Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ibh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N SER 27.A O no hydrogen 3.415 N/A ILE 2.A N GLU 58.A O no hydrogen 2.806 N/A ILE 3.A N GLN 29.A O no hydrogen 3.044 N/A TYR 4.A N VAL 56.A O no hydrogen 2.869 N/A TYR 4.A OH GLU 58.A OE1 no hydrogen 2.581 N/A ASP 5.A N VAL 31.A O no hydrogen 3.091 N/A GLY 9.A N THR 6.A O no hydrogen 3.213 N/A TYR 11.A OH ASP 108.A OD1 no hydrogen 2.542 N/A ALA 13.A N GLY 9.A O no hydrogen 2.910 N/A ARG 14.A N TYR 11.A O no hydrogen 2.845 N/A ARG 14.A NH1 GLU 103.A OE2 no hydrogen 2.774 N/A ARG 14.A NH2 THR 69.A OG1 no hydrogen 3.398 N/A ARG 14.A NH2 GLU 103.A OE2 no hydrogen 3.104 N/A ARG 16.A N PRO 12.A O no hydrogen 2.940 N/A ARG 16.A NE ASP 5.A OD2 no hydrogen 2.877 N/A ARG 16.A NH2 ASP 5.A OD1 no hydrogen 2.885 N/A ARG 16.A NH2 ASP 5.A OD2 no hydrogen 3.370 N/A ILE 17.A N ALA 13.A O no hydrogen 2.834 N/A ALA 18.A N ARG 14.A O no hydrogen 3.085 N/A LEU 19.A N VAL 15.A O no hydrogen 2.793 N/A ALA 20.A N ARG 16.A O no hydrogen 3.047 N/A GLU 21.A N ILE 17.A O no hydrogen 2.906 N/A LYS 22.A N ALA 18.A O no hydrogen 2.967 N/A LYS 22.A N LEU 19.A O no hydrogen 3.150 N/A LYS 22.A NZ ASP 76.A O no hydrogen 3.270 N/A LYS 22.A NZ ASP 76.A OD1 no hydrogen 2.950 N/A LYS 22.A NZ ASP 79.A OD1 no hydrogen 3.280 N/A LYS 22.A NZ ASP 79.A OD2 no hydrogen 3.528 N/A LYS 22.A NZ THR 83.A OG1 no hydrogen 3.429 N/A ASN 23.A N ALA 20.A O no hydrogen 2.985 N/A MET 24.A N LEU 19.A O no hydrogen 2.832 N/A SER 27.A N MET 24.A O no hydrogen 2.979 N/A VAL 28.A N LEU 25.A O no hydrogen 3.173 N/A GLN 29.A N MET 1.A O no hydrogen 2.822 N/A VAL 31.A N ILE 3.A O no hydrogen 2.886 N/A ARG 32.A NE ILE 33.A O no hydrogen 3.317 N/A ILE 33.A N ASP 5.A O no hydrogen 2.933 N/A ASN 34.A N GLU 39.A OE1 no hydrogen 2.831 N/A LYS 37.A N ASN 34.A O no hydrogen 3.241 N/A GLY 38.A N LEU 35.A O no hydrogen 2.838 N/A GLU 39.A N ASN 34.A O no hydrogen 3.023 N/A LYS 41.A N GLY 38.A O no hydrogen 3.175 N/A LYS 41.A NZ VAL 125.A O no hydrogen 2.789 N/A LYS 42.A N GLU 39.A O no hydrogen 3.320 N/A LYS 42.A NZ LYS 37.A O no hydrogen 3.512 N/A LEU 46.A N LYS 42.A O no hydrogen 3.093 N/A ALA 47.A N PRO 43.A O no hydrogen 3.125 N/A LYS 48.A N PHE 45.A O no hydrogen 2.828 N/A LYS 48.A NZ GLU 58.A OE1 no hydrogen 2.940 N/A ASN 49.A N PHE 45.A O