Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2piq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A N PRO 2.A O no hydrogen 3.345 N/A GLN 1.A N ASN 6.A OD1 no hydrogen 3.194 N/A GLN 1.A NE2 GLN 1.A O no hydrogen 3.506 N/A ASN 6.A N PRO 2.A O no hydrogen 3.451 N/A VAL 7.A N ILE 3.A O no hydrogen 3.368 N/A LEU 8.A N PHE 4.A O no hydrogen 3.404 N/A GLU 9.A N LEU 5.A O no hydrogen 3.215 N/A ALA 10.A N ASN 6.A O no hydrogen 3.066 N/A ILE 11.A N VAL 7.A O no hydrogen 2.822 N/A ALA 18.A N ASP 98.A OD1 no hydrogen 2.902 N/A HIS 20.A N ASP 98.A OD2 no hydrogen 2.979 N/A ASN 22.A ND2 ASP 98.A O no hydrogen 3.013 N/A ASN 23.A N ASP 21.A OD1 no hydrogen 3.034 N/A GLN 24.A N ASP 21.A O no hydrogen 3.056 N/A ALA 30.A N SER 27.A OG no hydrogen 3.074 N/A LEU 31.A N SER 27.A O no hydrogen 2.896 N/A LEU 32.A N PHE 28.A O no hydrogen 2.993 N/A SER 33.A N ALA 29.A O no hydrogen 3.029 N/A SER 33.A OG ALA 29.A O no hydrogen 2.662 N/A SER 33.A OG ASP 221.A OD2 no hydrogen 3.560 N/A SER 34.A N ALA 30.A O no hydrogen 3.023 N/A SER 34.A OG ALA 30.A O no hydrogen 3.274 N/A LEU 35.A N LEU 31.A O no hydrogen 3.027 N/A ASN 36.A N LEU 32.A O no hydrogen 3.004 N/A ASN 36.A ND2 ASP 221.A O no hydrogen 2.979 N/A GLU 37.A N SER 33.A O no hydrogen 3.096 N/A LEU 38.A N SER 34.A O no hydrogen 2.832 N/A GLY 39.A N LEU 35.A O no hydrogen 2.732 N/A GLU 40.A N ASN 36.A O no hydrogen 2.814 N/A ARG 41.A N GLU 37.A O no hydrogen 2.882 N/A ARG 41.A NE GLU 37.A OE2 no hydrogen 3.019 N/A ARG 41.A NH1 CYS 17.A O no hydrogen 2.770 N/A GLN 42.A N LEU 38.A O no hydrogen 2.656 N/A GLN 42.A NE2 GLN 42.A O no hydrogen 3.599 N/A LEU 43.A N GLY 39.A O no hydrogen 2.830 N/A LEU 43.A N GLU 40.A O no hydrogen 3.173 N/A VAL 44.A N ARG 41.A O no hydrogen 3.004 N/A HIS 45.A ND1 ARG 41.A O no hydrogen 3.246 N/A VAL 46.A N GLN 42.A O no hydrogen 3.056 N/A VAL 47.A N LEU 43.A O no hydrogen 3.233 N/A LYS 48.A N VAL 44.A O no hydrogen 3.363 N/A TRP 49.A N HIS 45.A O no hydrogen 2.741 N/A ALA 50.A N VAL 46.A O no hydrogen 2.813 N/A LYS 51.A N VAL 47.A O no hydrogen 3.080 N/A ALA 52.A N LYS 48.A O no hydrogen 3.225 N/A ALA 52.A N TRP 49.A O no hydrogen 3.167 N/A LEU 53.A N ALA 50.A O no hydrogen 2.902 N/A PHE 56.A N LEU 53.A O no hydrogen 2.972 N/A ARG 57.A NH1 LYS 51.A O no hydrogen 3.102 N/A ASN 58.A N GLY 55.A O no hydrogen 2.937 N/A LEU 59.A N PHE 56.A O no hydrogen 3.302 N/A ASP 62.A N HIS 60.A ND1 no hydrogen 2.823 N/A GLN 64.A N HIS 60.A O no hydrogen 2.954 N/A GLN 64.A NE2 LEU 59.A O no hydrogen 2.785 N/A MET 65.A N VAL 61.A O no hydrogen 3.414 N/A ALA 66.A N ASP 62.A O no hydrogen 2.980 N/A VAL 67.A N ASP 63.A O no hydrogen 2.965 N/A GLN 69.A N MET 65.A O no hydrogen 3.011 N/A TYR 70.A N ALA 66.A O no hydrogen 3.092 N/A SER 71.A N VAL 67.A O no hydrogen 3.108 N/A SER 71.A OG VAL 67.A O no hydrogen 2.751 N/A SER 71.A OG LEU 