Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3o1h_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N SER 1.A O no hydrogen 3.240 N/A ALA 6.A N ALA 2.A O no hydrogen 3.026 N/A ARG 7.A N MET 3.A O no hydrogen 3.367 N/A GLN 8.A NE2 GLN 8.A O no hydrogen 3.092 N/A VAL 9.A N GLU 5.A O no hydrogen 2.691 N/A SER 10.A N ALA 6.A O no hydrogen 2.890 N/A GLU 11.A N ARG 7.A O no hydrogen 2.814 N/A LEU 12.A N GLN 8.A O no hydrogen 3.119 N/A SER 13.A N VAL 9.A O no hydrogen 2.701 N/A SER 13.A OG VAL 9.A O no hydrogen 2.956 N/A SER 13.A OG ASN 258.A OD1 no hydrogen 3.239 N/A ARG 15.A N GLU 11.A O no hydrogen 3.446 N/A ILE 16.A N LEU 12.A O no hydrogen 3.032 N/A ILE 16.A N SER 13.A O no hydrogen 3.149 N/A ILE 17.A N SER 13.A O no hydrogen 3.152 N/A SER 18.A N THR 14.A O no hydrogen 3.169 N/A SER 19.A N ILE 16.A O no hydrogen 2.655 N/A SER 19.A OG ARG 15.A O no hydrogen 2.647 N/A VAL 20.A N ILE 16.A O no hydrogen 2.917 N/A VAL 20.A N ILE 17.A O no hydrogen 2.845 N/A GLN 21.A N ILE 17.A O no hydrogen 2.959 N/A LEU 23.A N SER 19.A O no hydrogen 2.966 N/A SER 24.A N VAL 20.A O no hydrogen 2.682 N/A ASN 25.A N GLN 21.A O no hydrogen 2.986 N/A ALA 26.A N SER 24.A O no hydrogen 2.708 N/A ASN 28.A N GLU 31.A OE2 no hydrogen 3.429 N/A GLN 30.A N ASN 28.A OD1 no hydrogen 2.849 N/A GLN 30.A NE2 GLU 29.A O no hydrogen 3.459 N/A GLU 31.A N ASN 28.A OD1 no hydrogen 2.709 N/A ARG 32.A NH2 GLU 29.A OE1 no hydrogen 2.865 N/A GLU 34.A N GLN 30.A O no hydrogen 2.880 N/A ALA 35.A N GLU 31.A O no hydrogen 3.168 N/A GLY 36.A N ARG 32.A O no hydrogen 3.303 N/A ARG 37.A N LYS 33.A O no hydrogen 3.183 N/A VAL 38.A N GLU 34.A O no hydrogen 2.996 N/A PHE 40.A N GLY 36.A O no hydrogen 2.726 N/A GLU 41.A N ARG 37.A O no hydrogen 3.296 N/A GLN 42.A N VAL 38.A O no hydrogen 2.982 N/A GLN 42.A NE2 SER 19.A OG no hydrogen 2.508 N/A GLN 42.A NE2 VAL 38.A O no hydrogen 3.096 N/A LEU 43.A N LEU 39.A O no hydrogen 3.138 N/A LEU 43.A N PHE 40.A O no hydrogen 2.724 N/A GLU 44.A N PHE 40.A O no hydrogen 2.941 N/A SER 45.A N GLU 41.A O no hydrogen 3.231 N/A SER 45.A OG GLU 41.A O no hydrogen 3.401 N/A LEU 46.A N GLN 42.A O no hydrogen 3.220 N/A LEU 47.A N LEU 43.A O no hydrogen 2.989 N/A THR 48.A N GLU 44.A O no hydrogen 3.328 N/A THR 48.A OG1 SER 45.A O no hydrogen 3.105 N/A HIS 49.A N SER 45.A O no hydrogen 3.115 N/A ILE 50.A N LEU 46.A O no hydrogen 2.998 N/A LYS 51.A N LEU 47.A O no hydrogen 2.706 N/A LYS 51.A N THR 48.A O no hydrogen 3.115 N/A GLU 52.A N THR 48.A O no hydrogen 3.049 N/A LEU 53.A N HIS 49.A O no hydrogen 3.024 N/A GLY 54.A N LYS 51.A O no hydrogen 2.619 N/A GLY 55.A N GLU 52.A O no