no hydrogen 2.981 N/A ASN 49.A ND2 THR 53.A O no hydrogen 2.878 N/A SER 51.A N ASN 49.A OD1 no hydrogen 2.926 N/A GLY 52.A N ASN 49.A O no hydrogen 2.925 N/A VAL 56.A N TYR 4.A O no hydrogen 3.072 N/A LEU 57.A N ILE 65.A O no hydrogen 2.764 N/A GLU 58.A N ILE 2.A O no hydrogen 2.712 N/A LEU 59.A N THR 63.A O no hydrogen 2.864 N/A GLY 62.A N LEU 59.A O no hydrogen 2.840 N/A THR 63.A N ASP 61.A OD1 no hydrogen 3.039 N/A THR 63.A OG1 ASP 61.A OD1 no hydrogen 2.621 N/A ILE 65.A N LEU 57.A O no hydrogen 2.679 N/A CYS 68.A SG TYR 11.A O no hydrogen 3.372 N/A THR 69.A OG1 GLU 103.A OE2 no hydrogen 3.452 N/A ILE 71.A N GLU 67.A O no hydrogen 2.928 N/A THR 72.A N CYS 68.A O no hydrogen 2.945 N/A THR 72.A OG1 CYS 68.A O no hydrogen 2.780 N/A GLU 73.A N THR 69.A O no hydrogen 2.955 N/A TYR 74.A N ALA 70.A O no hydrogen 2.868 N/A ILE 75.A N ILE 71.A O no hydrogen 2.946 N/A ASP 76.A N THR 72.A O no hydrogen 2.818 N/A ALA 77.A N GLU 73.A O no hydrogen 3.245 N/A GLY 80.A N ALA 77.A O no hydrogen 3.176 N/A THR 81.A N ASP 79.A OD1 no hydrogen 3.001 N/A THR 83.A N ASP 76.A OD1 no hydrogen 2.944 N/A LEU 84.A N ASP 76.A OD1 no hydrogen 3.300 N/A LEU 84.A N ASP 76.A OD2 no hydrogen 3.192 N/A THR 85.A N ASP 76.A OD2 no hydrogen 2.885 N/A THR 85.A OG1 ASP 76.A OD2 no hydrogen 2.557 N/A LYS 87.A N GLU 91.A OE1 no hydrogen 2.818 N/A THR 88.A N GLU 91.A OE1 no hydrogen 3.205 N/A GLU 91.A N THR 88.A OG1 no hydrogen 3.105 N/A LYS 92.A N THR 88.A O no hydrogen 3.002 N/A GLY 93.A N PRO 89.A O no hydrogen 2.997 N/A VAL 94.A N LEU 90.A O no hydrogen 2.866 N/A ILE 95.A N GLU 91.A O no hydrogen 2.918 N/A HIS 96.A N LYS 92.A O no hydrogen 3.008 N/A HIS 96.A NE2 GLU 73.A OE1 no hydrogen 2.785 N/A MET 97.A N GLY 93.A O no hydrogen 2.938 N/A MET 98.A N VAL 94.A O no hydrogen 2.920 N/A ASN 99.A N ILE 95.A O no hydrogen 2.806 N/A ASN 99.A ND2 THR 69.A OG1 no hydrogen 2.893 N/A LYS 100.A N HIS 96.A O no hydrogen 2.909 N/A ARG 101.A N MET 97.A O no hydrogen 2.828 N/A ARG 101.A NH1 TYR 147.A OH no hydrogen 2.819 N/A ALA 102.A N MET 98.A O no hydrogen 2.842 N/A GLU 103.A N ASN 99.A O no hydrogen 3.127 N/A LEU 104.A N LYS 100.A O no hydrogen 2.850 N/A GLU 105.A N ARG 101.A O no hydrogen 2.754 N/A LEU 106.A N ALA 102.A O no hydrogen 3.093 N/A LEU 107.A N ALA 102.A O no hydrogen 2.964 N/A ASP 108.A N GLU 103.A O no hydrogen 