Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2jex_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A OG1 GLU 4.A OE1 no hydrogen 3.004 N/A ARG 5.A N THR 1.A O no hydrogen 2.910 N/A LEU 6.A N ALA 2.A O no hydrogen 3.202 N/A HIS 7.A N CYS 3.A O no hydrogen 3.239 N/A VAL 8.A N GLU 4.A O no hydrogen 3.063 N/A ALA 9.A N ARG 5.A O no hydrogen 3.017 N/A GLN 10.A N LEU 6.A O no hydrogen 3.004 N/A GLN 10.A NE2 GLU 37.A OE2 no hydrogen 3.016 N/A GLU 11.A N HIS 7.A O no hydrogen 2.929 N/A THR 12.A N VAL 8.A O no hydrogen 2.818 N/A THR 12.A OG1 VAL 8.A O no hydrogen 2.728 N/A GLN 13.A N ALA 9.A O no hydrogen 3.422 N/A GLN 13.A NE2 ALA 9.A O no hydrogen 2.818 N/A GLN 13.A NE2 GLU 37.A OE1 no hydrogen 2.751 N/A MET 14.A N GLN 10.A O no hydrogen 3.121 N/A GLN 15.A N GLU 11.A O no hydrogen 2.858 N/A LEU 16.A N THR 12.A O no hydrogen 2.988 N/A ILE 17.A N GLN 13.A O no hydrogen 2.975 N/A GLU 18.A N MET 14.A O no hydrogen 3.385 N/A LYS 19.A N GLN 15.A O no hydrogen 3.135 N/A SER 20.A N LEU 16.A O no hydrogen 2.964 N/A SER 21.A OG ASP 26.A OD1 no hydrogen 2.643 N/A LYS 23.A N SER 21.A OG no hydrogen 3.023 N/A ASP 26.A N LYS 23.A O no hydrogen 3.244 N/A HIS 27.A N LEU 24.A O no hydrogen 3.084 N/A HIS 27.A NE2 TRP 90.A O no hydrogen 2.590 N/A ILE 28.A N LEU 24.A O no hydrogen 2.947 N/A LEU 29.A N GLN 25.A O no hydrogen 2.988 N/A TYR 30.A N ASP 26.A O no hydrogen 2.904 N/A TRP 31.A N HIS 27.A O no hydrogen 2.970 N/A TRP 31.A NE1 THR 95.A O no hydrogen 2.817 N/A THR 32.A N ILE 28.A O no hydrogen 3.016 N/A THR 32.A OG1 ILE 28.A O no hydrogen 3.325 N/A THR 32.A OG1 LEU 29.A O no hydrogen 2.545 N/A ALA 33.A N LEU 29.A O no hydrogen 3.130 N/A VAL 34.A N TYR 30.A O no hydrogen 3.034 N/A ARG 35.A N TRP 31.A O no hydrogen 2.946 N/A ARG 35.A NH1 GLN 74.A OE1 no hydrogen 2.903 N/A THR 36.A N THR 32.A O no hydrogen 3.050 N/A THR 36.A OG1 THR 32.A O no hydrogen 2.769 N/A GLU 37.A N ALA 33.A O no hydrogen 3.035 N/A ASN 38.A N VAL 34.A O no hydrogen 3.110 N/A ASN 38.A ND2 VAL 34.A O no hydrogen 2.816 N/A THR 39.A N ARG 35.A O no hydrogen 2.848 N/A THR 39.A OG1 ARG 35.A O no hydrogen 2.624 N/A LEU 40.A N THR 36.A O no hydrogen 2.957 N/A LEU 41.A N GLU 37.A O no hydrogen 3.042 N/A TYR 42.A N ASN 38.A O no hydrogen 2.970 N/A ALA 43.A N THR 39.A O no hydrogen 2.853 N/A ALA 44.A N LEU 40.A O no hydrogen 2.785 N/A ARG 45.A N LEU 41.A O no hydrogen 2.992 N/A ARG 45.A NH1 VAL 49.A O no hydrogen 2.954 N/A LYS 46.A N TYR 42.A O no hydrogen 3.089 N/A LYS 47.A N ALA 44.A O no hydrogen 3.096 N/A LYS 47.A NZ ALA 43.A O no hydrogen 2.729 N/A GLY 48.A N ARG 45.A O no hydrogen 2.936 N/A VAL 49.A N ALA 44.A O no hydrogen 2.906 N/A LEU 52.A N CYS 55.A O no hydrogen 3.015 N/A CYS 55.A N LEU 52.A O no hydrogen 3.464 N/A CYS 55.A SG LEU 52.A O no hydrogen 3.510 N/A VAL 57.A N THR 50.A O no hydrogen 2.872 N/A VAL 61.A N HIS 59.A ND1 no hydrogen 3.149 N/A VAL 62.A N HIS 59.A O no hydrogen 2.905 N/A CYS 63.A N HIS 59.A O no hydrogen 3.072 N/A CYS 63.A SG PRO 58.A