Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1rqr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N THR 30.A O no hydrogen 3.057 N/A ALA 5.A N VAL 61.A O no hydrogen 2.918 N/A PHE 6.A N VAL 32.A O no hydrogen 2.907 N/A SER 7.A N CYS 35.A O no hydrogen 3.209 N/A SER 7.A OG HIS 36.A ND1 no hydrogen 2.626 N/A LEU 9.A N SER 7.A OG no hydrogen 3.158 N/A GLY 10.A N HIS 36.A O no hydrogen 2.829 N/A SER 15.A N ASP 13.A OD1 no hydrogen 3.123 N/A SER 15.A OG ASP 13.A OD1 no hydrogen 2.698 N/A SER 15.A OG ASP 13.A OD2 no hydrogen 3.139 N/A GLN 18.A N ASP 14.A O no hydrogen 3.056 N/A GLN 18.A N SER 15.A O no hydrogen 3.162 N/A GLN 18.A NE2 ASP 14.A OD2 no hydrogen 2.598 N/A CYS 19.A N SER 15.A O no hydrogen 3.395 N/A CYS 19.A SG SER 15.A O no hydrogen 3.544 N/A LYS 20.A N VAL 16.A O no hydrogen 2.959 N/A LYS 20.A NZ ASP 33.A OD1 no hydrogen 3.302 N/A LYS 20.A NZ ASP 33.A OD2 no hydrogen 2.902 N/A GLY 21.A N ALA 17.A O no hydrogen 2.918 N/A LEU 22.A N GLN 18.A O no hydrogen 3.223 N/A SER 24.A N GLY 21.A O no hydrogen 3.119 N/A SER 24.A OG GLY 21.A O no hydrogen 2.901 N/A ILE 25.A N LEU 22.A O no hydrogen 3.071 N/A VAL 29.A N CYS 26.A O no hydrogen 3.048 N/A THR 30.A N PRO 2.A O no hydrogen 2.856 N/A VAL 32.A N ILE 4.A O no hydrogen 2.972 N/A VAL 34.A N PHE 6.A O no hydrogen 2.949 N/A HIS 36.A ND1 SER 7.A OG no hydrogen 2.626 N/A HIS 36.A NE2 ASP 33.A OD1 no hydrogen 2.939 N/A THR 38.A N GLU 44.A OE2 no hydrogen 3.259 N/A THR 38.A OG1 GLU 44.A OE1 no hydrogen 2.961 N/A TRP 40.A N THR 66.A OG1 no hydrogen 3.130 N/A ASP 41.A N THR 38.A O no hydrogen 3.277 N/A GLU 44.A N ASP 41.A O no hydrogen 3.177 N/A GLU 44.A N ASP 41.A OD1 no hydrogen 3.318 N/A GLY 45.A N ASP 41.A O no hydrogen 3.176 N/A ALA 46.A N VAL 42.A O no hydrogen 3.212 N/A ARG 47.A N GLU 43.A O no hydrogen 3.447 N/A TYR 48.A N GLY 45.A O no hydrogen 3.073 N/A TYR 48.A OH GLU 44.A OE2 no hydrogen 2.642 N/A ILE 49.A N ALA 46.A O no hydrogen 3.135 N/A VAL 50.A N ALA 46.A O no hydrogen 3.034 N/A PHE 55.A N LEU 52.A O no hydrogen 3.087 N/A PHE 56.A N PRO 53.A O no hydrogen 3.170 N/A GLY 59.A N SER 106.A O no hydrogen 2.898 N/A THR 60.A N PRO 57.A O no hydrogen 3.204 N/A THR 60.A OG1 PRO 57.A O no hydrogen 2.946 N/A VAL 61.A N ILE 3.A O no hydrogen 3.114 N/A PHE 62.A N ILE 108.A O no hydrogen 2.779 N/A ALA 63.A N ALA 5.A O no hydrogen 2.948 N/A THR 64.A N ILE 110.A O no hydrogen 3.165 N/A THR 65.A OG1 SER 148.A OG no hydrogen 2.493 N/A THR 66.A OG1 ASP 8.A OD2 no hydrogen 2.558 N/A TYR 67.A OH SER 76.A OG no hydrogen 2.765 N/A THR 