Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3f81_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A NE2 ASP 8.A OD1 no hydrogen 3.034 N/A ASP 5.A N LEU 1.A O no hydrogen 3.149 N/A LEU 6.A N SER 2.A O no hydrogen 2.952 N/A ASN 7.A N VAL 3.A O no hydrogen 2.889 N/A ASN 7.A ND2 ASP 158.A OD1 no hydrogen 3.027 N/A ASP 8.A N GLN 4.A O no hydrogen 2.932 N/A LEU 9.A N ASP 5.A O no hydrogen 3.352 N/A LEU 10.A N LEU 6.A O no hydrogen 3.260 N/A LEU 10.A N ASN 7.A O no hydrogen 2.972 N/A SER 11.A N ASN 7.A O no hydrogen 2.964 N/A ASP 12.A N CYS 16.A O no hydrogen 2.799 N/A SER 14.A N ASP 12.A OD2 no hydrogen 2.771 N/A SER 14.A OG ASP 12.A OD1 no hydrogen 3.176 N/A SER 14.A OG ASP 12.A OD2 no hydrogen 2.567 N/A CYS 16.A N ASP 12.A OD2 no hydrogen 3.252 N/A CYS 16.A SG SER 14.A OG no hydrogen 3.678 N/A SER 21.A N GLU 153.A OE1 no hydrogen 2.942 N/A SER 21.A OG GLU 153.A OE1 no hydrogen 3.222 N/A SER 21.A OG GLU 153.A OE2 no hydrogen 2.656 N/A CYS 24.A SG VAL 33.A O no hydrogen 3.984 N/A ASN 25.A N VAL 33.A O no hydrogen 3.035 N/A VAL 27.A N ILE 31.A O no hydrogen 2.805 N/A ARG 30.A N GLU 26.A OE2 no hydrogen 2.776 N/A ARG 30.A NH1 GLN 109.A O no hydrogen 2.654 N/A ARG 30.A NH1 GLY 112.A O no hydrogen 2.823 N/A ARG 30.A NH2 LEU 107.A O no hydrogen 2.852 N/A ILE 31.A N THR 28.A O no hydrogen 2.955 N/A TYR 32.A N VAL 114.A O no hydrogen 2.873 N/A VAL 33.A N ASN 25.A O no hydrogen 2.859 N/A ASN 35.A N PRO 23.A O no hydrogen 2.996 N/A ALA 36.A N ARG 119.A O no hydrogen 3.010 N/A SER 37.A OG ASN 35.A OD1 no hydrogen 2.972 N/A VAL 38.A N ASN 35.A OD1 no hydrogen 3.058 N/A ALA 39.A N ASN 35.A O no hydrogen 3.295 N/A GLN 40.A N ALA 36.A O no hydrogen 3.213 N/A GLN 40.A N SER 37.A O no hydrogen 3.221 N/A GLN 40.A NE2 ALA 36.A O no hydrogen 3.075 N/A ASP 41.A N VAL 38.A O no hydrogen 3.096 N/A LYS 44.A N ASP 41.A OD1 no hydrogen 3.182 N/A LEU 45.A N ASP 41.A O no hydrogen 3.067 N/A GLN 46.A N ILE 42.A O no hydrogen 2.971 N/A GLN 46.A NE2 SER 75.A O no hydrogen 3.629 N/A LYS 47.A N PRO 43.A O no hydrogen 3.098 N/A LYS 47.A NZ PRO 43.A O no hydrogen 2.744 N/A LEU 48.A N LYS 44.A O no hydrogen 3.072 N/A GLY 49.A N GLN 46.A O no hydrogen 2.923 N/A ILE 50.A N LEU 45.A O no hydrogen 2.960 N/A THR 51.A N ARG 113.A O no hydrogen 2.792 N/A THR 51.A OG1 HIS 52.A ND1 no hydrogen 2.792 N/A THR 51.A OG1 ARG 113.A O no hydrogen 3.131 N/A HIS 52.A N ARG 113.A O no hydrogen 3.194 N/A HIS 52.A ND1 THR 51.A OG1 no hydrogen 2.792 N/A VAL 53.A N THR 78.A O no hydrogen 2.862 N/A LEU 54.A N LEU 115.A O no hydrogen 2.886 N/A ASN 55.A N LEU 80.A O no hydrogen 2.835 N/A ASN 55.A ND2 VAL 65.A O no hydrogen 3.028 N/A ASN 55.A ND2 TYR 79.A OH no hydrogen 3.142 N/A ALA 56.A N HIS 117.A O no hydrogen 2.857 N/A ALA 57.A N ASN 55.A OD1 no hydrogen 2.874 N/A GLU 