hydrogen 2.743 N/A ASP 59.A N SER 57.A OG no hydrogen 3.414 N/A LEU 62.A N ASP 59.A OD2 no hydrogen 3.043 N/A LEU 63.A N ASP 59.A O no hydrogen 2.805 N/A ASP 64.A N SER 60.A O no hydrogen 3.207 N/A ALA 65.A N LYS 61.A O no hydrogen 3.282 N/A LEU 66.A N LEU 62.A O no hydrogen 2.834 N/A GLU 67.A N LEU 63.A O no hydrogen 3.151 N/A SER 68.A N ASP 64.A O no hydrogen 2.946 N/A ASN 69.A N ALA 65.A O no hydrogen 3.185 N/A VAL 70.A N LEU 66.A O no hydrogen 2.988 N/A GLN 71.A N GLU 67.A O no hydrogen 3.331 N/A ASN 72.A N SER 68.A O no hydrogen 3.102 N/A VAL 73.A N ASN 69.A O no hydrogen 3.233 N/A ILE 74.A N VAL 70.A O no hydrogen 2.967 N/A ASN 75.A N GLN 71.A O no hydrogen 2.704 N/A ASN 76.A N ASN 72.A O no hydrogen 2.988 N/A ASN 76.A ND2 LEU 246.A O no hydrogen 3.280 N/A LEU 77.A N VAL 73.A O no hydrogen 3.290 N/A ALA 78.A N ILE 74.A O no hydrogen 2.983 N/A GLU 79.A N ASN 75.A O no hydrogen 2.714 N/A LEU 80.A N ASN 76.A O no hydrogen 2.804 N/A GLY 81.A N LEU 77.A O no hydrogen 2.866 N/A VAL 82.A N ALA 78.A O no hydrogen 3.025 N/A THR 83.A N GLU 79.A O no hydrogen 3.056 N/A THR 83.A OG1 GLU 79.A O no hydrogen 2.983 N/A VAL 84.A N LEU 80.A O no hydrogen 3.081 N/A ARG 86.A N VAL 82.A O no hydrogen 2.725 N/A LYS 87.A N THR 83.A O no hydrogen 2.749 N/A LYS 87.A NZ SER 24.A O no hydrogen 3.089 N/A LYS 87.A NZ ALA 26.A O no hydrogen 2.934 N/A LEU 88.A N VAL 84.A O no hydrogen 3.520 N/A LEU 90.A N ARG 86.A O no hydrogen 2.998 N/A ALA 91.A N LYS 87.A O no hydrogen 2.997 N/A LYS 92.A N LEU 88.A O no hydrogen 3.221 N/A GLU 93.A N TRP 89.A O no hydrogen 2.762 N/A ILE 94.A N LEU 90.A O no hydrogen 2.751 N/A ASP 95.A N ALA 91.A O no hydrogen 3.009 N/A THR 96.A N LYS 92.A O no hydrogen 3.183 N/A THR 96.A OG1 LYS 92.A O no hydrogen 2.860 N/A ARG 97.A N GLU 93.A O no hydrogen 2.741 N/A ARG 97.A NH2 GLU 93.A OE2 no hydrogen 2.473 N/A VAL 98.A N ILE 94.A O no hydrogen 2.777 N/A GLU 99.A N ASP 95.A O no hydrogen 3.421 N/A GLU 100.A N THR 96.A O no hydrogen 3.151 N/A MET 101.A N ARG 97.A O no hydrogen 3.229 N/A ARG 102.A N VAL 98.A O no hydrogen 2.810 N/A LEU 103.A N GLU 99.A O no hydrogen 3.082 N/A LEU 104.A N GLU 100.A O no hydrogen 3.399 N/A SER 105.A N MET 101.A O no hydrogen 2.847 N/A GLU 106.A N ARG 102.A O no hydrogen 2.679 N/A GLU 107.A N LEU 103.A O no hydrogen 3.123 N/A LEU 108.A N LEU 104.A O no hydrogen 2.889 N/A GLU 109.A N SER 105.A O no hydrogen 2.927 N/A GLN 110.A N GLU 106.A O no hydrogen 3.056 N/A LEU 111.A N GLU 107.A O no hydrogen 2.746 N/A THR 112.A N LEU 108.A O no hydrogen 2.920 N/A THR 112.A OG1 LEU 108.A O no hydrogen 3.061 N/A THR 112.A OG1 GLU 109.A O no hydrogen 