143.A O no hydrogen 3.463 N/A LEU 75.A N SER 71.A O no hydrogen 3.055 N/A MET 76.A N TRP 72.A O no hydrogen 3.233 N/A VAL 77.A N MET 73.A O no hydrogen 3.144 N/A PHE 78.A N GLY 74.A O no hydrogen 3.041 N/A ALA 79.A N LEU 75.A O no hydrogen 2.967 N/A MET 80.A N MET 76.A O no hydrogen 2.901 N/A GLY 81.A N VAL 77.A O no hydrogen 2.967 N/A TRP 82.A N PHE 78.A O no hydrogen 3.265 N/A ARG 83.A N ALA 79.A O no hydrogen 3.030 N/A ARG 83.A NE TYR 94.A O no hydrogen 3.339 N/A ARG 83.A NH2 PHE 95.A O no hydrogen 2.909 N/A SER 84.A N MET 80.A O no hydrogen 2.847 N/A SER 84.A OG MET 80.A O no hydrogen 2.850 N/A PHE 85.A N GLY 81.A O no hydrogen 2.954 N/A THR 86.A N TRP 82.A O no hydrogen 2.748 N/A THR 86.A OG1 TRP 82.A O no hydrogen 3.155 N/A THR 86.A OG1 ARG 83.A O no hydrogen 3.484 N/A THR 86.A OG1 ASN 87.A OD1 no hydrogen 3.474 N/A VAL 88.A N SER 84.A O no hydrogen 3.032 N/A SER 90.A N SER 84.A O no hydrogen 2.807 N/A SER 90.A OG SER 122.A O no hydrogen 3.099 N/A SER 90.A OG SER 122.A OG no hydrogen 3.294 N/A ARG 91.A N VAL 88.A O no hydrogen 2.788 N/A LEU 93.A N PHE 101.A O no hydrogen 3.112 N/A TYR 94.A N SER 84.A OG no hydrogen 2.844 N/A ALA 96.A N LEU 99.A O no hydrogen 3.376 N/A LEU 99.A N ALA 96.A O no hydrogen 2.862 N/A PHE 101.A N LEU 93.A O no hydrogen 2.861 N/A ARG 105.A N ASN 102.A OD1 no hydrogen 2.663 N/A ARG 105.A NE ASP 26.A OD1 no hydrogen 3.012 N/A ARG 105.A NE ASP 26.A OD2 no hydrogen 3.194 N/A ARG 105.A NH1 VAL 100.A O no hydrogen 2.771 N/A ARG 105.A NH2 ASN 22.A OD1 no hydrogen 2.698 N/A ARG 105.A NH2 ASP 26.A OD1 no hydrogen 3.103 N/A MET 106.A N ASN 102.A O no hydrogen 2.925 N/A HIS 107.A N TYR 104.A O no hydrogen 2.915 N/A LYS 108.A N TYR 104.A O no hydrogen 2.974 N/A SER 109.A N ARG 105.A O no hydrogen 2.867 N/A SER 109.A OG ARG 105.A O no hydrogen 3.336 N/A SER 109.A OG MET 106.A O no hydrogen 2.641 N/A ARG 110.A N HIS 107.A O no hydrogen 2.789 N/A TYR 112.A OH GLU 103.A OE1 no hydrogen 2.698 N/A SER 113.A OG GLN 114.A OE1 no hydrogen 3.172 N/A GLN 114.A N GLN 114.A OE1 no hydrogen 2.768 N/A CYS 115.A N MET 111.A O no hydrogen 3.044 N/A CYS 115.A SG MET 111.A O no hydrogen 3.436 N/A VAL 116.A N TYR 112.A O no hydrogen 2.869 N/A ARG 117.A N SER 113.A O no hydrogen 3.172 N/A MET 118.A N GLN 114.A O no hydrogen 3.155 N/A ARG 119.A N CYS 115.A O no hydrogen 2.826 N/A HIS 120.A N VAL 116.A O no hydrogen 2.765 N/A LEU 121.A N ARG 117.A O no hydrogen 2.770 N/A SER 122.A N MET 118.A O no hydrogen 2.765 N/A SER 122.A OG GLY 81.A O no hydrogen 2.720 N/A SER 122.A OG SER 90.A OG no hydrogen 3.294 N/A GLN 123.A N ARG 119.A O no hydrogen 2.841 N/A GLN 123.A N HIS 120.A O no hydrogen 2.934 N/A GLU 124.A N HIS 120.A O no hydrogen 3.049 N/A GLU 124.A N LEU 121.A O no hydrogen 3.024 N/A GLY 126.A N GLN 123.A O no hydrogen 3.099 N/A TRP 127.A N GLN 123.A O no hydrogen 3.050 N/A