Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3iwr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N GLY 2.A O no hydrogen 3.172 N/A SER 5.A OG GLY 2.A O no hydrogen 2.683 N/A ILE 6.A N VAL 3.A O no hydrogen 3.167 N/A VAL 7.A N VAL 3.A O no hydrogen 3.057 N/A ARG 9.A NH1 GLU 33.A OE2 no hydrogen 2.835 N/A ARG 9.A NH2 GLU 33.A OE2 no hydrogen 2.961 N/A PHE 12.A N PRO 8.A O no hydrogen 3.130 N/A GLU 13.A N ARG 9.A O no hydrogen 3.078 N/A ARG 14.A N ASP 10.A O no hydrogen 3.209 N/A ARG 14.A N LEU 11.A O no hydrogen 3.084 N/A LEU 15.A N LEU 11.A O no hydrogen 2.675 N/A LEU 16.A N PHE 12.A O no hydrogen 3.033 N/A HIS 18.A N SER 82.A O no hydrogen 3.158 N/A HIS 18.A ND1 ASP 21.A OD1 no hydrogen 3.304 N/A HIS 18.A NE2 ASP 78.A OD2 no hydrogen 2.532 N/A ARG 19.A NE TYR 30.A O no hydrogen 2.930 N/A ARG 19.A NH1 GLU 13.A OE1 no hydrogen 2.935 N/A ARG 19.A NH1 LEU 16.A O no hydrogen 2.918 N/A ARG 19.A NH2 GLU 13.A OE1 no hydrogen 3.019 N/A ARG 19.A NH2 GLU 13.A OE2 no hydrogen 3.301 N/A ARG 19.A NH2 TYR 30.A O no hydrogen 3.124 N/A ASP 21.A N HIS 18.A O no hydrogen 2.749 N/A CYS 24.A N ASP 21.A O no hydrogen 3.233 N/A CYS 24.A SG HIS 18.A O no hydrogen 3.836 N/A ALA 26.A N CYS 86.A O no hydrogen 3.017 N/A ARG 27.A N CYS 24.A O no hydrogen 3.257 N/A GLY 28.A N ASN 20.A OD1 no hydrogen 2.685 N/A PHE 29.A N ALA 26.A O no hydrogen 2.988 N/A TYR 30.A OH PHE 87.A O no hydrogen 2.893 N/A TYR 32.A OH VAL 7.A O no hydrogen 2.778 N/A ALA 34.A N THR 31.A OG1 no hydrogen 3.181 N/A PHE 35.A N THR 31.A O no hydrogen 3.073 N/A LEU 36.A N TYR 32.A O no hydrogen 3.074 N/A ALA 37.A N GLU 33.A O no hydrogen 3.035 N/A ALA 38.A N ALA 34.A O no hydrogen 2.945 N/A ALA 39.A N PHE 35.A O no hydrogen 2.783 N/A ALA 40.A N LEU 36.A O no hydrogen 2.723 N/A ALA 41.A N ALA 38.A O no hydrogen 3.049 N/A PHE 42.A N ALA 39.A O no hydrogen 2.819 N/A PHE 45.A N PHE 42.A O no hydrogen 2.902 N/A GLY 46.A N GLU 57.A OE1 no hydrogen 3.258 N/A GLY 47.A N ALA 44.A O no hydrogen 3.054 N/A THR 48.A OG1 ALA 44.A O no hydrogen 2.799 N/A ARG 54.A N ASN 50.A O no hydrogen 3.073 N/A ARG 54.A NE GLY 49.A O no hydrogen 2.872 N/A LYS 55.A N THR 51.A O no hydrogen 2.937 N/A ARG 56.A N GLU 52.A O no hydrogen 2.875 N/A ARG 56.A NE GLY 230.A O no hydrogen 2.997 N/A ARG 56.A NH2 GLY 230.A O no hydrogen 3.113 N/A GLU 57.A N THR 53.A O no hydrogen 2.892 N/A VAL 58.A N ARG 54.A O no hydrogen 3.289 N/A ALA 59.A N LYS 55.A O no hydrogen 2.903 N/A ALA 60.A N ARG 56.A O no hydrogen 2.761 N/A PHE 61.A N GLU 57.A O no hydrogen 2.938 N/A LEU 62.A N VAL 58.A O no hydrogen 2.942 N/A GLY 63.A N ALA 59.A O no hydrogen 2.708 N/A GLN 64.A N ALA 60.A O no