Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qmv_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 5.A N GLN 1.A O no hydrogen 3.261 N/A PHE 6.A N ARG 2.A O.A no hydrogen 2.888 N/A PHE 6.A N ARG 2.A O.B no hydrogen 2.752 N/A ALA 21.A N ASP 19.A OD1 no hydrogen 3.153 N/A ALA 22.A N ASP 19.A O no hydrogen 2.994 N/A ALA 23.A N ASP 19.A O no hydrogen 2.863 N/A ARG 26.A N ASP 91.A O no hydrogen 2.975 N/A ARG 26.A NE HIS 90.A O no hydrogen 3.283 N/A ARG 26.A NE ASP 91.A O no hydrogen 3.163 N/A ARG 26.A NH1 ARG 87.A O no hydrogen 2.819 N/A ARG 26.A NH1 HIS 90.A O no hydrogen 2.894 N/A ARG 26.A NH2 PRO 20.A O no hydrogen 2.804 N/A LEU 27.A N ALA 52.A O no hydrogen 2.807 N/A VAL 28.A N ALA 93.A O no hydrogen 2.806 N/A CYS 29.A N VAL 54.A O no hydrogen 2.868 N/A CYS 29.A SG LEU 27.A O no hydrogen 3.582 N/A PHE 30.A N PHE 95.A O no hydrogen 2.878 N/A TYR 32.A OH ASN 225.A OD1 no hydrogen 3.253 N/A GLY 34.A N ASP 167.A OD2 no hydrogen 2.696 N/A GLY 35.A N TYR 32.A O no hydrogen 2.884 N/A THR 36.A OG1 SER 38.A OG no hydrogen 3.131 N/A VAL 37.A N GLN 57.A OE1 no hydrogen 3.386 N/A SER 38.A N THR 36.A OG1 no hydrogen 3.114 N/A SER 38.A OG THR 36.A OG1 no hydrogen 3.131 N/A ALA 39.A N THR 36.A O no hydrogen 3.158 N/A PHE 40.A N VAL 37.A O no hydrogen 3.088 N/A ARG 41.A N SER 38.A O no hydrogen 3.188 N/A TRP 43.A N PHE 40.A O no hydrogen 3.090 N/A GLN 44.A NE2 GLN 44.A O no hydrogen 3.059 N/A GLN 44.A NE2 VAL 51.A O no hydrogen 2.759 N/A GLU 45.A N.A GLU 45.A OE1.A no hydrogen 3.215 N/A ARG 46.A N GLY 42.A O no hydrogen 3.275 N/A ARG 46.A NH1 ASP 231.A OD1 no hydrogen 3.103 N/A ARG 46.A NH2 ASP 231.A OD1 no hydrogen 2.587 N/A LEU 47.A N TRP 43.A O no hydrogen 2.938 N/A GLY 48.A N GLN 44.A O no hydrogen 3.076 N/A ALA 52.A N LEU 25.A O no hydrogen 2.849 N/A VAL 53.A N GLN 44.A OE1 no hydrogen 2.892 N/A VAL 54.A N LEU 27.A O no hydrogen 2.887 N/A VAL 56.A N CYS 29.A O no hydrogen 2.912 N/A GLY 60.A N ARG 64.A O no hydrogen 2.941 N/A ARG 61.A NE LEU 58.A O no hydrogen 3.035 N/A ARG 61.A NH1 GLY 35.A O no hydrogen 3.087 N/A ARG 61.A NH1 ASP 167.A OD2 no hydrogen 2.862 N/A ARG 61.A NH2 PRO 59.A O no hydrogen 3.151 N/A ARG 61.A NH2 ASP 167.A OD1 no hydrogen 3.065 N/A ARG 64.A N ARG 61.A O no hydrogen 2.856 N/A ARG 64.A NE GLU 67.A OE1 no hydrogen 2.791 N/A ARG 64.A NH1 GLN 57.A O no hydrogen 2.921 N/A ARG 64.A NH2 GLU 67.A OE1 no hydrogen 3.510 N/A ARG 64.A NH2 GLU 67.A OE2 no hydrogen 2.802 N/A LEU 65.A N GLY 62.A O no hydrogen 3.321 N/A GLU 67.A N ARG 64.A O no hydrogen 3.064 N/A THR 72.A OG1 ASP 71.A OD1 no hydrogen 3.222 N/A LEU 75.A N THR 72.A O no hydrogen 3.432 N/A GLU 77.A N GLU 73.A O no hydrogen 2.882 N/A ALA 78.A N PRO 74.A O no