70.A N TYR 67.A O no hydrogen 3.162 N/A THR 70.A OG1 PRO 144.A O no hydrogen 2.715 N/A THR 72.A N ALA 69.A O no hydrogen 3.165 N/A THR 72.A OG1 ALA 69.A O no hydrogen 2.541 N/A ARG 75.A NH1 THR 72.A O no hydrogen 3.442 N/A ARG 75.A NH1 THR 74.A O no hydrogen 2.650 N/A SER 76.A OG TYR 67.A OH no hydrogen 2.765 N/A VAL 77.A N ALA 111.A O no hydrogen 2.958 N/A ALA 78.A N TYR 130.A O no hydrogen 2.911 N/A VAL 79.A N TYR 109.A O no hydrogen 2.952 N/A ARG 80.A N GLU 128.A O no hydrogen 3.076 N/A ARG 80.A NE GLU 128.A OE2 no hydrogen 3.052 N/A ARG 80.A NH1 GLY 105.A O no hydrogen 3.465 N/A ILE 81.A N TYR 107.A O no hydrogen 3.144 N/A LYS 82.A N GLY 125.A O no hydrogen 3.368 N/A GLN 83.A N HIS 124.A O no hydrogen 2.880 N/A GLY 87.A N GLN 92.A O no hydrogen 3.214 N/A GLN 92.A N GLY 87.A O no hydrogen 3.027 N/A GLY 99.A N SER 96.A O no hydrogen 3.180 N/A PHE 100.A N ALA 94.A O no hydrogen 2.833 N/A ARG 102.A NE ARG 54.A O no hydrogen 3.089 N/A ARG 102.A NH2 ARG 54.A O no hydrogen 3.123 N/A ALA 103.A N GLU 58.A OE2 no hydrogen 2.948 N/A GLY 105.A N LYS 82.A O no hydrogen 2.959 N/A SER 106.A OG ALA 103.A O no hydrogen 2.632 N/A SER 106.A OG GLU 104.A O no hydrogen 3.203 N/A TYR 107.A OH PHE 56.A O no hydrogen 2.647 N/A ILE 108.A N THR 60.A O no hydrogen 3.423 N/A TYR 109.A N VAL 79.A O no hydrogen 3.076 N/A TYR 109.A OH ILE 49.A O no hydrogen 2.665 N/A ILE 110.A N PHE 62.A O no hydrogen 2.987 N/A ALA 111.A N VAL 77.A O no hydrogen 3.016 N/A ASN 113.A ND2 GLU 175.A O no hydrogen 3.053 N/A ASN 114.A ND2 THR 66.A O no hydrogen 2.622 N/A LEU 116.A N ASN 114.A OD1 no hydrogen 3.175 N/A THR 118.A N GLY 115.A O no hydrogen 2.967 N/A THR 118.A OG1 GLY 115.A O no hydrogen 2.675 N/A LEU 121.A N LEU 117.A O no hydrogen 2.989 N/A GLU 122.A N THR 118.A O no hydrogen 3.095 N/A GLU 123.A N THR 119.A O no hydrogen 2.899 N/A HIS 124.A N VAL 120.A O no hydrogen 2.863 N/A HIS 124.A ND1 GLN 83.A O no hydrogen 2.798 N/A HIS 124.A NE2 VAL 50.A O no hydrogen 2.687 N/A GLY 125.A N LEU 121.A O no hydrogen 2.847 N/A TYR 126.A OH ASP 173.A OD1 no hydrogen 2.625 N/A LEU 127.A N ARG 80.A O no hydrogen 2.882 N/A TYR 130.A N ALA 78.A O no hydrogen 2.971 N/A TYR 130.A OH GLU 128.A OE1 no hydrogen 2.486 N/A GLU 131.A N ARG 169.A O no hydrogen 3.093 N/A VAL 132.A N SER 76.A O no hydrogen 2.875 N/A THR 133.A N VAL 167.A O no hydrogen 3.054 N/A SER 134.A N VAL 167.A O no hydrogen 2.915 N/A LYS 136.A N SER 134.A OG no hydrogen 3.304 N/A VAL 137.A N SER 134.A O no hydrogen 2.957 N/A ILE 138.A N SER 134.A O no hydrogen 3.135 N/A GLU 