2.904 N/A ARG 113.A N GLU 109.A O no hydrogen 2.934 N/A THR 114.A N GLN 110.A O no hydrogen 2.794 N/A THR 114.A OG1 GLN 110.A O no hydrogen 2.740 N/A GLN 115.A N LEU 111.A O no hydrogen 3.349 N/A GLN 115.A NE2 LEU 111.A O no hydrogen 3.116 N/A VAL 116.A N THR 112.A O no hydrogen 3.081 N/A GLN 117.A N ARG 113.A O no hydrogen 2.914 N/A ASN 118.A N THR 114.A O no hydrogen 3.098 N/A THR 119.A N GLN 115.A O no hydrogen 3.040 N/A THR 119.A OG1 GLN 115.A O no hydrogen 2.922 N/A SER 120.A N VAL 116.A O no hydrogen 3.330 N/A SER 120.A N GLN 117.A O no hydrogen 3.154 N/A THR 121.A N GLN 117.A O no hydrogen 3.369 N/A THR 121.A OG1 GLN 117.A O no hydrogen 3.363 N/A ILE 122.A N ASN 118.A O no hydrogen 2.924 N/A ALA 123.A N THR 119.A O no hydrogen 2.903 N/A VAL 124.A N SER 120.A O no hydrogen 2.904 N/A ALA 125.A N THR 121.A O no hydrogen 2.777 N/A ASN 126.A N ILE 122.A O no hydrogen 2.555 N/A ASN 126.A ND2 ASP 153.A OD2 no hydrogen 3.192 N/A VAL 127.A N ALA 123.A O no hydrogen 2.763 N/A THR 128.A N VAL 124.A O no hydrogen 2.888 N/A THR 128.A OG1 VAL 124.A O no hydrogen 2.629 N/A HIS 129.A N ALA 125.A O no hydrogen 3.060 N/A TYR 131.A N VAL 127.A O no hydrogen 3.393 N/A TYR 131.A N THR 128.A O no hydrogen 2.997 N/A ASP 132.A N HIS 129.A O no hydrogen 2.947 N/A LEU 133.A N HIS 129.A O no hydrogen 3.143 N/A LEU 134.A N ILE 130.A O no hydrogen 2.733 N/A GLU 135.A N TYR 131.A O no hydrogen 2.984 N/A ALA 136.A N ASP 132.A O no hydrogen 3.080 N/A ASN 137.A N LEU 134.A O no hydrogen 3.032 N/A LYS 138.A N LEU 133.A O no hydrogen 3.155 N/A VAL 142.A N LYS 138.A O no hydrogen 3.290 N/A TYR 143.A N LYS 139.A O no hydrogen 3.349 N/A GLN 144.A N ASP 140.A O no hydrogen 2.957 N/A ALA 145.A N GLN 141.A O no hydrogen 2.868 N/A LEU 146.A N VAL 142.A O no hydrogen 2.846 N/A ASP 147.A N TYR 143.A O no hydrogen 2.953 N/A ALA 148.A N GLN 144.A O no hydrogen 3.081 N/A LEU 149.A N ALA 145.A O no hydrogen 2.904 N/A VAL 150.A N LEU 146.A O no hydrogen 3.286 N/A VAL 150.A N ASP 147.A O no hydrogen 3.035 N/A GLU 151.A N ASP 147.A O no hydrogen 2.767 N/A VAL 152.A N ALA 148.A O no hydrogen 2.777 N/A ASP 153.A N ALA 148.A O no hydrogen 3.236 N/A LEU 154.A N LEU 149.A O no hydrogen 2.877 N/A LEU 156.A N VAL 152.A O no hydrogen 2.951 N/A THR 157.A N ASP 153.A O no hydrogen 2.779 N/A ARG 159.A N ASP 155.A O no hydrogen 3.243 N/A LEU 160.A N LEU 156.A O no hydrogen 2.807 N/A HIS 161.A N THR 157.A O no hydrogen 3.221 N/A GLU 162.A N GLU 158.A O no hydrogen 2.932 N/A LEU 163.A N ARG 159.A O no hydrogen 2.996 N/A HIS 164.A N LEU 160.A O no hydrogen 2.873 N/A HIS 164.A NE2 GLU 109.A OE2 no hydrogen 2.791 