hydrogen 2.928 N/A VAL 79.A N LEU 75.A O no hydrogen 2.969 N/A ALA 80.A N ALA 76.A O no hydrogen 2.837 N/A ASP 81.A N GLU 77.A O no hydrogen 2.826 N/A ALA 82.A N ALA 78.A O no hydrogen 3.085 N/A LEU 83.A N VAL 79.A O no hydrogen 2.798 N/A GLU 84.A N ALA 80.A O no hydrogen 3.054 N/A GLU 85.A N ASP 81.A O no hydrogen 2.938 N/A HIS 86.A N ALA 82.A O no hydrogen 3.072 N/A ARG 87.A N GLU 84.A O no hydrogen 3.036 N/A LEU 88.A N LEU 83.A O no hydrogen 2.833 N/A THR 89.A OG1 GLU 84.A OE1 no hydrogen 2.942 N/A TYR 92.A OH PRO 116.A O no hydrogen 2.744 N/A ALA 93.A N ARG 26.A O no hydrogen 2.820 N/A LEU 94.A N HIS 120.A O no hydrogen 3.071 N/A PHE 95.A N VAL 28.A O no hydrogen 2.766 N/A GLY 96.A N PHE 122.A O no hydrogen 3.107 N/A HIS 97.A N PHE 30.A O no hydrogen 3.434 N/A HIS 97.A ND1 SER 124.A OG no hydrogen 2.833 N/A HIS 97.A NE2 HIS 221.A O no hydrogen 2.909 N/A SER 98.A N.A SER 124.A O no hydrogen 2.752 N/A SER 98.A N.B SER 124.A O no hydrogen 2.803 N/A SER 98.A OG.A GLY 125.A O no hydrogen 3.406 N/A SER 98.A OG.A HIS 221.A NE2 no hydrogen 3.019 N/A SER 98.A OG.B GLY 125.A O no hydrogen 2.993 N/A SER 98.A OG.B HIS 221.A NE2 no hydrogen 3.248 N/A ALA 100.A N SER 98.A O.A no hydrogen 2.803 N/A ALA 100.A N SER 98.A O.B no hydrogen 2.779 N/A LEU 101.A N SER 98.A O.A no hydrogen 3.476 N/A LEU 101.A N SER 98.A O.B no hydrogen 3.446 N/A ALA 103.A N GLY 99.A O no hydrogen 2.921 N/A TYR 104.A N ALA 100.A O no hydrogen 2.985 N/A GLU 105.A N LEU 101.A O no hydrogen 2.852 N/A VAL 106.A N LEU 102.A O no hydrogen 2.726 N/A ALA 107.A N ALA 103.A O no hydrogen 2.917 N/A CYS 108.A N TYR 104.A O no hydrogen 2.940 N/A CYS 108.A SG TYR 104.A O no hydrogen 3.340 N/A VAL 109.A N GLU 105.A O no hydrogen 2.911 N/A LEU 110.A N VAL 106.A O no hydrogen 2.912 N/A ARG 111.A N ALA 107.A O no hydrogen 2.993 N/A ARG 111.A NH1 PRO 180.A O no hydrogen 3.465 N/A ARG 111.A NH1 PRO 181.A O no hydrogen 2.732 N/A ARG 111.A NH2 PRO 180.A O no hydrogen 2.961 N/A ARG 112.A N CYS 108.A O no hydrogen 3.021 N/A ARG 113.A N VAL 109.A O no hydrogen 2.996 N/A ARG 113.A NH1 ASP 81.A OD1 no hydrogen 2.638 N/A ARG 113.A NH2 ASP 81.A OD1 no hydrogen 3.064 N/A GLY 114.A N ARG 111.A O no hydrogen 2.866 N/A ALA 115.A N LEU 110.A O no hydrogen 2.939 N/A ARG 117.A NH1 PRO 118.A O no hydrogen 2.683 N/A ARG 119.A N TYR 92.A O no hydrogen 2.691 N/A ARG 119.A NH1 ARG 117.A O no hydrogen 2.920 N/A HIS 120.A NE2 THR 187.A OG1 no hydrogen 2.815 N/A LEU 121.A N PRO 185.A O no hydrogen 2.909 N/A PHE 122.A N LEU 94.A O no hydrogen 2.812 N/A VAL 123.A N THR 187.A O no hydrogen 2.941 N/A SER 124.A N GLY 96.A O no hydrogen 2.985 N/A SER 124.A OG HIS 97.A ND1 no hydrogen 2.833 N/A GLY 125.A N PHE 189.A O