LEU 128.A N GLU 124.A O no hydrogen 2.967 N/A GLN 129.A N GLY 126.A O no hydrogen 3.050 N/A ILE 130.A N PHE 125.A O no hydrogen 2.977 N/A THR 131.A N GLU 134.A OE1 no hydrogen 3.047 N/A THR 131.A OG1 GLN 133.A OE1 no hydrogen 3.005 N/A GLU 134.A N THR 131.A OG1 no hydrogen 3.185 N/A PHE 135.A N THR 131.A O no hydrogen 2.817 N/A LEU 136.A N PRO 132.A O no hydrogen 2.948 N/A CYS 137.A N GLN 133.A O no hydrogen 3.123 N/A CYS 137.A SG TYR 165.A O no hydrogen 3.836 N/A MET 138.A N GLU 134.A O no hydrogen 2.866 N/A LYS 139.A N PHE 135.A O no hydrogen 2.862 N/A LYS 139.A NZ GLU 12.A OE2 no hydrogen 3.002 N/A ALA 140.A N LEU 136.A O no hydrogen 3.234 N/A LEU 141.A N CYS 137.A O no hydrogen 3.218 N/A LEU 142.A N LYS 139.A O no hydrogen 3.135 N/A LEU 143.A N ALA 140.A O no hydrogen 3.149 N/A PHE 144.A N LEU 141.A O no hydrogen 3.273 N/A SER 145.A N LEU 142.A O no hydrogen 3.192 N/A SER 145.A OG LEU 141.A O no hydrogen 2.751 N/A VAL 149.A N LYS 241.A O no hydrogen 2.813 N/A GLY 151.A N PRO 148.A O no hydrogen 2.794 N/A LEU 152.A N GLN 155.A OE1 no hydrogen 3.046 N/A LYS 153.A N ASP 63.A OD1 no hydrogen 2.741 N/A ASN 154.A N ASP 63.A OD2 no hydrogen 2.903 N/A GLN 155.A NE2 GLN 155.A O no hydrogen 3.449 N/A GLN 155.A NE2 ASP 159.A OD1 no hydrogen 2.767 N/A PHE 157.A N ASN 154.A OD1 no hydrogen 3.438 N/A ASP 159.A N GLN 155.A O no hydrogen 3.005 N/A GLU 160.A N LYS 156.A O no hydrogen 3.257 N/A LEU 161.A N PHE 157.A O no hydrogen 3.039 N/A ARG 162.A N PHE 158.A O no hydrogen 2.691 N/A ARG 162.A NH1 PHE 144.A O no hydrogen 3.014 N/A MET 163.A N ASP 159.A O no hydrogen 2.847 N/A ASN 164.A N GLU 160.A O no hydrogen 3.038 N/A TYR 165.A N LEU 161.A O no hydrogen 3.285 N/A TYR 165.A OH PRO 54.A O no hydrogen 2.796 N/A ILE 166.A N ARG 162.A O no hydrogen 3.240 N/A LYS 167.A N MET 163.A O no hydrogen 2.974 N/A GLU 168.A N ASN 164.A O no hydrogen 3.030 N/A LEU 169.A N TYR 165.A O no hydrogen 3.148 N/A ASP 170.A N ILE 166.A O no hydrogen 3.282 N/A ASP 170.A N LYS 167.A O no hydrogen 2.965 N/A ARG 171.A N LYS 167.A O no hydrogen 3.068 N/A ARG 171.A NE GLU 168.A OE1 no hydrogen 3.358 N/A ARG 171.A NH2 GLU 168.A OE1 no hydrogen 2.754 N/A ILE 172.A N GLU 168.A O no hydrogen 2.989 N/A ILE 173.A N LEU 169.A O no hydrogen 3.078 N/A ALA 174.A N ASP 170.A O no hydrogen 2.554 N/A CYS 175.A N ARG 171.A O no hydrogen 2.745 N/A ARG 177.A NE ILE 173.A O no hydrogen 2.998 N/A ASN 179.A ND2 SER 182.A OG no hydrogen 2.901 N/A SER 182.A OG ASN 179.A O no hydrogen 3.427 N/A ARG 185.A N THR 181.A O no hydrogen 3.099 N/A ARG 186.A N SER 182.A O no hydrogen 2.811 N/A ARG 186.A NE GLU 134.A OE2 no hydrogen 2.994 N/A ARG 186.A NH1 LEU 128.A O no hydrogen 2.609 N/A ARG 186.A NH1 GLN 189.A OE1 no hydrogen 3.415 N/A ARG 186.A NH2 LEU 128.A O no hydrogen 3.039 N/A ARG 186.A NH2 GLN 129.A O no hydrogen 2.858 N/A ARG 186.A NH2 