N/A LEU 165.A N HIS 161.A O no hydrogen 2.864 N/A LEU 165.A N GLU 162.A O no hydrogen 3.151 N/A LEU 166.A N GLU 162.A O no hydrogen 3.253 N/A ALA 167.A N LEU 163.A O no hydrogen 3.131 N/A PHE 168.A N HIS 164.A O no hydrogen 3.072 N/A LYS 169.A N LEU 165.A O no hydrogen 2.930 N/A MET 170.A N LEU 166.A O no hydrogen 2.709 N/A LEU 171.A N ALA 167.A O no hydrogen 3.142 N/A LEU 171.A N PHE 168.A O no hydrogen 3.258 N/A ASN 172.A N PHE 168.A O no hydrogen 3.089 N/A GLN 173.A N LYS 169.A O no hydrogen 3.010 N/A ILE 174.A N MET 170.A O no hydrogen 3.422 N/A GLU 175.A N LEU 171.A O no hydrogen 3.010 N/A GLU 176.A N ASN 172.A O no hydrogen 3.244 N/A GLU 176.A N GLN 173.A O no hydrogen 2.972 N/A ALA 177.A N GLN 173.A O no hydrogen 2.924 N/A ARG 178.A NE ASP 95.A OD1 no hydrogen 3.472 N/A ARG 178.A NH2 ASP 95.A OD1 no hydrogen 3.117 N/A ARG 178.A NH2 ASP 95.A OD2 no hydrogen 3.397 N/A THR 179.A N GLU 176.A O no hydrogen 3.347 N/A LEU 180.A N ALA 177.A O no hydrogen 3.196 N/A ARG 185.A N ASN 182.A OD1 no hydrogen 2.995 N/A ARG 185.A NE GLU 176.A OE2 no hydrogen 2.932 N/A ARG 185.A NH2 GLU 176.A OE2 no hydrogen 3.039 N/A ILE 186.A N ASN 182.A O no hydrogen 3.127 N/A GLN 187.A N VAL 183.A O no hydrogen 2.947 N/A GLN 188.A N ASP 184.A O no hydrogen 2.970 N/A ILE 189.A N ARG 185.A O no hydrogen 2.801 N/A GLN 190.A N ILE 186.A O no hydrogen 3.067 N/A THR 191.A N GLN 187.A O no hydrogen 3.272 N/A THR 191.A OG1 GLN 187.A O no hydrogen 3.369 N/A THR 191.A OG1 GLN 188.A O no hydrogen 3.192 N/A ALA 192.A N GLN 188.A O no hydrogen 2.903 N/A PHE 193.A N ILE 189.A O no hydrogen 2.665 N/A GLU 194.A N GLN 190.A O no hydrogen 2.960 N/A ASN 195.A N THR 191.A O no hydrogen 2.875 N/A ASN 196.A N ALA 192.A O no hydrogen 2.840 N/A LEU 197.A N PHE 193.A O no hydrogen 2.976 N/A LYS 198.A N GLU 194.A O no hydrogen 3.314 N/A ILE 199.A N ASN 195.A O no hydrogen 3.210 N/A MET 200.A N ASN 196.A O no hydrogen 2.853 N/A LYS 201.A N LEU 197.A O no hydrogen 2.895 N/A ARG 202.A N LYS 198.A O no hydrogen 3.242 N/A ARG 202.A N ILE 199.A O no hydrogen 2.970 N/A ARG 203.A N ILE 199.A O no hydrogen 2.757 N/A VAL 204.A N MET 200.A O no hydrogen 3.115 N/A VAL 207.A N VAL 204.A O no hydrogen 3.017 N/A SER 213.A N ASP 209.A O no hydrogen 2.856 N/A SER 213.A OG VAL 204.A O no hydrogen 3.131 N/A SER 213.A OG VAL 207.A O no hydrogen 2.831 N/A SER 213.A OG ASP 209.A O no hydrogen 3.455 N/A LYS 214.A N PRO 210.A O no hydrogen 3.286 N/A GLN 215.A N THR 211.A O no hydrogen 3.007 N/A MET 216.A N ARG 212.A O no hydrogen 2.965 N/A SER 217.A N SER 213.A O no hydrogen 2.756 N/A SER 217.A OG SER 213.A O no hydrogen 3.200 N/A