58.A N ILE 82.A O no hydrogen 3.047 N/A GLY 59.A N VAL 65.A O no hydrogen 3.309 N/A SER 61.A OG HIS 64.A ND1 no hydrogen 2.600 N/A MET 63.A N SER 61.A OG no hydrogen 3.099 N/A HIS 64.A N SER 61.A O no hydrogen 2.895 N/A HIS 64.A ND1 SER 61.A OG no hydrogen 2.600 N/A HIS 64.A NE2 ASN 85.A OD1 no hydrogen 2.841 N/A VAL 65.A N ALA 57.A O no hydrogen 2.717 N/A PHE 71.A N ASN 68.A O no hydrogen 3.239 N/A PHE 71.A N ASN 68.A OD1 no hydrogen 2.975 N/A TYR 72.A N ALA 69.A O no hydrogen 2.928 N/A TYR 72.A OH ALA 39.A O no hydrogen 2.572 N/A LYS 73.A N ASN 70.A O no hydrogen 3.109 N/A SER 75.A N TYR 72.A O no hydrogen 3.044 N/A SER 75.A OG TYR 72.A O no hydrogen 2.637 N/A ILE 77.A N SER 75.A OG no hydrogen 3.142 N/A THR 78.A N THR 51.A O no hydrogen 2.877 N/A TYR 79.A OH GLU 58.A OE2 no hydrogen 2.571 N/A LEU 80.A N VAL 53.A O no hydrogen 2.940 N/A ILE 82.A N ASN 55.A O no hydrogen 2.705 N/A LYS 83.A NZ GLU 58.A OE1 no hydrogen 2.650 N/A THR 87.A N ASN 85.A O no hydrogen 2.988 N/A PHE 90.A N THR 87.A O no hydrogen 3.076 N/A LEU 92.A N PHE 90.A O no hydrogen 2.959 N/A SER 93.A N GLN 163.A OE1 no hydrogen 2.834 N/A SER 93.A OG ASN 91.A OD1 no hydrogen 2.783 N/A ALA 94.A N ASN 91.A O no hydrogen 3.148 N/A TYR 95.A N LEU 92.A O no hydrogen 2.827 N/A PHE 96.A N SER 93.A O no hydrogen 3.150 N/A ALA 99.A N TYR 95.A O no hydrogen 2.822 N/A ALA 100.A N PHE 96.A O no hydrogen 2.933 N/A ASP 101.A N GLU 97.A O no hydrogen 2.914 N/A PHE 102.A N ARG 98.A O no hydrogen 3.104 N/A ILE 103.A N ALA 99.A O no hydrogen 2.892 N/A ASP 104.A N ALA 100.A O no hydrogen 2.764 N/A GLN 105.A N ASP 101.A O no hydrogen 2.783 N/A ALA 106.A N PHE 102.A O no hydrogen 3.084 N/A LEU 107.A N ILE 103.A O no hydrogen 2.871 N/A ALA 108.A N ASP 104.A O no hydrogen 2.984 N/A GLY 112.A N GLN 109.A O no hydrogen 2.989 N/A ARG 113.A N THR 51.A OG1 no hydrogen 2.943 N/A ARG 113.A NH1 GLU 26.A OE2 no hydrogen 3.304 N/A VAL 114.A N ARG 30.A O no hydrogen 3.022 N/A LEU 115.A N HIS 52.A O no hydrogen 2.927 N/A VAL 116.A N TYR 32.A O no hydrogen 2.793 N/A HIS 117.A N LEU 54.A O no hydrogen 3.036 N/A HIS 117.A ND1 CYS 118.A O no hydrogen 3.011 N/A CYS 118.A N GLY 34.A O no hydrogen 3.327 N/A CYS 118.A SG SER 125.A OG no hydrogen 3.179 N/A ARG 119.A NH1 HIS 64.A O no hydrogen 2.834 N/A TYR 122.A OH SER 18.A O no hydrogen 2.906 N/A SER 123.A OG ASP 86.A OD1 no hydrogen 2.604 N/A ARG 124.A NH1 MET 63.A O no hydrogen 3.033 N/A ARG 124.A NH1 ALA 84.A O no hydrogen 2.842 N/A ARG 124.A NH2 MET 63.A O no hydrogen 2.695 N/A SER 125.A OG VAL 116.A O no hydrogen 3.536 N/A THR 127.A N SER 123.A O no hydrogen 3.261 N/A THR 127.A OG1 SER 123.A O no hydrogen 2.712 N/A LEU 128.A N ARG 124.A O no hydrogen 3.428 N/A VAL 129.A N SER 125.A O no hydrogen 3.097 N/A ILE 130.A N PRO 126.A O no hydrogen 2.873 