143.A N GLU 150.A OE1 no hydrogen 2.963 N/A PHE 146.A N GLU 143.A O no hydrogen 3.202 N/A TYR 147.A N THR 70.A OG1 no hydrogen 2.969 N/A TYR 147.A OH THR 72.A O no hydrogen 3.021 N/A SER 148.A OG THR 65.A OG1 no hydrogen 2.493 N/A ARG 149.A N PHE 146.A O no hydrogen 2.924 N/A ARG 149.A NE GLU 150.A OE2 no hydrogen 3.245 N/A ARG 149.A NH2 GLU 150.A OE1 no hydrogen 3.509 N/A GLU 150.A N PHE 146.A O no hydrogen 3.094 N/A ALA 152.A N SER 148.A O no hydrogen 3.130 N/A ILE 153.A N ARG 149.A O no hydrogen 3.033 N/A SER 155.A N VAL 151.A O no hydrogen 2.868 N/A SER 155.A OG ALA 152.A O no hydrogen 2.571 N/A ALA 156.A N ALA 152.A O no hydrogen 3.276 N/A ALA 156.A N ILE 153.A O no hydrogen 3.002 N/A HIS 157.A N ILE 153.A O no hydrogen 3.304 N/A LEU 158.A N PRO 154.A O no hydrogen 2.964 N/A ALA 159.A N SER 155.A O no hydrogen 3.051 N/A ALA 160.A N ALA 156.A O no hydrogen 2.930 N/A GLY 161.A N HIS 157.A O no hydrogen 3.120 N/A GLY 161.A N LEU 158.A O no hydrogen 3.249 N/A PHE 162.A N HIS 157.A O no hydrogen 3.019 N/A GLU 166.A N PRO 163.A O no hydrogen 3.042 N/A VAL 167.A N LEU 164.A O no hydrogen 3.357 N/A ARG 169.A NH1 PRO 170.A O no hydrogen 3.239 N/A ARG 169.A NH1 GLU 175.A OE1 no hydrogen 3.200 N/A ARG 169.A NH1 GLU 175.A OE2 no hydrogen 3.336 N/A ARG 169.A NH2 GLU 175.A OE2 no hydrogen 3.175 N/A LEU 171.A N ALA 129.A O no hydrogen 3.035 N/A GLU 172.A N GLU 175.A OE1 no hydrogen 2.832 N/A GLU 175.A N GLU 172.A O no hydrogen 2.940 N/A ILE 176.A N ASP 173.A O no hydrogen 3.158 N/A VAL 177.A N ASN 113.A OD1 no hydrogen 3.003 N/A ARG 178.A NH1 ASP 173.A OD1 no hydrogen 3.510 N/A ARG 178.A NH1 ILE 176.A O no hydrogen 3.398 N/A ARG 178.A NH2 ASP 173.A OD1 no hydrogen 3.246 N/A PHE 179.A N THR 118.A OG1 no hydrogen 2.969 N/A GLU 185.A N VAL 192.A O no hydrogen 3.029 N/A GLN 186.A NE2 GLY 188.A O no hydrogen 3.420 N/A LEU 191.A N VAL 284.A O no hydrogen 2.984 N/A VAL 192.A N GLU 185.A O no hydrogen 2.947 N/A GLY 193.A N ALA 282.A O no hydrogen 2.731 N/A VAL 194.A N ASN 208.A OD1 no hydrogen 3.160 N/A SER 196.A N TRP 206.A O no hydrogen 2.864 N/A SER 196.A OG TRP 206.A O no hydrogen 3.416 N/A ALA 197.A N TRP 206.A O no hydrogen 3.481 N/A ASP 199.A N ASN 204.A O no hydrogen 2.728 N/A HIS 200.A ND1 TYR 273.A OH no hydrogen 2.490 N/A PHE 202.A N ASP 199.A O no hydrogen 3.156 N/A GLY 203.A N ASP 199.A O no hydrogen 3.074 N/A ASN 204.A ND2 ASP 199.A OD2 no hydrogen 3.162 N/A VAL 205.A N ILE 264.A O no hydrogen 2.898 N/A TRP 206.A N ALA 197.A O no hydrogen 2.921 N/A THR 207.A N LEU 262.A O no hydrogen 