hydrogen 2.939 N/A GLN 64.A NE2 THR 196.A OG1 no hydrogen 3.118 N/A THR 65.A N PHE 61.A O no hydrogen 3.031 N/A THR 65.A OG1 PHE 61.A O no hydrogen 2.671 N/A THR 65.A OG1 LEU 62.A O no hydrogen 3.335 N/A THR 65.A OG1 TYR 85.A OH no hydrogen 2.826 N/A SER 66.A N LEU 62.A O no hydrogen 2.854 N/A SER 66.A OG LEU 62.A O no hydrogen 2.687 N/A SER 66.A OG TYR 223.A OH no hydrogen 2.650 N/A HIS 67.A N GLY 63.A O no hydrogen 3.190 N/A HIS 67.A ND1 ASN 215.A OD1 no hydrogen 2.289 N/A GLU 68.A N GLN 64.A O no hydrogen 3.246 N/A THR 69.A N SER 66.A O no hydrogen 3.199 N/A THR 69.A OG1 THR 65.A O no hydrogen 2.682 N/A THR 69.A OG1 SER 66.A O no hydrogen 3.354 N/A THR 70.A OG1 TRP 83.A O no hydrogen 3.564 N/A GLY 71.A N TRP 83.A O no hydrogen 3.128 N/A GLY 72.A N THR 70.A OG1 no hydrogen 2.983 N/A ALA 76.A N TRP 73.A O no hydrogen 2.928 N/A GLY 79.A N ALA 76.A O no hydrogen 2.930 N/A SER 82.A N GLY 79.A O no hydrogen 3.486 N/A SER 82.A OG PRO 77.A O no hydrogen 3.246 N/A SER 82.A OG ASP 78.A O no hydrogen 2.892 N/A SER 82.A OG GLY 79.A O no hydrogen 2.908 N/A TRP 83.A NE1 PRO 77.A O no hydrogen 3.048 N/A TYR 85.A N THR 69.A OG1 no hydrogen 2.951 N/A TYR 85.A OH THR 65.A OG1 no hydrogen 2.826 N/A CYS 86.A N THR 69.A O no hydrogen 2.901 N/A PHE 87.A N THR 69.A O no hydrogen 3.220 N/A LYS 88.A NZ ALA 145.A O no hydrogen 2.756 N/A GLU 90.A N GLY 114.A O no hydrogen 2.821 N/A TYR 97.A N SER 95.A OG no hydrogen 3.040 N/A TYR 97.A OH GLU 90.A OE2 no hydrogen 2.614 N/A GLN 99.A N ASN 123.A OD1 no hydrogen 2.867 N/A TRP 104.A N SER 101.A O no hydrogen 3.138 N/A ALA 107.A N TYR 112.A OH no hydrogen 2.835 N/A ARG 110.A N ALA 107.A O no hydrogen 2.876 N/A LYS 111.A NZ GLY 109.A O no hydrogen 2.833 N/A TYR 112.A N ASP 96.A O no hydrogen 2.853 N/A TYR 112.A OH LEU 138.A O no hydrogen 2.644 N/A GLY 114.A N GLU 90.A OE1 no hydrogen 2.813 N/A ARG 115.A N LEU 120.A O no hydrogen 3.135 N/A ARG 115.A NH1 LYS 111.A O no hydrogen 2.771 N/A ARG 115.A NH1 TYR 126.A OH no hydrogen 3.159 N/A ARG 115.A NH2 LYS 111.A O no hydrogen 3.081 N/A ARG 115.A NH2 ASP 142.A OD1 no hydrogen 3.034 N/A GLY 116.A N LYS 88.A O no hydrogen 2.857 N/A GLN 119.A N GLY 116.A O no hydrogen 3.215 N/A GLN 119.A NE2 GLY 116.A O no hydrogen 3.644 N/A LEU 120.A N ARG 115.A O no hydrogen 2.980 N/A SER 121.A OG GLN 119.A O no hydrogen 2.800 N/A PHE 122.A N TYR 112.A O no hydrogen 2.826 N/A ASN 123.A N TYR 97.A O no hydrogen 3.316 N/A ASN 123.A ND2 GLN 99.A O no hydrogen 2.927 N/A ASN 123.A ND2 TRP 104.A O no hydrogen 2.900 N/A ASN 125.A N PHE 122.A O no hydrogen 2.882 N/A ASN 125.A ND2 PHE 124.A O no hydrogen 3.128 N/A TYR 126.A N PHE 122.A O no