Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xsq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 1.A SG PRO 2.A O no hydrogen 3.757 N/A CYS 1.A SG CYS 5.A O no hydrogen 3.648 N/A CYS 5.A N PRO 2.A O no hydrogen 3.005 N/A LYS 6.A N ALA 17.A O no hydrogen 2.879 N/A THR 8.A N VAL 15.A O no hydrogen 3.031 N/A SER 10.A N GLU 14.A O no hydrogen 2.902 N/A SER 10.A OG GLU 14.A O no hydrogen 3.479 N/A TYR 12.A N SER 10.A OG no hydrogen 3.114 N/A GLY 13.A N SER 10.A O no hydrogen 2.934 N/A GLU 14.A N SER 10.A OG no hydrogen 3.103 N/A VAL 16.A N TYR 35.A O no hydrogen 2.764 N/A ALA 17.A N LYS 6.A O no hydrogen 2.799 N/A CYS 18.A N VAL 37.A O no hydrogen 2.797 N/A GLY 20.A N LYS 39.A O no hydrogen 3.014 N/A LEU 22.A N ASN 41.A OD1 no hydrogen 2.886 N/A HIS 31.A ND1 GLY 53.A O no hydrogen 2.683 N/A ARG 32.A NH1 GLY 13.A O no hydrogen 2.997 N/A ALA 33.A N PRO 30.A O no hydrogen 2.955 N/A LEU 36.A N GLY 59.A O no hydrogen 2.951 N/A VAL 37.A N VAL 16.A O no hydrogen 2.860 N/A LEU 38.A N ASP 61.A O no hydrogen 2.734 N/A ASP 40.A N SER 63.A O no hydrogen 2.965 N/A ASN 41.A ND2 CYS 18.A O no hydrogen 2.886 N/A ASN 41.A ND2 LEU 38.A O no hydrogen 3.043 N/A ASN 42.A N LEU 22.A O no hydrogen 2.677 N/A ASN 42.A ND2 GLY 21.A O no hydrogen 3.099 N/A ILE 43.A N ASN 65.A OD1 no hydrogen 3.008 N/A LYS 45.A NZ ASN 68.A OD1 no hydrogen 2.773 N/A ILE 46.A N HIS 69.A O no hydrogen 3.007 N/A THR 47.A N SER 50.A OG no hydrogen 2.774 N/A THR 47.A OG1 SER 50.A OG no hydrogen 3.198 N/A TYR 49.A N THR 47.A OG1 no hydrogen 3.195 N/A SER 50.A N THR 47.A O no hydrogen 3.212 N/A SER 50.A OG THR 47.A O no hydrogen 3.535 N/A SER 50.A OG THR 47.A OG1 no hydrogen 3.198 N/A LYS 52.A N TYR 49.A O no hydrogen 3.048 N/A LEU 54.A N PHE 51.A O no hydrogen 2.979 N/A ASN 56.A ND2 HIS 31.A O no hydrogen 2.961 N/A LEU 57.A N LEU 54.A O no hydrogen 3.219 N/A GLN 58.A N VAL 34.A O no hydrogen 2.736 N/A GLY 59.A N VAL 34.A O no hydrogen 3.155 N/A ILE 60.A N ASP 83.A O no hydrogen 3.030 N/A ASP 61.A N LEU 36.A O no hydrogen 2.890 N/A LEU 62.A N ASP 85.A O no hydrogen 2.809 N/A SER 63.A N ASP 61.A OD1 no hydrogen 2.970 N/A SER 63.A OG ASP 61.A OD1 no hydrogen 2.670 N/A ASN 64.A N SER 87.A O no hydrogen 2.970 N/A ASN 64.A ND2 ASP 40.A OD1 no hydrogen 2.897 N/A ASN 65.A ND2 LEU 38.A O no hydrogen 2.907 N/A ASN 65.A ND2 LEU 62.A O no hydrogen 3.134 N/A ASN 65.A ND2 SER 63.A O no hydrogen 3.252 N/A LYS 66.A N ILE 43.A O no hydrogen 2.831 N/A ILE 67.A N ASN 89.A OD1 no hydrogen 2.948 N/A ASN 68.A N THR 44.A O no hydrogen 2.935 N/A SER 71.A N ILE 46.A O no hydrogen 2.891 N/A ALA 73.A N SER 71.A OG no hydrogen 3.062 N/A ALA 74.A N SER 71.A O no hydrogen 3.074 N/A ARG 76.A N ALA 73.A O no hydrogen 3.204 N/A ARG 76.A NH2 SER 48.A O no hydrogen 2.890 N/A ARG 76.A NH2 ALA 73.A O no hydrogen 2.730 N/A LEU 78.A N LEU 75.A O no hydrogen 3.080 N/A ASP 82.A N GLN 58.A O no hydrogen 2.737 N/A ASP 83.A N GLN 58.A O no hydrogen 3.168 N/A ILE 84.A N PHE 114.A O no hydrogen 3.008 N/A ASP 85.A N ILE 60.A O no hydrogen 2.950 N/A LEU 86.A N TYR 116.A O no hydrogen 2.809 N/A SER 87.A N ASP 85.A OD1 no hydrogen 2.911 N/A SER 