O no hydrogen 3.536 N/A CYS 63.A SG HIS 59.A O no hydrogen 3.788 N/A GLN 64.A N SER 60.A O no hydrogen 2.822 N/A GLU 65.A N VAL 61.A O no hydrogen 3.163 N/A ARG 66.A N VAL 62.A O no hydrogen 3.002 N/A ALA 67.A N CYS 63.A O no hydrogen 3.015 N/A LYS 68.A N GLN 64.A O no hydrogen 3.116 N/A LYS 68.A NZ GLU 65.A OE1 no hydrogen 3.339 N/A GLN 69.A N GLU 65.A O no hydrogen 2.878 N/A ALA 70.A N ARG 66.A O no hydrogen 3.159 N/A ILE 71.A N ALA 67.A O no hydrogen 2.803 N/A GLU 72.A N LYS 68.A O no hydrogen 3.051 N/A MET 73.A N GLN 69.A O no hydrogen 2.948 N/A GLN 74.A N ALA 70.A O no hydrogen 2.822 N/A GLN 74.A NE2 GLN 78.A OE1 no hydrogen 2.956 N/A LEU 75.A N ILE 71.A O no hydrogen 2.929 N/A SER 76.A N GLU 72.A O no hydrogen 3.075 N/A SER 76.A OG GLU 72.A O no hydrogen 2.777 N/A LEU 77.A N MET 73.A O no hydrogen 2.818 N/A GLN 78.A N GLN 74.A O no hydrogen 2.885 N/A GLU 79.A N LEU 75.A O no hydrogen 3.026 N/A LEU 80.A N SER 76.A O no hydrogen 2.996 N/A SER 81.A N LEU 77.A O no hydrogen 3.067 N/A SER 81.A OG GLN 78.A O no hydrogen 2.705 N/A LYS 82.A N GLU 79.A O no hydrogen 3.085 N/A THR 83.A N LEU 80.A O no hydrogen 2.887 N/A THR 83.A OG1 LEU 80.A O no hydrogen 2.633 N/A PHE 85.A N THR 83.A OG1 no hydrogen 3.069 N/A GLY 86.A N THR 83.A O no hydrogen 3.218 N/A GLU 88.A N PHE 85.A O no hydrogen 3.249 N/A TRP 90.A N ASP 22.A O no hydrogen 2.711 N/A TRP 90.A NE1 PHE 85.A O no hydrogen 3.207 N/A SER 91.A N ASP 94.A OD2 no hydrogen 2.760 N/A SER 91.A OG ASP 94.A OD2 no hydrogen 2.707 N/A ASP 94.A N SER 91.A OG no hydrogen 3.272 N/A THR 95.A N SER 91.A O no hydrogen 3.329 N/A THR 95.A N LEU 92.A O no hydrogen 3.182 N/A THR 95.A OG1 SER 91.A O no hydrogen 2.688 N/A THR 95.A OG1 LEU 92.A O no hydrogen 3.233 N/A SER 96.A N LEU 93.A O no hydrogen 3.248 N/A SER 96.A OG LEU 93.A O no hydrogen 2.760 N/A ARG 99.A NH1 ASP 94.A OD1 no hydrogen 3.111 N/A ARG 99.A NH1 LYS 109.A O no hydrogen 2.539 N/A TYR 100.A N SER 96.A O no hydrogen 3.025 N/A TYR 100.A OH GLU 72.A OE2 no hydrogen 2.816 N/A MET 101.A N TRP 97.A O no hydrogen 2.824 N/A SER 102.A N ASP 98.A O no hydrogen 2.764 N/A SER 102.A OG ASP 98.A O no hydrogen 2.656 N/A ARG 106.A N TYR 100.A O no hydrogen 2.917 N/A ARG 106.A NH2 GLU 72.A OE1 no hydrogen 3.017 N/A CYS 107.A N TYR 100.A O no hydrogen 3.376 N/A CYS 107.A SG PRO 104.A O no hydrogen 3.313 N/A PHE 108.A N TYR 136.A O no hydrogen 3.220 N/A LYS 109.A NZ SER 102.A O no hydrogen 3.236 N/A LYS 109.A NZ PRO 104.A O no hydrogen 2.659 N/A LYS 109.A NZ CYS 107.A O no hydrogen 2.707 N/A LYS 110.A N ASN 134.A O no hydrogen 2.879 N/A LYS 110.A NZ GLU 88.A OE2 no hydrogen 3.134 N/A LYS 110.A NZ PRO 89.A O no hydrogen 2.602 N/A ARG 113.A N VAL 131.A O no hydrogen 2.786 N/A ARG 113.A NE ASP 188.A OD1 no hydrogen 2.841 N/A ARG 113.A NH2 ALA 148.A O no hydrogen 3.292 N/A ARG 113.A NH2 ASP 188.A OD1 no hydrogen 3.201 N/A ARG 113.A NH2 ASP 188.A OD2 no hydrogen 3.190 N/A VAL 115.A N TYR 129.A O no hydrogen 2.630 N/A GLU 116.A N ARG 187.A O no