hydrogen 3.062 N/A TYR 126.A OH TYR 113.A O no hydrogen 2.666 N/A TYR 126.A OH LEU 120.A O no hydrogen 3.008 N/A GLY 127.A N ASN 123.A O no hydrogen 3.088 N/A ALA 129.A N ASN 125.A O no hydrogen 3.191 N/A GLY 130.A N TYR 126.A O no hydrogen 2.882 N/A GLY 130.A N GLY 127.A O no hydrogen 2.929 N/A ARG 131.A N GLY 127.A O no hydrogen 3.031 N/A ALA 132.A N PRO 128.A O no hydrogen 2.903 N/A ILE 133.A N GLY 130.A O no hydrogen 3.213 N/A GLY 134.A N ARG 131.A O no hydrogen 3.257 N/A VAL 135.A N GLY 130.A O no hydrogen 2.996 N/A SER 139.A OG ASP 136.A OD2 no hydrogen 2.420 N/A ASN 140.A N ASP 136.A O no hydrogen 3.133 N/A LEU 143.A N ASN 140.A O no hydrogen 2.993 N/A VAL 144.A N PRO 141.A O no hydrogen 3.011 N/A ALA 145.A N ASP 142.A O no hydrogen 2.978 N/A THR 146.A N LEU 143.A O no hydrogen 3.358 N/A THR 146.A OG1 ASP 142.A O no hydrogen 2.884 N/A ASP 147.A N LEU 143.A O no hydrogen 2.927 N/A THR 149.A N ASP 147.A OD1 no hydrogen 2.854 N/A VAL 150.A N ASP 147.A OD1 no hydrogen 3.311 N/A SER 151.A N ASP 147.A O no hydrogen 2.912 N/A SER 151.A OG VAL 144.A O no hydrogen 2.867 N/A PHE 152.A N ALA 148.A O no hydrogen 3.064 N/A LYS 153.A N THR 149.A O no hydrogen 2.860 N/A THR 154.A N VAL 150.A O no hydrogen 2.953 N/A THR 154.A N SER 151.A O no hydrogen 3.124 N/A THR 154.A OG1 SER 151.A O no hydrogen 2.595 N/A ALA 155.A N SER 151.A O no hydrogen 3.395 N/A LEU 156.A N PHE 152.A O no hydrogen 2.900 N/A TRP 157.A N LYS 153.A O no hydrogen 2.759 N/A PHE 158.A N THR 154.A O no hydrogen 3.020 N/A TRP 159.A N ALA 155.A O no hydrogen 2.975 N/A TRP 159.A NE1 GLU 57.A OE2 no hydrogen 3.007 N/A MET 160.A N LEU 156.A O no hydrogen 2.802 N/A THR 161.A OG1 TRP 157.A O no hydrogen 2.481 N/A GLN 163.A N LYS 166.A O no hydrogen 3.204 N/A LYS 166.A N GLN 163.A O no hydrogen 2.982 N/A HIS 170.A N TRP 159.A O no hydrogen 3.122 N/A HIS 170.A ND1 GLU 57.A OE1 no hydrogen 3.137 N/A HIS 170.A ND1 GLU 57.A OE2 no hydrogen 2.384 N/A ASP 171.A N SER 168.A OG no hydrogen 2.768 N/A VAL 172.A N SER 168.A O no hydrogen 3.196 N/A ILE 173.A N SER 169.A O no hydrogen 2.971 N/A THR 174.A N HIS 170.A O no hydrogen 3.095 N/A THR 174.A OG1 HIS 170.A O no hydrogen 2.709 N/A GLY 175.A N VAL 172.A O no hydrogen 3.249 N/A ARG 176.A NE ASP 171.A OD1 no hydrogen 3.190 N/A TRP 177.A N ASP 171.A O no hydrogen 2.813 N/A SER 180.A N ASP 183.A OD2 no hydrogen 2.893 N/A ASP 183.A N SER 180.A O no hydrogen 3.384 N/A ASP 183.A N SER 180.A OG no hydrogen 3.107 N/A ALA 184.A N SER 180.A O no hydrogen 3.463 N/A ALA 185.A N PRO 181.A O no hydrogen 2.985 N/A ALA 186.A N ALA 182.A O no hydrogen 3.459 N/A GLY 187.A N ALA 184.A O no hydrogen 2.921 N/A ARG 