GLU 134.A OE1 no hydrogen 2.749 N/A PHE 187.A N CYS 183.A O no hydrogen 2.980 N/A TYR 188.A N SER 184.A O no hydrogen 2.860 N/A GLN 189.A N ARG 185.A O no hydrogen 2.942 N/A LEU 190.A N ARG 186.A O no hydrogen 2.896 N/A THR 191.A N PHE 187.A O no hydrogen 2.893 N/A THR 191.A OG1 PHE 187.A O no hydrogen 2.647 N/A THR 191.A OG1 TYR 188.A O no hydrogen 2.945 N/A THR 191.A OG1 HIS 248.A NE2 no hydrogen 2.741 N/A LYS 192.A N TYR 188.A O no hydrogen 3.090 N/A LEU 193.A N GLN 189.A O no hydrogen 3.037 N/A LEU 194.A N LEU 190.A O no hydrogen 2.860 N/A ASP 195.A N THR 191.A O no hydrogen 3.283 N/A SER 196.A N LYS 192.A O no hydrogen 3.219 N/A SER 196.A OG LEU 193.A O no hydrogen 2.632 N/A VAL 197.A N LEU 194.A O no hydrogen 3.383 N/A GLN 198.A N ASP 195.A O no hydrogen 3.107 N/A ALA 201.A N VAL 197.A O no hydrogen 2.953 N/A ARG 202.A N GLN 198.A O no hydrogen 2.884 N/A GLU 203.A N PRO 199.A O no hydrogen 3.319 N/A LEU 204.A N ILE 200.A O no hydrogen 3.182 N/A HIS 205.A N ALA 201.A O no hydrogen 2.832 N/A GLN 206.A N ARG 202.A O no hydrogen 3.091 N/A GLN 206.A NE2 GLN 206.A O no hydrogen 3.353 N/A GLN 206.A NE2 ASP 210.A OD1 no hydrogen 3.188 N/A PHE 207.A N GLU 203.A O no hydrogen 2.964 N/A THR 208.A N LEU 204.A O no hydrogen 2.861 N/A PHE 209.A N HIS 205.A O no hydrogen 2.928 N/A ASP 210.A N GLN 206.A O no hydrogen 3.076 N/A LEU 211.A N PHE 207.A O no hydrogen 3.087 N/A LEU 212.A N THR 208.A O no hydrogen 2.955 N/A ILE 213.A N PHE 209.A O no hydrogen 3.082 N/A LYS 214.A N ASP 210.A O no hydrogen 3.057 N/A SER 215.A N LEU 212.A O no hydrogen 3.163 N/A SER 215.A OG LEU 212.A O no hydrogen 2.798 N/A VAL 220.A N SER 215.A O no hydrogen 2.866 N/A ASP 221.A N SER 33.A OG no hydrogen 3.203 N/A MET 225.A N GLU 40.A OE2 no hydrogen 3.389 N/A MET 226.A N GLU 40.A OE1 no hydrogen 2.966 N/A ALA 227.A N PRO 223.A O no hydrogen 2.875 N/A GLU 228.A N GLU 224.A O no hydrogen 3.237 N/A ILE 229.A N MET 225.A O no hydrogen 3.101 N/A ILE 230.A N MET 226.A O no hydrogen 2.992 N/A SER 231.A N GLU 228.A O no hydrogen 3.286 N/A SER 231.A OG ALA 227.A O no hydrogen 2.622 N/A SER 231.A OG GLU 228.A O no hydrogen 3.309 N/A GLN 233.A N ILE 229.A O no hydrogen 2.874 N/A VAL 234.A N ILE 229.A O no hydrogen 2.975 N/A LYS 236.A N GLN 233.A O no hydrogen 2.885 N/A LYS 236.A NZ TYR 70.A OH no hydrogen 3.484 N/A ILE 237.A N VAL 234.A O no hydrogen 2.783 N/A LEU 238.A N VAL 234.A O no hydrogen 3.180 N/A SER 239.A OG PRO 235.A O no hydrogen 3.114 N/A SER 239.A OG LYS 236.A O no hydrogen 3.048 N/A GLY 240.A N ILE 237.A O no hydrogen 3.237 N/A VAL 242.A N LYS 236.A O no hydrogen 2.932 N/A LYS 243.A N ILE 147.A O no hydrogen 3.229 N/A ILE 245.A N SER 145.A O no hydrogen 2.651 N/A PHE 247.A N ASP 195.A OD1 no hydrogen 2.993 N/A HIS 248.A N ASP 195.A OD2 no hydrogen 3.396 N/A HIS 248.A NE2 THR 191.A OG1 no hydrogen 2.741 N/A