Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4yqh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A SG THR 4.A O no hydrogen 3.507 N/A CYS 3.A SG SER 66.A OG no hydrogen 3.244 N/A THR 4.A N GLU 7.A OE1 no hydrogen 3.435 N/A GLU 7.A N THR 4.A O no hydrogen 3.342 N/A GLN 9.A N SER 5.A O no hydrogen 3.370 N/A GLN 9.A NE2 SER 5.A O no hydrogen 3.618 N/A LEU 11.A N GLU 7.A O no hydrogen 3.264 N/A MET 12.A N TRP 8.A O no hydrogen 3.339 N/A GLN 13.A N GLY 10.A O no hydrogen 3.318 N/A PHE 14.A N LEU 11.A O no hydrogen 3.177 N/A THR 15.A OG1 GLN 13.A O no hydrogen 3.310 N/A LEU 20.A N PRO 17.A O no hydrogen 3.172 N/A CYS 21.A N PRO 17.A O no hydrogen 3.460 N/A CYS 21.A SG LEU 16.A O no hydrogen 4.043 N/A CYS 21.A SG PRO 17.A O no hydrogen 3.460 N/A GLU 23.A N LEU 20.A O no hydrogen 2.569 N/A ILE 24.A N LEU 20.A O no hydrogen 2.810 N/A LEU 26.A N GLU 23.A O no hydrogen 3.028 N/A GLY 32.A N ASP 30.A OD1 no hydrogen 2.998 N/A PHE 34.A N ILE 31.A O no hydrogen 3.269 N/A MET 37.A N PHE 34.A O no hydrogen 2.795 N/A TRP 38.A N GLU 35.A O no hydrogen 3.486 N/A TRP 38.A NE1 ILE 31.A O no hydrogen 2.506 N/A ILE 41.A N TRP 38.A O no hydrogen 3.119 N/A PHE 42.A N TRP 38.A O no hydrogen 3.243 N/A VAL 43.A N PRO 39.A O no hydrogen 3.460 N/A TYR 44.A N GLY 40.A O no hydrogen 3.217 N/A MET 45.A N ILE 41.A O no hydrogen 3.037 N/A VAL 46.A N PHE 42.A O no hydrogen 2.861 N/A HIS 47.A N VAL 43.A O no hydrogen 3.047 N/A ARG 48.A N TYR 44.A O no hydrogen 2.955 N/A SER 49.A N MET 45.A O no hydrogen 3.101 N/A CYS 50.A N VAL 46.A O no hydrogen 2.698 N/A GLY 51.A N HIS 47.A O no hydrogen 2.834 N/A CYS 54.A N GLY 51.A O no hydrogen 3.198 N/A CYS 54.A SG CYS 50.A O no hydrogen 3.183 N/A LYS 59.A N GLU 56.A O no hydrogen 2.949 N/A LYS 59.A NZ ASN 161.A O no hydrogen 3.520 N/A LYS 59.A NZ SER 164.A OG no hydrogen 3.361 N/A LEU 60.A N GLU 56.A O no hydrogen 3.358 N/A CYS 61.A N LEU 57.A O no hydrogen 3.161 N/A CYS 61.A SG LEU 57.A O no hydrogen 3.282 N/A ARG 62.A N GLU 58.A O no hydrogen 3.178 N/A ARG 62.A NH1 GLU 58.A OE1 no hydrogen 2.753 N/A ARG 62.A NH1 GLY 159.A O no hydrogen 3.327 N/A PHE 63.A N LYS 59.A O no hydrogen 3.152 N/A ILE 64.A N LEU 60.A O no hydrogen 2.857 N/A MET 65.A N CYS 61.A O no hydrogen 3.204 N/A SER 66.A N ARG 62.A O no hydrogen 3.196 N/A SER 66.A OG ARG 62.A O no hydrogen 2.632 N/A SER 66.A OG HIS 160.A NE2 no hydrogen 3.199 N/A VAL 67.A N PHE 63.A O no hydrogen 2.896 N/A LYS 68.A N ILE 64.A O no