Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q31_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 4.A N.A GLY 9.A O no hydrogen 2.950 N/A THR 6.A N PHE 3.A O.B no hydrogen 3.190 N/A GLY 9.A N THR 6.A O no hydrogen 2.926 N/A GLY 10.A N GLY 7.A O no hydrogen 2.812 N/A ASN 13.A N GLY 10.A O no hydrogen 2.693 N/A ASN 13.A ND2 LEU 8.A O no hydrogen 2.893 N/A TRP 14.A NE1 ASN 4.A O.A no hydrogen 3.304 N/A TRP 14.A NE1 ASN 4.A O.B no hydrogen 3.235 N/A TRP 14.A NE1 GLY 9.A O no hydrogen 3.002 N/A TYR 15.A OH GLU 19.A OE2 no hydrogen 2.767 N/A LEU 17.A N TRP 14.A O no hydrogen 2.816 N/A ASP 18.A N TYR 15.A O no hydrogen 3.273 N/A ALA 20.A N ASP 18.A OD2 no hydrogen 2.542 N/A ASN 21.A N ASP 18.A O no hydrogen 2.872 N/A GLU 22.A N GLU 19.A O no hydrogen 3.363 N/A CYS 24.A N ASN 21.A O no hydrogen 2.775 N/A ALA 25.A N GLU 22.A O no hydrogen 2.995 N/A LYS 26.A N GLU 22.A O no hydrogen 2.635 N/A LYS 26.A NZ TYR 15.A OH no hydrogen 3.262 N/A LYS 26.A NZ GLU 22.A OE1 no hydrogen 3.330 N/A GLY 27.A N ALA 23.A O no hydrogen 2.766 N/A HIS 29.A N GLU 187.A OE2 no hydrogen 2.714 N/A GLN 30.A NE2 CYS 185.A O no hydrogen 3.364 N/A GLN 30.A NE2 GLU 187.A OE2 no hydrogen 3.135 N/A SER 31.A N SER 179.A OG no hydrogen 3.028 N/A SER 31.A OG TYR 176.A OH no hydrogen 2.593 N/A SER 31.A OG SER 179.A O no hydrogen 3.321 N/A ILE 35.A N HIS 97.A O no hydrogen 2.746 N/A SER 37.A N ASN 99.A OD1 no hydrogen 3.009 N/A SER 37.A OG ASN 99.A OD1 no hydrogen 3.365 N/A ALA 38.A N ASP 36.A OD1 no hydrogen 3.002 N/A ALA 39.A N ASP 36.A O no hydrogen 2.641 N/A ILE 40.A N ASP 36.A O no hydrogen 3.153 N/A TYR 42.A OH SER 37.A O no hydrogen 2.594 N/A ALA 43.A N VAL 173.A O no hydrogen 2.882 N/A SER 47.A N ALA 44.A O no hydrogen 2.955 N/A SER 47.A OG ALA 44.A O no hydrogen 2.958 N/A LYS 49.A N THR 77.A O no hydrogen 3.094 N/A ASP 51.A N SER 75.A O no hydrogen 2.717 N/A ALA 55.A N LEU 159.A O no hydrogen 3.117 N/A SER 58.A N THR 156.A OG1 no hydrogen 3.133 N/A SER 58.A OG ASP 56.A O no hydrogen 2.839 N/A LEU 60.A N THR 154.A O no hydrogen 2.879 N/A GLU 61.A N GLN 68.A O no hydrogen 2.825 N/A ASN 62.A N THR 152.A O no hydrogen 2.918 N/A ASN 62.A ND2 ILE 147.A O no hydrogen 2.758 N/A LEU 63.A N GLY 66.A O no hydrogen 2.983 N/A GLY 64.A N ASN 62.A OD1 no hydrogen 2.793 N/A GLN 68.A N GLU 61.A O no hydrogen 3.240 N/A VAL 69.A N PHE 88.A O no hydrogen 2.793 N/A THR 70.A N LYS 59.A O no hydrogen 2.849 N/A SER 75.A N ASP 51.A O no hydrogen 2.929 N/A LEU 76.A N TYR 83.A O no hydrogen 2.876 N/A THR 77.A N LYS 49.A O no hydrogen 2.786 N/A ALA 78.A N LYS 81.A O no hydrogen 2.828 N/A ASN 79.A N SER 47.A O no hydrogen 3.121 N/A LYS 81.A N ALA 78.A O no hydrogen 3.314 N/A LYS 81.A NZ GLU 117.A OE1 no hydrogen 3.064 N/A LYS 81.A NZ GLU 117.A OE2 no hydrogen 3.223 N/A TYR 83.A N LEU 76.A O no hydrogen 2.807 N/A THR 84.A N GLN 112.A O no hydrogen 2.616 N/A THR 84.A OG1 GLY 74.A O no hydrogen 3.319 N/A LEU 85.A N GLY 74.A O no hydrogen 2.715 N/A ALA 86.A N VAL 110.A