3.051 N/A THR 207.A OG1 LEU 262.A O no hydrogen 2.615 N/A ASN 208.A N VAL 194.A O no hydrogen 3.133 N/A ILE 209.A N THR 207.A OG1 no hydrogen 3.178 N/A HIS 210.A N ASP 213.A OD1 no hydrogen 3.141 N/A ARG 211.A N GLY 260.A O no hydrogen 2.921 N/A LEU 214.A N HIS 210.A O no hydrogen 3.122 N/A GLU 215.A N ARG 211.A O no hydrogen 2.755 N/A ILE 219.A N LEU 214.A O no hydrogen 3.075 N/A ALA 223.A N GLY 220.A O no hydrogen 3.415 N/A LEU 225.A N ALA 237.A O no hydrogen 3.041 N/A ARG 226.A N GLU 285.A O no hydrogen 3.038 N/A LEU 227.A N PHE 235.A O no hydrogen 2.874 N/A THR 228.A N ARG 283.A O no hydrogen 2.860 N/A LEU 229.A N LEU 233.A O no hydrogen 2.896 N/A ASP 230.A N SER 281.A O no hydrogen 3.290 N/A VAL 232.A N LEU 229.A O no hydrogen 3.348 N/A LEU 233.A N LEU 229.A O no hydrogen 3.308 N/A ALA 237.A N LEU 225.A O no hydrogen 3.167 N/A LEU 239.A N ALA 223.A O no hydrogen 3.008 N/A THR 240.A N ILE 254.A O no hydrogen 2.896 N/A THR 240.A OG1 THR 242.A O no hydrogen 3.069 N/A PHE 243.A N THR 242.A OG1 no hydrogen 2.799 N/A ALA 246.A N PHE 243.A O no hydrogen 3.303 N/A GLY 247.A N ALA 244.A O no hydrogen 3.410 N/A GLY 250.A N ASN 267.A O no hydrogen 2.928 N/A ASN 251.A N GLU 248.A O no hydrogen 3.284 N/A ASN 251.A ND2 ALA 246.A O no hydrogen 2.917 N/A ALA 253.A N ALA 265.A O no hydrogen 2.955 N/A TYR 255.A N SER 263.A O no hydrogen 3.033 N/A ASN 257.A N TYR 261.A O no hydrogen 2.836 N/A ARG 259.A N ASN 257.A OD1 no hydrogen 2.949 N/A ARG 259.A NH1 ASP 51.A OD2 no hydrogen 3.093 N/A GLY 260.A N ASN 257.A O no hydrogen 3.083 N/A TYR 261.A N ASN 257.A OD1 no hydrogen 2.879 N/A LEU 262.A N ILE 209.A O no hydrogen 2.866 N/A SER 263.A N TYR 255.A O no hydrogen 2.807 N/A SER 263.A OG TYR 261.A O no hydrogen 3.149 N/A ILE 264.A N VAL 205.A O no hydrogen 2.889 N/A ALA 265.A N ALA 253.A O no hydrogen 2.951 N/A ARG 266.A NH2 SER 270.A O no hydrogen 3.567 N/A ASN 267.A N ASN 251.A O no hydrogen 2.992 N/A ASN 267.A ND2 GLY 247.A O no hydrogen 3.255 N/A ASN 267.A ND2 GLU 248.A O no hydrogen 3.342 N/A ALA 272.A N GLY 203.A O no hydrogen 2.966 N/A TYR 273.A N SER 270.A OG no hydrogen 3.209 N/A TYR 273.A OH HIS 200.A ND1 no hydrogen 2.490 N/A LEU 277.A N ALA 272.A O no hydrogen 3.083 N/A GLY 280.A N VAL 195.A O no hydrogen 3.036 N/A ALA 282.A N GLY 193.A O no hydrogen 3.149 N/A ARG 283.A N THR 228.A O no hydrogen 3.286 N/A ARG 283.A NH1 ASP 187.A OD2 no hydrogen 3.133 N/A VAL 284.A N LEU 191.A O no hydrogen 3.024 N/A GLU 285.A N ARG 226.A O no hydrogen 3.086 N/A ALA 286.A N GLU 189.A OE1 no hydrogen 3.317 N/A