/A THR 164.A OG1 TYR 131.A OH no hydrogen 2.681 N/A THR 164.A OG1 VAL 160.A O no hydrogen 2.718 N/A ALA 165.A N ALA 161.A O no hydrogen 2.945 N/A ARG 166.A N TYR 162.A O no hydrogen 2.951 N/A ARG 166.A NE GLU 169.A OE1 no hydrogen 3.044 N/A ARG 166.A NH2 GLU 169.A OE1 no hydrogen 2.839 N/A THR 167.A N GLU 163.A O no hydrogen 2.964 N/A THR 167.A OG1 GLU 163.A O no hydrogen 2.994 N/A VAL 168.A N THR 164.A O no hydrogen 2.922 N/A GLU 169.A N ALA 165.A O no hydrogen 2.899 N/A TYR 170.A N ARG 166.A O no hydrogen 2.893 N/A LEU 171.A N THR 167.A O no hydrogen 2.861 N/A ALA 172.A N VAL 168.A O no hydrogen 3.056 N/A HIS 173.A N GLU 169.A O no hydrogen 2.870 N/A GLN 174.A N TYR 170.A O no hydrogen 2.844 N/A GLY 175.A N ALA 172.A O no hydrogen 3.239 N/A PHE 176.A N LEU 171.A O no hydrogen 2.948 N/A GLN 181.A NE2 GLY 119.A O no hydrogen 2.875 N/A THR 182.A N TYR 179.A O no hydrogen 2.856 N/A GLU 184.A N PRO 180.A O no hydrogen 3.120 N/A THR 185.A N GLN 181.A O no hydrogen 3.014 N/A THR 185.A OG1 VAL 118.A O no hydrogen 2.913 N/A THR 185.A OG1 GLN 181.A O no hydrogen 3.060 N/A TYR 186.A N THR 182.A O no hydrogen 2.883 N/A ASN 187.A N LEU 183.A O no hydrogen 2.835 N/A ALA 188.A N GLU 184.A O no hydrogen 3.071 N/A PHE 189.A N THR 185.A O no hydrogen 2.999 N/A PHE 189.A N TYR 186.A O no hydrogen 3.288 N/A VAL 190.A N TYR 186.A O no hydrogen 2.918 N/A TYR 192.A N PHE 189.A O no hydrogen 2.934 N/A LEU 193.A N VAL 190.A O no hydrogen 3.051 N/A LYS 194.A N HIS 191.A O no hydrogen 3.414 N/A