O no hydrogen 2.830 N/A PHE 88.A N VAL 69.A O no hydrogen 3.049 N/A HIS 89.A N HIS 108.A O no hydrogen 2.881 N/A HIS 89.A ND1 GLN 87.A OE1 no hydrogen 3.081 N/A PHE 90.A N LEU 67.A O no hydrogen 3.134 N/A HIS 91.A N GLU 106.A O no hydrogen 2.773 N/A HIS 91.A ND1 ASN 215.A O no hydrogen 2.840 N/A THR 92.A N ASN 215.A OD1 no hydrogen 2.830 N/A THR 92.A OG1 PRO 104.A O no hydrogen 2.787 N/A SER 94.A N PHE 103.A O no hydrogen 2.707 N/A SER 94.A OG HIS 96.A O no hydrogen 2.719 N/A SER 94.A OG PHE 103.A O no hydrogen 3.400 N/A GLU 95.A N GLU 106.A OE1 no hydrogen 2.747 N/A HIS 96.A N GLU 106.A OE1 no hydrogen 2.963 N/A HIS 96.A ND1 GLU 106.A OE2 no hydrogen 2.975 N/A HIS 96.A NE2 TYR 176.A OH no hydrogen 2.917 N/A VAL 98.A N GLU 101.A O no hydrogen 2.971 N/A ASN 99.A N ILE 35.A O no hydrogen 2.865 N/A ASN 99.A ND2 SER 37.A OG no hydrogen 3.423 N/A GLU 101.A N VAL 98.A O no hydrogen 2.839 N/A PHE 103.A N SER 94.A OG no hydrogen 3.085 N/A GLU 106.A N HIS 91.A O no hydrogen 2.848 N/A VAL 107.A N PHE 123.A O no hydrogen 2.998 N/A HIS 108.A N HIS 89.A O no hydrogen 2.779 N/A HIS 108.A NE2 GLU 106.A OE2 no hydrogen 2.872 N/A PHE 109.A N VAL 121.A O no hydrogen 2.731 N/A VAL 110.A N GLN 87.A O no hydrogen 2.883 N/A PHE 111.A N ALA 119.A O no hydrogen 2.962 N/A GLN 112.A N THR 84.A O no hydrogen 2.797 N/A THR 113.A N GLU 117.A O no hydrogen 3.055 N/A THR 113.A OG1 GLU 117.A OE1 no hydrogen 2.680 N/A ALA 115.A N THR 113.A OG1 no hydrogen 3.226 N/A LYS 116.A N THR 113.A O no hydrogen 2.773 N/A LYS 116.A NZ GLN 112.A OE1 no hydrogen 3.258 N/A GLU 117.A N THR 113.A OG1 no hydrogen 3.332 N/A ALA 119.A N PHE 111.A O no hydrogen 3.097 N/A VAL 120.A N MET 190.A O no hydrogen 2.716 N/A VAL 121.A N PHE 109.A O no hydrogen 2.907 N/A GLY 122.A N ASN 192.A O no hydrogen 2.820 N/A PHE 123.A N VAL 107.A O no hydrogen 3.020 N/A PHE 125.A N MET 105.A O no hydrogen 2.789 N/A GLN 126.A N LEU 198.A O no hydrogen 2.773 N/A SER 128.A N LEU 200.A O no hydrogen 2.708 N/A GLY 131.A N SER 128.A O no hydrogen 3.464 N/A ASP 132.A N SER 128.A OG no hydrogen 3.218 N/A SER 133.A OG ASP 138.A OD1 no hydrogen 2.583 N/A SER 133.A OG ASP 138.A OD2 no hydrogen 2.989 N/A ASP 138.A N VAL 134.A O no hydrogen 2.857 N/A SER 139.A N PRO 135.A O no hydrogen 2.753 N/A SER 139.A OG GLN 158.A O no hydrogen 2.955 N/A VAL 140.A N LEU 136.A O no hydrogen 2.916 N/A PHE 141.A N PHE 137.A O no hydrogen 2.773 N/A ALA 142.A N ASP 138.A O no hydrogen 2.833 N/A ILE 144.A N PHE 141.A O no hydrogen 2.979 N/A ASN 146.A N PRO 143.A O no hydrogen 2.781 N/A ASN 146.A ND2 THR 154.A OG1 no hydrogen 3.415 N/A ILE 147.A N ILE 144.A O no hydrogen 3.036 N/A GLY 151.A N ASN 62.A O no hydrogen 2.743 N/A THR 152.A OG1 ASP 149.A O no hydrogen 3.301 N/A THR 154.A N LEU 60.A O no hydrogen 2.817 N/A THR 155.A N THR 154.A OG1 no hydrogen 2.590 N/A THR 156.A N SER 58.A O no hydrogen 3.024 N/A THR 156.A OG1 GLY 157.A O no hydrogen 2.865 N/A LEU 159.A N ALA 55.A O no hydrogen 2.991 N/A GLY 162.A N ASP 