no hydrogen 3.086 N/A SER 126.A OG ARG 127.A O no hydrogen 2.771 N/A SER 126.A OG TYR 132.A OH no hydrogen 2.585 N/A ARG 127.A NH1 LEU 131.A O no hydrogen 3.235 N/A ARG 127.A NH1 ASP 134.A OD2 no hydrogen 3.158 N/A ARG 127.A NH2 ILE 196.A O no hydrogen 3.290 N/A HIS 130.A N TYR 207.A OH no hydrogen 3.184 N/A HIS 130.A ND1 TYR 207.A OH no hydrogen 2.568 N/A LEU 131.A N ALA 128.A O no hydrogen 2.943 N/A TYR 132.A N PRO 129.A O no hydrogen 3.216 N/A TYR 132.A OH SER 126.A OG no hydrogen 2.585 N/A ASP 134.A N ASP 134.A OD1 no hydrogen 2.644 N/A ARG 135.A NH2 ASP 137.A OD2 no hydrogen 2.884 N/A ASP 137.A N GLU 172.A OE2 no hydrogen 2.910 N/A HIS 138.A N GLU 172.A OE1 no hydrogen 2.948 N/A HIS 138.A ND1 GLU 172.A OE1 no hydrogen 2.427 N/A THR 139.A N ALA 136.A O no hydrogen 3.024 N/A THR 139.A OG1 ALA 136.A O no hydrogen 2.707 N/A LEU 140.A N ASP 137.A O no hydrogen 3.282 N/A ALA 144.A N SER 141.A OG no hydrogen 2.828 N/A LEU 145.A N SER 141.A O no hydrogen 2.903 N/A ARG 146.A N ASP 142.A O no hydrogen 3.114 N/A ARG 146.A NH1 ASP 158.A OD1 no hydrogen 2.887 N/A GLU 147.A N THR 143.A O no hydrogen 2.995 N/A VAL 148.A N ALA 144.A O no hydrogen 2.918 N/A ILE 149.A N LEU 145.A O no hydrogen 3.079 N/A ARG 150.A N ARG 146.A O no hydrogen 2.839 N/A ARG 150.A NH2 GLU 147.A OE2 no hydrogen 2.983 N/A ASP 151.A N GLU 147.A O no hydrogen 2.806 N/A LEU 152.A N VAL 148.A O no hydrogen 2.967 N/A GLY 153.A N ILE 149.A O no hydrogen 3.085 N/A GLY 153.A N ARG 150.A O no hydrogen 3.179 N/A GLY 154.A N ILE 149.A O no hydrogen 2.947 N/A VAL 163.A N ARG 160.A O no hydrogen 3.233 N/A LEU 164.A N ARG 160.A O no hydrogen 2.994 N/A ARG 165.A N LEU 161.A O no hydrogen 2.989 N/A ARG 165.A NH1 HIS 138.A O no hydrogen 2.991 N/A ARG 165.A NH1 LEU 140.A O no hydrogen 2.741 N/A ARG 165.A NH2 LEU 140.A O no hydrogen 2.877 N/A ARG 165.A NH2 ASP 142.A OD1 no hydrogen 2.848 N/A ALA 166.A N PRO 162.A O no hydrogen 3.235 N/A ASP 167.A N VAL 163.A O no hydrogen 2.980 N/A LEU 168.A N LEU 164.A O no hydrogen 2.920 N/A ARG 169.A N ARG 165.A O no hydrogen 2.823 N/A ARG 169.A NE ASP 71.A OD2 no hydrogen 3.547 N/A ALA 170.A N ALA 166.A O no hydrogen 3.039 N/A CYS 171.A N ASP 167.A O no hydrogen 3.414 N/A CYS 171.A SG ASP 167.A O no hydrogen 3.513 N/A GLU 172.A N LEU 168.A O no hydrogen 2.847 N/A ARG 173.A N ARG 169.A O no hydrogen 2.818 N/A TYR 174.A N CYS 171.A O no hydrogen 3.222 N/A TYR 174.A OH GLU 105.A OE2 no hydrogen 2.413 N/A ARG 179.A NH1 GLU 105.A OE1 no hydrogen 3.051 N/A ARG 179.A NH2 GLU 105.A OE1 no hydrogen 3.357 N/A LEU 182.A N TYR 207.A O no hydrogen 2.751 N/A CYS 184.A SG PRO 185.A O no hydrogen 4.002 N/A THR 186.A N SER 211.A O no hydrogen 2.830 N/A THR 186.A OG1 