2.839 N/A VAL 110.A N LEU 106.A O no hydrogen 3.142 N/A SER 111.A N LEU 107.A O no hydrogen 3.083 N/A VAL 112.A N ASP 108.A O no hydrogen 2.864 N/A TYR 113.A N PRO 109.A O no hydrogen 2.896 N/A PHE 114.A N VAL 110.A O no hydrogen 2.855 N/A HIS 115.A N SER 111.A O no hydrogen 3.064 N/A HIS 115.A ND1 GLU 126.A OE2 no hydrogen 2.573 N/A HIS 116.A N VAL 112.A O no hydrogen 2.836 N/A ALA 117.A N TYR 113.A O no hydrogen 2.911 N/A THR 118.A OG1 PHE 114.A O no hydrogen 2.589 N/A GLY 120.A N THR 118.A OG1 no hydrogen 3.049 N/A LEU 121.A N GLU 126.A OE2 no hydrogen 2.858 N/A GLY 122.A N PRO 119.A O no hydrogen 2.810 N/A VAL 125.A N GLY 122.A O no hydrogen 2.963 N/A GLU 126.A N GLY 122.A O no hydrogen 2.818 N/A GLN 129.A NE2 HIS 115.A O no hydrogen 2.625 N/A GLN 129.A NE2 THR 118.A O no hydrogen 2.668 N/A ASN 130.A N HIS 116.A ND1 no hydrogen 3.077 N/A ASN 130.A ND2 TYR 128.A OH no hydrogen 2.968 N/A TRP 133.A N ASN 130.A OD1 no hydrogen 2.828 N/A GLY 134.A N ASN 130.A O no hydrogen 2.873 N/A LEU 135.A N LYS 131.A O no hydrogen 2.839 N/A ARG 136.A N GLU 132.A O no hydrogen 3.254 N/A GLN 137.A N TRP 133.A O no hydrogen 3.022 N/A GLN 137.A NE2 TRP 133.A O no hydrogen 3.344 N/A ARG 138.A N GLY 134.A O no hydrogen 3.052 N/A ARG 138.A NE ASP 139.A OD1 no hydrogen 3.434 N/A ARG 138.A NH2 ASP 139.A OD1 no hydrogen 3.253 N/A ASP 139.A N LEU 135.A O no hydrogen 3.129 N/A LYS 140.A N ARG 136.A O no hydrogen 2.929 N/A ALA 141.A N GLN 137.A O no hydrogen 2.909 N/A LEU 142.A N ARG 138.A O no hydrogen 3.063 N/A HIS 143.A N ASP 139.A O no hydrogen 3.032 N/A GLY 144.A N LYS 140.A O no hydrogen 2.866 N/A MET 145.A N ALA 141.A O no hydrogen 2.895 N/A HIS 146.A N LEU 142.A O no hydrogen 3.260 N/A TYR 147.A N HIS 143.A O no hydrogen 2.821 N/A PHE 148.A N GLY 144.A O no hydrogen 2.744 N/A ASP 149.A N MET 145.A O no hydrogen 2.850 N/A THR 150.A N HIS 146.A O no hydrogen 3.093 N/A THR 150.A OG1 TYR 147.A O no hydrogen 2.676 N/A VAL 151.A N TYR 147.A O no hydrogen 3.173 N/A LEU 152.A N PHE 148.A O no hydrogen 2.945 N/A GLU 154.A N VAL 151.A O no hydrogen 3.072 N/A ARG 155.A N VAL 151.A O no hydrogen 3.132 N/A ARG 155.A NE VAL 158.A O no hydrogen 3.450 N/A ARG 155.A NH2 VAL 158.A O no hydrogen 3.151 N/A TYR 157.A N GLY 160.A O no hydrogen 3.183 N/A VAL 158.A N ASP 167.A OD1 no hydrogen 2.815 N/A GLY 160.A N TYR 