188.A N ASP 183.A O no hydrogen 2.898 N/A ARG 188.A NE ASP 183.A OD1 no hydrogen 2.982 N/A ARG 188.A NH1 ARG 241.A O no hydrogen 3.057 N/A ARG 188.A NH2 ASP 183.A OD1 no hydrogen 3.280 N/A TYR 192.A OH ARG 216.A O no hydrogen 2.659 N/A GLY 193.A N ASN 234.A O no hydrogen 2.968 N/A VAL 194.A N GLY 191.A O no hydrogen 3.172 N/A THR 196.A N TYR 192.A O no hydrogen 3.088 N/A ASN 197.A N GLY 193.A O no hydrogen 2.898 N/A ASN 197.A ND2 ARG 241.A O no hydrogen 3.117 N/A ILE 198.A N VAL 194.A O no hydrogen 2.801 N/A VAL 199.A N ILE 195.A O no hydrogen 2.876 N/A ASN 200.A N THR 196.A O no hydrogen 2.987 N/A GLY 201.A N ASN 197.A O no hydrogen 3.107 N/A GLU 204.A N ASN 200.A O no hydrogen 3.134 N/A GLU 204.A N GLY 201.A O no hydrogen 3.185 N/A CYS 205.A N GLY 201.A O no hydrogen 2.936 N/A GLY 206.A N CYS 237.A O no hydrogen 2.921 N/A HIS 207.A NE2 ASP 210.A OD2 no hydrogen 2.752 N/A GLY 208.A N TYR 238.A O no hydrogen 3.100 N/A ARG 212.A N ASP 210.A OD1 no hydrogen 2.932 N/A ARG 212.A NE ASP 210.A OD1 no hydrogen 3.042 N/A ARG 212.A NH2 ASP 210.A OD2 no hydrogen 2.949 N/A ALA 214.A N ASP 210.A O no hydrogen 2.877 N/A ASN 215.A N ASP 211.A O no hydrogen 3.084 N/A ARG 216.A N ARG 212.A O no hydrogen 3.313 N/A ARG 216.A NE GLU 204.A OE1 no hydrogen 2.874 N/A ARG 216.A NH1 GLN 64.A OE1 no hydrogen 2.896 N/A ARG 216.A NH1 GLU 68.A OE2 no hydrogen 2.852 N/A ARG 216.A NH2 GLU 68.A OE2 no hydrogen 2.785 N/A ARG 216.A NH2 GLU 204.A OE1 no hydrogen 3.471 N/A ARG 216.A NH2 GLU 204.A OE2 no hydrogen 2.972 N/A ILE 217.A N VAL 213.A O no hydrogen 2.987 N/A GLY 218.A N ALA 214.A O no hydrogen 2.821 N/A PHE 219.A N ASN 215.A O no hydrogen 3.215 N/A TYR 220.A N ARG 216.A O no hydrogen 3.170 N/A TYR 220.A OH THR 231.A O no hydrogen 2.610 N/A GLN 221.A N ILE 217.A O no hydrogen 3.019 N/A ARG 222.A N GLY 218.A O no hydrogen 3.256 N/A ARG 222.A NH1 LEU 15.A O no hydrogen 2.836 N/A ARG 222.A NH1 PHE 81.A O no hydrogen 3.066 N/A ARG 222.A NH2 ARG 14.A O no hydrogen 3.069 N/A TYR 223.A N PHE 219.A O no hydrogen 2.952 N/A TYR 223.A OH SER 66.A OG no hydrogen 2.650 N/A CYS 224.A N TYR 220.A O no hydrogen 2.891 N/A CYS 224.A SG TYR 220.A O no hydrogen 3.207 N/A GLY 225.A N GLN 221.A O no hydrogen 2.921 N/A ALA 226.A N ARG 222.A O no hydrogen 2.904 N/A PHE 227.A N TYR 223.A O no hydrogen 3.083 N/A GLY 228.A N GLY 225.A O no hydrogen 2.971 N/A ILE 229.A N CYS 224.A O no hydrogen 3.047 N/A THR 231.A OG1 GLY 232.A O no hydrogen 2.859 N/A TYR 238.A N ASP 236.A OD1 no hydrogen 2.838 N/A GLN 240.A N CYS 237.A O no hydrogen 3.193 N/A ARG 241.A N ALA 186.A O no hydrogen 2.888 N/A PHE 243.A N ASN 197.A OD1 no hydrogen 3.084 N/A