160.A OD2 no hydrogen 2.944 N/A LEU 165.A N PHE 161.A O no hydrogen 2.802 N/A ASP 166.A N GLY 162.A O no hydrogen 3.278 N/A HIS 167.A N GLY 163.A O no hydrogen 2.991 N/A HIS 167.A NE2 GLU 196.A O no hydrogen 2.548 N/A PHE 168.A N LEU 164.A O no hydrogen 2.856 N/A ASN 169.A N LEU 165.A O no hydrogen 2.963 N/A ARG 170.A N ASP 166.A O no hydrogen 2.917 N/A ARG 170.A N HIS 167.A O no hydrogen 3.073 N/A TYR 174.A N LEU 193.A O no hydrogen 2.767 N/A GLN 175.A N ASP 41.A O no hydrogen 2.836 N/A TYR 176.A N TRP 191.A O no hydrogen 3.138 N/A TYR 176.A OH SER 31.A OG no hydrogen 2.593 N/A TYR 176.A OH HIS 96.A NE2 no hydrogen 2.917 N/A GLY 178.A N VAL 189.A O no hydrogen 2.927 N/A SER 179.A N SER 31.A OG no hydrogen 2.977 N/A SER 179.A OG LEU 180.A O no hydrogen 2.758 N/A LEU 180.A N THR 186.A O no hydrogen 3.053 N/A THR 181.A OG1 GLU 95.A OE1 no hydrogen 2.641 N/A CYS 185.A N THR 182.A O no hydrogen 2.540 N/A CYS 185.A SG THR 182.A O no hydrogen 3.756 N/A VAL 189.A N GLY 178.A O no hydrogen 3.001 N/A MET 190.A N THR 118.A O no hydrogen 3.095 N/A TRP 191.A N TYR 176.A O no hydrogen 2.809 N/A TRP 191.A NE1 SER 179.A O no hydrogen 2.806 N/A ASN 192.A N VAL 120.A O no hydrogen 2.946 N/A LEU 193.A N TYR 174.A O no hydrogen 2.857 N/A SER 194.A N GLY 122.A O no hydrogen 3.066 N/A THR 195.A N GLY 172.A O no hydrogen 3.057 N/A THR 195.A OG1 GLY 172.A O no hydrogen 3.562 N/A LEU 198.A N PHE 124.A O no hydrogen 2.631 N/A LEU 200.A N GLN 126.A O no hydrogen 3.169 N/A GLY 204.A N THR 201.A OG1 no hydrogen 3.282 N/A TYR 205.A N THR 201.A O no hydrogen 2.844 N/A ASN 206.A N VAL 202.A O no hydrogen 2.926 N/A LYS 207.A N GLN 203.A O no hydrogen 3.086 N/A LYS 207.A NZ ASP 145.A OD1 no hydrogen 3.456 N/A VAL 208.A N GLY 204.A O no hydrogen 2.944 N/A LYS 209.A N TYR 205.A O no hydrogen 2.908 N/A LYS 210.A N ASN 206.A O no hydrogen 2.986 N/A ILE 212.A N VAL 208.A O no hydrogen 2.731 N/A LYS 213.A N LYS 209.A O no hydrogen 2.657 N/A LYS 213.A NZ LYS 210.A O no hydrogen 3.172 N/A TYR 214.A N ILE 212.A O no hydrogen 3.039 N/A TYR 214.A OH ALA 216.A O no hydrogen 3.396 N/A ASN 215.A N THR 92.A O no hydrogen 3.349 N/A ASN 215.A ND2 PHE 65.A O no hydrogen 3.447 N/A ASN 215.A ND2 PHE 90.A O no hydrogen 2.987 N/A ARG 217.A N GLU 95.A OE2 no hydrogen 2.746 N/A ARG 217.A NH1 GLN 30.A OE1 no hydrogen 3.002 N/A ARG 217.A NH1 SER 31.A O no hydrogen 2.686 N/A ARG 217.A NH2 GLN 30.A OE1 no hydrogen 3.013 N/A GLN 220.A N PRO 32.A O no hydrogen 2.932 N/A ASN 221.A ND2 ASP 226.A O no hydrogen 2.742 N/A ALA 222.A N ASN 221.A OD1 no hydrogen 2.739 N/A GLY 224.A N LYS 28.A O no hydrogen 2.566 N/A GLN 225.A N ALA 222.A O no hydrogen 3.166 N/A ASN 227.A ND2 ALA 23.A O no hydrogen 3.569 N/A ASN 227.A ND2 CYS 24.A O no hydrogen 2.731 N/A ASN 227.A ND2 GLY 27.A O no hydrogen 3.354 N/A LEU 229.A N ASN 227.A OD1 no hydrogen 3.018 N/A VAL 231.A N ASN 227.A O no hydrogen 3.181 N/A ALA 233.A N GLU 230.A O no hydrogen 3.045 N/A LYS 235.A NZ ALA 233.A O no hydrogen 3.218 N/A