Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3e31_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A NE2 GLU 27.A OE2 no hydrogen 2.888 N/A LEU 6.A N HIS 60.A O no hydrogen 2.910 N/A TRP 7.A N PHE 29.A O no hydrogen 2.848 N/A ILE 8.A N ILE 62.A O no hydrogen 2.972 N/A GLY 9.A N HIS 31.A O no hydrogen 3.018 N/A CYS 10.A SG ASP 12.A OD2 no hydrogen 3.240 N/A CYS 10.A SG ASN 33.A O no hydrogen 3.904 N/A CYS 10.A SG HIS 66.A NE2 no hydrogen 3.548 N/A SER 11.A N ASN 33.A O no hydrogen 3.022 N/A SER 13.A N SER 11.A O no hydrogen 2.445 N/A ARG 14.A NE ASP 12.A O no hydrogen 3.222 N/A ARG 14.A NE SER 13.A O no hydrogen 2.994 N/A ARG 14.A NH2 ASP 12.A O no hydrogen 3.423 N/A ARG 14.A NH2 SER 13.A OG no hydrogen 3.043 N/A LEU 20.A N PRO 16.A O no hydrogen 2.817 N/A LEU 20.A N ALA 17.A O no hydrogen 2.750 N/A THR 21.A N ALA 17.A O no hydrogen 3.050 N/A THR 21.A OG1 ALA 17.A O no hydrogen 3.530 N/A GLU 27.A N GLU 24.A O no hydrogen 3.158 N/A HIS 31.A N TRP 7.A O no hydrogen 2.910 N/A ARG 32.A NH1 ARG 14.A O no hydrogen 3.207 N/A ASN 33.A N GLY 9.A O no hydrogen 3.372 N/A ASN 33.A ND2 HIS 31.A NE2 no hydrogen 2.782 N/A ASN 33.A ND2 GLN 37.A O no hydrogen 3.153 N/A ASN 36.A N ASN 33.A O no hydrogen 2.818 N/A GLN 37.A N ASN 33.A OD1 no hydrogen 2.585 N/A VAL 38.A N GLN 122.A OE1 no hydrogen 2.696 N/A ASP 42.A N ILE 39.A O no hydrogen 3.078 N/A ASN 44.A N ASP 42.A OD1 no hydrogen 3.178 N/A CYS 45.A N ASP 42.A OD2 no hydrogen 3.120 N/A CYS 45.A SG GLN 37.A O no hydrogen 3.955 N/A LEU 46.A N ASP 42.A O no hydrogen 2.990 N/A SER 47.A N PHE 43.A O no hydrogen 2.605 N/A SER 47.A OG PHE 43.A O no hydrogen 2.830 N/A VAL 48.A N ASN 44.A O no hydrogen 3.239 N/A VAL 49.A N CYS 45.A O no hydrogen 2.716 N/A GLN 50.A N LEU 46.A O no hydrogen 2.592 N/A GLN 50.A NE2 ASP 54.A OD2 no hydrogen 2.521 N/A TYR 51.A N SER 47.A O no hydrogen 2.852 N/A ALA 52.A N VAL 48.A O no hydrogen 2.824 N/A VAL 53.A N VAL 49.A O no hydrogen 2.880 N/A ASP 54.A N GLN 50.A O no hydrogen 2.776 N/A LEU 56.A N TYR 51.A O no hydrogen 3.019 N/A ILE 58.A N ALA 52.A O no hydrogen 2.856 N/A ILE 61.A N SER 143.A O no hydrogen 2.901 N/A ILE 62.A N LEU 6.A O no hydrogen 3.002 N/A ILE 63.A N HIS 145.A O no hydrogen 2.718 N/A CYS 64.A N ILE 8.A O no hydrogen 3.090 N/A CYS 64.A SG GLY 65.A O no hydrogen 3.097 N/A CYS 64.A SG TRP 147.A O no hydrogen 3.619 N/A GLY 65.A N TRP 147.A O no hydrogen 2.953 N/A HIS 66.A ND1 THR 67.A O no hydrogen 2.853 N/A THR 67.A N TYR 149.A O no hydrogen 3.050 N/A THR 67.A OG1 TYR 149.A O no hydrogen 3.547 N/A THR 67.A OG1 ASP 150.A OD2 no hydrogen 2.668 N/A ASN 68.A ND2 HIS 73.A NE2 no hydrogen 3.159 N/A CYS 69.A SG ASP 12.A OD2 no hydrogen 3.044 N/A CYS 69.A SG HIS 66.A NE2 no hydrogen 