CYS 184.A O no hydrogen 3.100 N/A THR 187.A N LEU 121.A O no hydrogen 2.904 N/A THR 187.A OG1 HIS 120.A NE2 no hydrogen 2.815 N/A THR 187.A OG1 GLU 240.A OE1 no hydrogen 2.749 N/A ALA 188.A N LEU 213.A O no hydrogen 2.792 N/A PHE 189.A N VAL 123.A O no hydrogen 2.783 N/A SER 190.A N ARG 215.A O no hydrogen 2.949 N/A SER 190.A OG HIS 216.A ND1 no hydrogen 2.938 N/A ALA 192.A N LEU 217.A O no hydrogen 2.699 N/A ALA 193.A N GLY 219.A O no hydrogen 2.960 N/A ASP 194.A N ALA 191.A O no hydrogen 3.190 N/A ALA 197.A N ASP 194.A OD1 no hydrogen 3.092 N/A THR 198.A OG1 GLU 200.A OE1 no hydrogen 3.439 N/A GLU 200.A N GLU 200.A OE1 no hydrogen 2.908 N/A GLU 202.A N PRO 199.A O no hydrogen 2.764 N/A ALA 203.A N GLU 200.A O no hydrogen 3.119 N/A TRP 204.A N VAL 201.A O no hydrogen 3.078 N/A TRP 204.A NE1 SER 126.A O no hydrogen 2.973 N/A ARG 205.A N GLU 202.A O no hydrogen 2.922 N/A ARG 205.A NE GLU 202.A OE2 no hydrogen 2.628 N/A ARG 205.A NH2 GLU 202.A OE2 no hydrogen 2.942 N/A TYR 207.A N TRP 204.A O no hydrogen 2.840 N/A TYR 207.A OH HIS 130.A ND1 no hydrogen 2.568 N/A THR 208.A N ARG 205.A O no hydrogen 3.533 N/A THR 208.A OG1 LEU 182.A O no hydrogen 3.349 N/A THR 208.A OG1 CYS 184.A O no hydrogen 2.511 N/A THR 209.A N LEU 182.A O no hydrogen 2.822 N/A THR 209.A OG1 LEU 182.A O no hydrogen 3.379 N/A THR 209.A OG1 ASP 183.A OD1 no hydrogen 2.843 N/A GLY 210.A N THR 208.A OG1 no hydrogen 3.090 N/A LEU 213.A N THR 186.A O no hydrogen 3.063 N/A ARG 214.A NE GLU 202.A OE1 no hydrogen 2.670 N/A ARG 214.A NH1 SER 190.A OG no hydrogen 2.991 N/A ARG 215.A N ALA 188.A O no hydrogen 2.788 N/A HIS 216.A ND1 SER 190.A OG no hydrogen 2.938 N/A LEU 217.A N SER 190.A O no hydrogen 2.664 N/A HIS 221.A ND1 ASP 194.A OD2 no hydrogen 2.367 N/A HIS 221.A NE2 SER 98.A OG.A no hydrogen 3.019 N/A PHE 222.A N ASN 220.A OD1 no hydrogen 3.201 N/A PHE 223.A N ASN 220.A O no hydrogen 2.854 N/A ASN 225.A N PHE 222.A O no hydrogen 2.969 N/A ASN 225.A ND2 TYR 32.A OH no hydrogen 3.397 N/A SER 229.A OG PHE 223.A O no hydrogen 2.845 N/A ARG 230.A N GLY 227.A O no hydrogen 3.035 N/A ARG 230.A NH2 ARG 41.A O no hydrogen 2.939 N/A ASP 231.A N GLY 227.A O no hydrogen 3.317 N/A ARG 232.A N PRO 228.A O no hydrogen 3.071 N/A LEU 233.A N SER 229.A O no hydrogen 2.976 N/A LEU 234.A N ARG 230.A O no hydrogen 3.040 N/A ALA 235.A N ASP 231.A O no hydrogen 3.033 N/A HIS 236.A N ARG 232.A O no hydrogen 2.844 N/A LEU 237.A N LEU 233.A O no hydrogen 2.818 N/A GLY 238.A N LEU 234.A O no hydrogen 2.919 N/A THR 239.A N ALA 235.A O no hydrogen 3.064 N/A THR 239.A N HIS 236.A O no hydrogen 3.142 N/A THR 239.A OG1 HIS 236.A O no hydrogen 2.577 N/A GLU 240.A N LEU 237.A O no hydrogen 3.141 N/A