87.A OG ASP 85.A OD1 no hydrogen 2.505 N/A ARG 88.A N ALA 118.A O no hydrogen 2.830 N/A ASN 89.A ND2 LEU 62.A O no hydrogen 2.955 N/A ASN 89.A ND2 LEU 86.A O no hydrogen 3.088 N/A GLU 90.A N ILE 67.A O no hydrogen 2.792 N/A LEU 91.A N ASN 120.A OD1 no hydrogen 3.055 N/A LEU 98.A N SER 95.A O no hydrogen 3.234 N/A LEU 98.A N SER 95.A OG no hydrogen 3.111 N/A PHE 99.A N GLU 96.A O no hydrogen 3.301 N/A ASP 100.A N LYS 97.A O no hydrogen 3.212 N/A ILE 103.A N PHE 99.A O no hydrogen 3.037 N/A SER 104.A N ASP 100.A O no hydrogen 2.929 N/A SER 104.A OG ASP 100.A O no hydrogen 3.004 N/A SER 105.A N PHE 101.A O no hydrogen 2.869 N/A SER 105.A OG PHE 101.A O no hydrogen 2.953 N/A ALA 106.A N PRO 102.A O no hydrogen 2.931 N/A LYS 107.A N ILE 103.A O no hydrogen 2.975 N/A ALA 108.A N SER 104.A O no hydrogen 2.975 N/A GLN 109.A N SER 105.A O no hydrogen 2.904 N/A GLN 109.A NE2 GLY 79.A O no hydrogen 2.869 N/A GLY 110.A N LYS 107.A O no hydrogen 3.120 N/A ARG 111.A N ALA 106.A O no hydrogen 2.944 N/A ARG 111.A NE GLN 109.A OE1 no hydrogen 2.718 N/A ARG 111.A NH1 LEU 81.A O no hydrogen 2.913 N/A ARG 111.A NH1 ARG 112.A O no hydrogen 3.505 N/A ARG 111.A NH2 GLY 79.A O no hydrogen 2.986 N/A ARG 111.A NH2 GLN 109.A OE1 no hydrogen 3.067 N/A PHE 114.A N ASP 82.A O no hydrogen 2.887 N/A VAL 115.A N THR 140.A O no hydrogen 2.753 N/A TYR 116.A N ILE 84.A O no hydrogen 2.878 N/A ASN 119.A N HIS 145.A O no hydrogen 2.926 N/A ASN 120.A ND2 LEU 86.A O no hydrogen 2.998 N/A ASN 120.A ND2 LEU 117.A O no hydrogen 2.924 N/A TRP 122.A N ASN 120.A O no hydrogen 2.936 N/A GLY 123.A N THR 92.A O no hydrogen 2.770 N/A CYS 124.A N THR 149.A O no hydrogen 2.757 N/A ARG 127.A N ASP 125.A OD1 no hydrogen 2.977 N/A ARG 127.A NE ASP 125.A OD1 no hydrogen 3.397 N/A ARG 127.A NE ASP 125.A OD2 no hydrogen 3.012 N/A ARG 127.A NH2 ASP 125.A OD2 no hydrogen 2.649 N/A TRP 129.A NE1 VAL 94.A O no hydrogen 3.025 N/A GLN 132.A N ALA 128.A O no hydrogen 3.043 N/A GLU 133.A N TRP 129.A O no hydrogen 3.070 N/A LEU 134.A N LEU 130.A O no hydrogen 2.899 N/A ALA 135.A N ALA 131.A O no hydrogen 2.920 N/A GLY 136.A N GLN 132.A O no hydrogen 2.875 N/A GLY 137.A N GLU 133.A O no hydrogen 3.266 N/A GLY 137.A N LEU 134.A O no hydrogen 3.124 N/A SER 138.A N GLU 133.A O no hydrogen 3.035 N/A THR 140.A N SER 138.A OG no hydrogen 2.938 N/A PHE 141.A N SER 138.A OG no hydrogen 3.191 N/A GLY 142.A N VAL 115.A O no hydrogen 3.127 N/A CYS 147.A N ARG 156.A O no hydrogen 2.944 N/A CYS 147.A SG ARG 156.A O no hydrogen 3.758 N/A ALA 148.A N TRP 122.A O no hydrogen 2.801 N/A THR 149.A N TRP 122.A O no hydrogen 3.271 N/A LEU 153.A N PRO 150.A O no hydrogen 3.031 N/A ALA 154.A N ALA 151.A O no hydrogen 3.179 N/A GLY 155.A N CYS 147.A O no hydrogen 2.890 N/A ARG 156.A N LEU 153.A O no hydrogen 3.024 N/A ARG 156.A NH2 GLU 160.A O no hydrogen 3.483 N/A SER 159.A OG ASP 143.A OD2 no hydrogen 2.801 N/A GLU 160.A N GLY 157.A O no hydrogen 3.028 N/A ILE 161.A N LEU 158.A O no hydrogen 3.509 N/A GLN 163.A NE2 ALA 128.A O no hydrogen 2.989 N/A SER 165.A N PRO 162.A O no hydrogen 2.961 N/A PHE 166.A N GLN 163.A O no hydrogen 3.131 N/A