3.607 N/A GLY 70.A N ASP 12.A OD2 no hydrogen 2.768 N/A GLY 71.A N ASP 12.A OD2 no hydrogen 3.402 N/A HIS 73.A N CYS 69.A O no hydrogen 2.977 N/A ALA 74.A N GLY 70.A O no hydrogen 2.634 N/A ALA 75.A N GLY 71.A O no hydrogen 2.571 N/A MET 76.A N ILE 72.A O no hydrogen 2.860 N/A MET 76.A N HIS 73.A O no hydrogen 3.145 N/A ALA 77.A N HIS 73.A O no hydrogen 2.918 N/A ASN 85.A N GLY 82.A O no hydrogen 3.194 N/A ASN 85.A ND2 LYS 79.A O no hydrogen 3.232 N/A ASN 86.A N LEU 83.A O no hydrogen 2.650 N/A TRP 87.A N LEU 83.A O no hydrogen 3.433 N/A TRP 87.A NE1 VAL 34.A O no hydrogen 2.920 N/A LEU 88.A N ILE 84.A O no hydrogen 2.765 N/A LEU 89.A N ASN 85.A O no hydrogen 2.848 N/A LEU 89.A N ASN 86.A O no hydrogen 3.151 N/A HIS 90.A N TRP 87.A O no hydrogen 3.311 N/A ARG 92.A N LEU 88.A O no hydrogen 2.852 N/A ARG 92.A NH1 ALA 75.A O no hydrogen 2.535 N/A ASP 93.A N LEU 89.A O no hydrogen 2.967 N/A TRP 95.A N ILE 91.A O no hydrogen 3.093 N/A PHE 96.A N ARG 92.A O no hydrogen 2.984 N/A LYS 97.A N ASP 93.A O no hydrogen 2.829 N/A LYS 97.A NZ GLU 121.A OE1 no hydrogen 2.716 N/A LYS 97.A NZ GLU 121.A OE2 no hydrogen 3.003 N/A HIS 98.A N ILE 94.A O no hydrogen 3.056 N/A HIS 98.A NE2 GLU 121.A OE2 no hydrogen 2.578 N/A GLY 99.A N PHE 96.A O no hydrogen 3.113 N/A LEU 102.A N HIS 98.A O no hydrogen 3.045 N/A GLY 103.A N GLY 99.A O no hydrogen 2.322 N/A LYS 104.A N LEU 102.A O no hydrogen 2.490 N/A LYS 109.A NZ GLU 108.A OE2 no hydrogen 3.218 N/A ARG 110.A N PRO 107.A O no hydrogen 3.371 N/A ARG 110.A NE LEU 105.A O no hydrogen 2.870 N/A ARG 110.A NH2 LEU 105.A O no hydrogen 3.216 N/A MET 113.A N LYS 109.A O no hydrogen 3.110 N/A LEU 114.A N ARG 110.A O no hydrogen 2.778 N/A THR 115.A N ALA 111.A O no hydrogen 2.887 N/A THR 115.A OG1 HIS 66.A O no hydrogen 3.150 N/A THR 115.A OG1 ALA 111.A O no hydrogen 3.166 N/A LYS 116.A N ASP 112.A O no hydrogen 3.290 N/A LYS 116.A N MET 113.A O no hydrogen 2.892 N/A LYS 116.A NZ GLN 159.A OE1 no hydrogen 2.809 N/A ILE 117.A N MET 113.A O no hydrogen 2.957 N/A ASN 118.A N LEU 114.A O no hydrogen 2.948 N/A ASN 118.A ND2 ALA 35.A O no hydrogen 3.149 N/A VAL 119.A N THR 115.A O no hydrogen 3.343 N/A ALA 120.A N LYS 116.A O no hydrogen 3.210 N/A GLU 121.A N ILE 117.A O no hydrogen 2.895 N/A GLU 121.A N ASN 118.A O no hydrogen 2.836 N/A GLN 122.A N ASN 118.A O no hydrogen 2.890 N/A GLN 122.A NE2 ASN 118.A OD1 no hydrogen 2.720 N/A VAL 123.A N VAL 119.A O no hydrogen 3.244 N/A TYR 124.A N ALA 120.A O no hydrogen 2.919 N/A TYR 124.A OH GLU 170.A OE2 no hydrogen 2.741 N/A ASN 125.A N GLU 121.A O no hydrogen 2.685 N/A ASN 125.A ND2 VAL 38.A O no hydrogen 3.100 N/A ASN 125.A ND2 GLN 122.A OE1 no hydrogen 3.295 N/A LEU 126.A N GLN 122.A O no hydrogen 2.645 