GLN 218.A N LYS 214.A O no hydrogen 2.759 N/A LEU 219.A N GLN 215.A O no hydrogen 3.062 N/A LEU 220.A N MET 216.A O no hydrogen 2.739 N/A THR 221.A N SER 217.A O no hydrogen 2.921 N/A THR 221.A OG1 SER 217.A O no hydrogen 3.251 N/A THR 221.A OG1 GLN 218.A O no hydrogen 2.809 N/A GLU 222.A N GLN 218.A O no hydrogen 2.822 N/A LEU 223.A N LEU 219.A O no hydrogen 2.908 N/A GLY 224.A N LEU 220.A O no hydrogen 2.765 N/A LYS 225.A N THR 221.A O no hydrogen 3.130 N/A LYS 225.A N GLU 222.A O no hydrogen 3.169 N/A LYS 225.A NZ GLU 222.A OE2 no hydrogen 3.506 N/A ARG 226.A N GLU 222.A O no hydrogen 3.382 N/A ARG 226.A NE GLU 222.A OE1 no hydrogen 3.239 N/A ARG 226.A NH2 GLU 222.A OE1 no hydrogen 2.887 N/A GLN 227.A N GLY 224.A O no hydrogen 3.345 N/A VAL 229.A N ARG 226.A O no hydrogen 3.186 N/A PHE 230.A N GLN 227.A O no hydrogen 3.137 N/A ILE 232.A N VAL 228.A O no hydrogen 3.229 N/A LEU 233.A N PHE 230.A O no hydrogen 2.935 N/A LEU 234.A N PHE 230.A O no hydrogen 3.034 N/A LEU 234.A N THR 231.A O no hydrogen 2.798 N/A GLN 235.A N THR 231.A O no hydrogen 3.027 N/A GLN 236.A N ILE 232.A O no hydrogen 3.216 N/A GLU 238.A N LEU 234.A O no hydrogen 2.607 N/A ASN 239.A N GLN 235.A O no hydrogen 2.673 N/A ASN 239.A ND2 THR 83.A O no hydrogen 3.581 N/A ASN 240.A N GLN 236.A O no hydrogen 2.953 N/A GLU 241.A N TYR 237.A O no hydrogen 2.908 N/A GLN 242.A N GLU 238.A O no hydrogen 3.242 N/A SER 243.A N ASN 239.A O no hydrogen 2.900 N/A GLN 244.A N GLU 241.A O no hydrogen 3.005 N/A GLN 245.A N GLU 241.A O no hydrogen 3.088 N/A LEU 246.A N GLN 242.A O no hydrogen 2.891 N/A GLN 248.A N GLN 244.A O no hydrogen 3.211 N/A LYS 249.A N GLN 245.A O no hydrogen 2.907 N/A LYS 249.A NZ GLU 252.A OE2 no hydrogen 3.405 N/A THR 250.A N LEU 246.A O no hydrogen 2.811 N/A THR 250.A OG1 LEU 246.A O no hydrogen 3.319 N/A LEU 251.A N MET 247.A O no hydrogen 3.433 N/A LEU 253.A N LYS 249.A O no hydrogen 2.922 N/A PHE 254.A N THR 250.A O no hydrogen 2.944 N/A SER 255.A N LEU 251.A O no hydrogen 2.910 N/A GLU 256.A N GLU 252.A O no hydrogen 2.841 N/A LEU 257.A N LEU 253.A O no hydrogen 2.789 N/A ASN 258.A N PHE 254.A O no hydrogen 3.102 N/A SER 259.A N SER 255.A O no hydrogen 2.800 N/A THR 260.A N LEU 257.A O no hydrogen 3.057 N/A THR 260.A OG1 ASN 69.A OD1 no hydrogen 3.106 N/A THR 260.A OG1 GLU 256.A O no hydrogen 3.423 N/A VAL 261.A N LEU 257.A O no hydrogen 2.887 N/A ASN 262.A N ASN 258.A O no hydrogen 2.828 N/A VAL 265.A N VAL 261.A O no hydrogen 2.947 N/A SER 268.A OG VAL 265.A O no hydrogen 2.795 N/A SER 268.A OG ASP 266.A O no hydrogen 3.467 N/A ASN 269.A ND2 ASP 266.A OD1 no hydrogen 3.349 N/A