157.A O no hydrogen 3.262 N/A SER 164.A N ASP 167.A OD2 no hydrogen 2.848 N/A MET 165.A N LEU 84.A O no hydrogen 2.800 N/A ALA 166.A N SER 164.A OG no hydrogen 3.248 N/A ASP 167.A N SER 164.A O no hydrogen 3.048 N/A ILE 168.A N SER 164.A O no hydrogen 3.446 N/A THR 169.A N MET 165.A O no hydrogen 3.064 N/A THR 169.A OG1 ASN 99.A OD1 no hydrogen 2.563 N/A THR 169.A OG1 MET 165.A O no hydrogen 3.137 N/A VAL 170.A N ALA 166.A O no hydrogen 3.175 N/A ILE 171.A N ASP 167.A O no hydrogen 2.804 N/A ALA 172.A N ILE 168.A O no hydrogen 2.878 N/A GLY 173.A N THR 169.A O no hydrogen 2.791 N/A LEU 174.A N VAL 170.A O no hydrogen 2.839 N/A ILE 175.A N ILE 171.A O no hydrogen 2.848 N/A PHE 176.A N ALA 172.A O no hydrogen 2.964 N/A ALA 177.A N GLY 173.A O no hydrogen 2.908 N/A ALA 178.A N LEU 174.A O no hydrogen 2.985 N/A ILE 179.A N ILE 175.A O no hydrogen 3.127 N/A VAL 180.A N PHE 176.A O no hydrogen 3.169 N/A LYS 181.A N ALA 178.A O no hydrogen 3.071 N/A LYS 181.A NZ ALA 178.A O no hydrogen 3.016 N/A LYS 181.A NZ ILE 179.A O no hydrogen 3.229 N/A LEU 182.A N ALA 177.A O no hydrogen 2.834 N/A GLU 187.A N GLU 187.A OE1 no hydrogen 2.637 N/A CYS 188.A N PRO 185.A O no hydrogen 3.094 N/A CYS 188.A SG HIS 146.A ND1 no hydrogen 3.564 N/A LEU 191.A N ASP 149.A OD1 no hydrogen 2.824 N/A ARG 192.A N CYS 188.A O no hydrogen 2.983 N/A ARG 192.A NE PRO 185.A O no hydrogen 3.350 N/A ALA 193.A N GLU 189.A O no hydrogen 2.981 N/A TRP 194.A N ALA 190.A O no hydrogen 2.993 N/A TRP 194.A NE1 ASP 167.A OD1 no hydrogen 2.882 N/A TYR 195.A N LEU 191.A O no hydrogen 3.039 N/A LYS 196.A N ARG 192.A O no hydrogen 3.127 N/A ARG 197.A N ALA 193.A O no hydrogen 3.053 N/A ARG 197.A NH1 PRO 156.A O no hydrogen 3.174 N/A ARG 197.A NH2 PRO 156.A O no hydrogen 2.803 N/A MET 198.A N TRP 194.A O no hydrogen 2.820 N/A GLN 199.A N TYR 195.A O no hydrogen 2.885 N/A GLN 199.A NE2 TYR 195.A O no hydrogen 3.677 N/A GLN 200.A N ARG 197.A O no hydrogen 2.948 N/A ARG 201.A N MET 198.A O no hydrogen 2.993 N/A ARG 201.A NH2 GLU 21.A OE2 no hydrogen 2.564 N/A SER 203.A OG GLU 21.A OE1 no hydrogen 2.420 N/A VAL 204.A N ARG 201.A O no hydrogen 3.070 N/A LYS 205.A N ARG 201.A O no hydrogen 2.752 N/A LYS 205.A NZ GLN 200.A O no hydrogen 3.482 N/A LYS 206.A N PRO 202.A O no hydrogen 3.041 N/A LEU 208.A N VAL 204.A O no hydrogen 3.129 N/A