N/A GLY 127.A N VAL 123.A O no hydrogen 2.681 N/A ARG 128.A N ASN 125.A O no hydrogen 2.865 N/A THR 129.A N LEU 126.A O no hydrogen 3.212 N/A THR 129.A OG1 LEU 126.A O no hydrogen 2.910 N/A VAL 132.A N THR 129.A OG1 no hydrogen 3.153 N/A LYS 133.A N THR 129.A O no hydrogen 2.989 N/A SER 134.A N SER 130.A O no hydrogen 2.715 N/A SER 134.A OG SER 130.A O no hydrogen 3.098 N/A ALA 135.A N ILE 131.A O no hydrogen 3.208 N/A TRP 136.A N VAL 132.A O no hydrogen 2.912 N/A TRP 136.A NE1 LEU 142.A O no hydrogen 2.814 N/A GLU 137.A N LYS 133.A O no hydrogen 2.748 N/A ARG 138.A N SER 134.A O no hydrogen 2.934 N/A ARG 138.A N ALA 135.A O no hydrogen 3.032 N/A ARG 138.A NH2 ASP 54.A OD1 no hydrogen 3.502 N/A ARG 138.A NH2 GLN 140.A OE1 no hydrogen 3.183 N/A GLY 139.A N TRP 136.A O no hydrogen 2.532 N/A GLN 140.A N ALA 135.A O no hydrogen 3.104 N/A GLN 140.A NE2 ILE 58.A O no hydrogen 3.428 N/A LYS 141.A NZ GLU 59.A OE2 no hydrogen 2.705 N/A SER 143.A N GLU 59.A O no hydrogen 2.918 N/A SER 143.A OG GLU 59.A O no hydrogen 3.355 N/A LEU 144.A N ALA 163.A O no hydrogen 2.929 N/A HIS 145.A N ILE 61.A O no hydrogen 2.704 N/A GLY 146.A N VAL 161.A O no hydrogen 3.201 N/A TRP 147.A N ILE 63.A O no hydrogen 3.104 N/A TYR 149.A N GLY 65.A O no hydrogen 2.969 N/A ASP 150.A N GLY 154.A O no hydrogen 2.844 N/A ASP 153.A N ASP 150.A OD1 no hydrogen 2.680 N/A GLY 154.A N ASP 150.A O no hydrogen 2.738 N/A LEU 156.A N VAL 148.A O no hydrogen 3.065 N/A VAL 161.A N GLY 146.A O no hydrogen 3.428 N/A MET 162.A N SER 172.A OG no hydrogen 2.937 N/A ALA 163.A N LEU 144.A O no hydrogen 3.162 N/A THR 164.A N THR 168.A OG1 no hydrogen 3.093 N/A SER 165.A OG THR 168.A OG1 no hydrogen 2.535 N/A ARG 166.A NE ARG 166.A O no hydrogen 3.067 N/A THR 168.A N SER 165.A OG no hydrogen 2.859 N/A THR 168.A OG1 SER 165.A O no hydrogen 2.859 N/A THR 168.A OG1 SER 165.A OG no hydrogen 2.535 N/A LEU 169.A N SER 165.A O no hydrogen 2.741 N/A GLU 170.A N ARG 166.A O no hydrogen 3.400 N/A ILE 171.A N GLU 167.A O no hydrogen 3.394 N/A SER 172.A N THR 168.A O no hydrogen 2.901 N/A SER 172.A OG MET 162.A O no hydrogen 3.081 N/A TYR 173.A N LEU 169.A O no hydrogen 2.957 N/A TYR 173.A OH GLU 121.A OE1 no hydrogen 3.201 N/A TYR 173.A OH GLU 121.A OE2 no hydrogen 2.577 N/A ARG 174.A N GLU 170.A O no hydrogen 2.875 N/A ASN 175.A N ILE 171.A O no hydrogen 2.736 N/A ALA 176.A N SER 172.A O no hydrogen 2.781 N/A ILE 177.A N TYR 173.A O no hydrogen 3.020 N/A ALA 178.A N ARG 174.A O no hydrogen 2.690 N/A ARG 179.A N ASN 175.A O no hydrogen 2.666 N/A LEU 180.A N ALA 176.A O no hydrogen 2.992 N/A SER 181.A N ILE 177.A O no hydrogen 3.159 N/A SER 181.A N ALA 178.A O no hydrogen 3.207 N/A SER 181.A OG ILE 177.A O no hydrogen 2.804 N/A