N/A ALA 131.A N THR 127.A O no hydrogen 2.895 N/A TYR 132.A N LEU 128.A O no hydrogen 2.933 N/A TYR 132.A OH ASP 104.A OD1 no hydrogen 3.195 N/A TYR 132.A OH GLN 137.A OE1 no hydrogen 3.327 N/A LEU 133.A N VAL 129.A O no hydrogen 2.936 N/A MET 134.A N ILE 130.A O no hydrogen 3.024 N/A MET 135.A N ALA 131.A O no hydrogen 2.844 N/A ARG 136.A N TYR 132.A O no hydrogen 2.799 N/A ARG 136.A NH1 ASP 101.A OD1 no hydrogen 3.038 N/A ARG 136.A NH2 ASP 101.A OD1 no hydrogen 2.996 N/A GLN 137.A N LEU 133.A O no hydrogen 2.978 N/A MET 139.A N LEU 133.A O no hydrogen 3.253 N/A VAL 141.A N ASN 168.A OD1 no hydrogen 2.799 N/A SER 143.A N ASP 140.A OD2 no hydrogen 3.045 N/A SER 143.A OG ASP 140.A OD1 no hydrogen 2.753 N/A SER 143.A OG ASP 140.A OD2 no hydrogen 3.452 N/A ALA 144.A N ASP 140.A O no hydrogen 2.864 N/A LEU 145.A N VAL 141.A O no hydrogen 2.752 N/A SER 146.A N LYS 142.A O no hydrogen 2.910 N/A ILE 147.A N SER 143.A O no hydrogen 2.989 N/A VAL 148.A N ALA 144.A O no hydrogen 3.195 N/A ARG 149.A N LEU 145.A O no hydrogen 2.912 N/A ARG 149.A NH1 ARG 149.A O no hydrogen 2.808 N/A GLN 150.A N SER 146.A O no hydrogen 2.990 N/A ASN 151.A N ILE 147.A O no hydrogen 3.355 N/A ASN 151.A N VAL 148.A O no hydrogen 2.985 N/A ASN 151.A ND2 VAL 27.A O no hydrogen 2.950 N/A ASN 151.A ND2 ILE 147.A O no hydrogen 3.039 N/A ARG 152.A N VAL 148.A O no hydrogen 2.928 N/A ARG 152.A NE GLY 121.A O no hydrogen 2.908 N/A ARG 152.A NH1 GLN 22.A O no hydrogen 2.844 N/A ARG 152.A NH1 ASN 25.A OD1 no hydrogen 2.919 N/A ARG 152.A NH2 GLU 120.A O no hydrogen 2.893 N/A GLU 153.A N GLU 153.A OE1 no hydrogen 2.759 N/A GLY 155.A N TYR 122.A O no hydrogen 2.778 N/A ASN 157.A N SER 123.A OG no hydrogen 2.992 N/A ASN 157.A ND2 ASP 86.A OD1 no hydrogen 2.898 N/A PHE 160.A N ASN 157.A OD1 no hydrogen 2.890 N/A LEU 161.A N ASN 157.A O no hydrogen 2.920 N/A ALA 162.A N ASP 158.A O no hydrogen 2.952 N/A GLN 163.A N GLY 159.A O no hydrogen 2.956 N/A GLN 163.A NE2 PHE 90.A O no hydrogen 3.054 N/A LEU 164.A N PHE 160.A O no hydrogen 2.933 N/A CYS 165.A N LEU 161.A O no hydrogen 2.873 N/A CYS 165.A SG LEU 161.A O no hydrogen 3.415 N/A GLN 166.A N ALA 162.A O no hydrogen 2.955 N/A LEU 167.A N GLN 163.A O no hydrogen 2.948 N/A ASN 168.A N LEU 164.A O no hydrogen 2.877 N/A ASP 169.A N CYS 165.A O no hydrogen 2.971 N/A ARG 170.A N GLN 166.A O no hydrogen 3.176 N/A ARG 170.A NH1 GLU 174.A OE1 no hydrogen 2.817 N/A LEU 171.A N LEU 167.A O no hydrogen 3.006 N/A ALA 172.A N ASN 168.A O no hydrogen 2.725 N/A LYS 173.A N ASP 169.A O no hydrogen 3.020 N/A GLU 174.A N ARG 170.A O no hydrogen 2.932 N/A GLY 175.A N ALA 172.A O no hydrogen 3.123 N/A LYS 176.A N LEU 171.A O no hydrogen 2.848 N/A LYS 176.A NZ GLU 174.A OE1 no hydrogen 2.759 N/A LYS 178.A N LYS 138.A O no hydrogen 2.853 N/A