hydrogen 2.961 N/A VAL 117.A N ASN 127.A O no hydrogen 2.742 N/A GLU 118.A N SER 185.A O no hydrogen 2.953 N/A PHE 119.A N ASN 125.A O no hydrogen 2.667 N/A ASN 122.A ND2 SER 124.A OG no hydrogen 2.809 N/A ASN 125.A N ASN 122.A O no hydrogen 2.642 N/A ASN 125.A ND2 PHE 178.A O no hydrogen 3.161 N/A THR 126.A OG1 ALA 123.A O no hydrogen 3.381 N/A ASN 127.A N VAL 117.A O no hydrogen 2.828 N/A TYR 129.A N VAL 115.A O no hydrogen 2.717 N/A TYR 129.A OH GLU 174.A OE2 no hydrogen 2.923 N/A VAL 131.A N ARG 113.A O no hydrogen 2.746 N/A SER 133.A N GLY 111.A O no hydrogen 2.738 N/A SER 133.A OG GLY 111.A O no hydrogen 3.516 N/A ASN 134.A N LYS 110.A O no hydrogen 2.924 N/A LEU 135.A N ALA 146.A O no hydrogen 2.740 N/A TYR 136.A N PHE 108.A O no hydrogen 2.846 N/A TYR 136.A OH GLU 88.A OE2 no hydrogen 2.610 N/A MET 137.A N GLN 144.A O no hydrogen 3.071 N/A ARG 138.A NH1 GLU 79.A OE2 no hydrogen 3.100 N/A THR 139.A N GLY 142.A O no hydrogen 2.762 N/A TRP 143.A NE1 GLU 79.A OE2 no hydrogen 3.017 N/A GLN 144.A N MET 137.A O no hydrogen 2.955 N/A ALA 146.A N LEU 135.A O no hydrogen 2.645 N/A GLY 149.A N TYR 156.A O no hydrogen 3.037 N/A ASP 151.A N GLY 154.A O no hydrogen 3.108 N/A THR 153.A N ASP 151.A OD2 no hydrogen 2.877 N/A GLY 154.A N ASP 151.A OD2 no hydrogen 3.147 N/A LEU 155.A N SER 169.A O no hydrogen 3.256 N/A TYR 156.A N GLY 149.A O no hydrogen 3.012 N/A TYR 157.A N ILE 166.A O no hydrogen 2.872 N/A CYS 158.A N LYS 147.A O no hydrogen 3.252 N/A CYS 158.A SG LYS 147.A O no hydrogen 3.980 N/A ARG 165.A NH1 ASP 151.A OD1 no hydrogen 2.694 N/A ILE 166.A N TYR 157.A O no hydrogen 2.686 N/A TYR 167.A OH ASP 151.A OD1 no hydrogen 2.523 N/A TYR 168.A N LEU 155.A O no hydrogen 2.960 N/A SER 169.A N LEU 155.A O no hydrogen 3.241 N/A PHE 171.A N THR 153.A O no hydrogen 2.683 N/A ASP 173.A N ALA 170.A O no hydrogen 3.180 N/A GLU 174.A N ALA 170.A O no hydrogen 3.426 N/A ALA 175.A N PHE 171.A O no hydrogen 2.829 N/A ALA 176.A N GLY 172.A O no hydrogen 3.210 N/A ARG 177.A N GLU 174.A O no hydrogen 3.035 N/A PHE 178.A N GLU 174.A O no hydrogen 2.972 N/A SER 179.A N ALA 175.A O no hydrogen 3.017 N/A SER 179.A OG ALA 175.A O no hydrogen 2.682 N/A THR 180.A N ASP 120.A OD1 no hydrogen 3.278 N/A THR 180.A N ASP 120.A OD2 no hydrogen 2.708 N/A THR 180.A OG1 ASP 120.A OD2 no hydrogen 2.863 N/A THR 181.A N ASP 120.A OD1 no hydrogen 2.992 N/A THR 181.A OG1 ASP 120.A OD1 no hydrogen 2.321 N/A GLY 182.A N SER 179.A OG no hydrogen 3.002 N/A TYR 184.A N GLY 195.A O no hydrogen 3.089 N/A TYR 184.A OH GLY 152.A O no hydrogen 2.625 N/A SER 185.A N GLU 118.A O no hydrogen 2.902 N/A VAL 186.A N TYR 193.A O no hydrogen 2.801 N/A ARG 187.A N GLU 116.A O no hydrogen 2.884 N/A ASP 188.A N ARG 191.A O no hydrogen 3.299 N/A TYR 193.A N VAL 186.A O no hydrogen 2.771 N/A GLY 195.A N TYR 184.A O no hydrogen 3.077 N/A SER 197.A N GLY 182.A O no hydrogen 3.122 N/A SER 197.A OG GLY 172.A O no hydrogen 3.413 N/A SER 197.A OG GLY 182.A O no hydrogen 3.448 N/A