hydrogen 2.890 N/A LYS 69.A N MET 65.A O no hydrogen 2.997 N/A ASN 70.A N VAL 67.A O no hydrogen 3.002 N/A ASN 70.A ND2 SER 1.A O no hydrogen 2.747 N/A ASN 70.A ND2 SER 66.A O no hydrogen 2.252 N/A TYR 71.A N LYS 68.A O no hydrogen 3.117 N/A TYR 71.A OH LEU 113.A O no hydrogen 2.572 N/A TYR 76.A N GLU 247.A OE1 no hydrogen 2.630 N/A HIS 77.A N GLU 247.A OE1 no hydrogen 2.964 N/A HIS 77.A ND1 GLU 247.A OE2 no hydrogen 2.914 N/A ASN 78.A N TYR 76.A O no hydrogen 2.876 N/A ASN 78.A ND2 VAL 74.A O no hydrogen 2.650 N/A LYS 80.A N ASN 78.A OD1 no hydrogen 3.220 N/A ALA 82.A N ASN 78.A O no hydrogen 3.180 N/A VAL 83.A N TRP 79.A O no hydrogen 3.261 N/A THR 84.A N LYS 80.A O no hydrogen 3.211 N/A THR 84.A N HIS 81.A O no hydrogen 3.154 N/A THR 84.A OG1 LYS 80.A O no hydrogen 2.542 N/A VAL 85.A N HIS 81.A O no hydrogen 2.974 N/A ALA 86.A N ALA 82.A O no hydrogen 3.033 N/A HIS 87.A N VAL 83.A O no hydrogen 2.985 N/A HIS 87.A NE2 ILE 24.A O no hydrogen 2.662 N/A CYS 88.A N THR 84.A O no hydrogen 2.872 N/A MET 89.A N VAL 85.A O no hydrogen 3.008 N/A TYR 90.A N ALA 86.A O no hydrogen 3.123 N/A TYR 90.A OH GLU 25.A OE2 no hydrogen 2.829 N/A ALA 91.A N HIS 87.A O no hydrogen 3.133 N/A ILE 92.A N CYS 88.A O no hydrogen 3.038 N/A LEU 93.A N MET 89.A O no hydrogen 2.627 N/A GLN 94.A N TYR 90.A O no hydrogen 2.773 N/A GLN 94.A NE2 GLU 25.A OE1 no hydrogen 2.894 N/A ASN 95.A N ALA 91.A O no hydrogen 3.126 N/A ASN 95.A ND2 ALA 91.A O no hydrogen 2.520 N/A ASN 96.A N LEU 93.A O no hydrogen 2.917 N/A ASN 96.A ND2 ILE 92.A O no hydrogen 2.685 N/A LEU 99.A N ASN 96.A O no hydrogen 3.322 N/A THR 101.A N GLU 104.A OE1 no hydrogen 3.194 N/A LEU 103.A N ASP 102.A OD1 no hydrogen 3.197 N/A GLU 104.A N THR 101.A OG1 no hydrogen 2.822 N/A ARG 105.A N THR 101.A O no hydrogen 2.968 N/A ARG 105.A NE SER 49.A O no hydrogen 3.198 N/A ARG 105.A NH1 HIS 97.A O no hydrogen 3.257 N/A ARG 105.A NH2 SER 49.A O no hydrogen 3.046 N/A LYS 106.A N ASP 102.A O no hydrogen 2.957 N/A GLY 107.A N LEU 103.A O no hydrogen 3.153 N/A LEU 108.A N GLU 104.A O no hydrogen 2.889 N/A LEU 109.A N ARG 105.A O no hydrogen 3.253 N/A ILE 110.A N LYS 106.A O no hydrogen 3.328 N/A ALA 111.A N GLY 107.A O no hydrogen 2.703 N/A CYS 112.A N LEU 108.A O no hydrogen 2.996 N/A CYS 112.A SG LEU 108.A O no hydrogen 3.192 N/A LEU 113.A N LEU 109.A O no hydrogen 3.189 N/A CYS 114.A N ILE 110.A O no hydrogen 3.101 N/A CYS 114.A SG ILE 110.A O no hydrogen 2.925 N/A HIS 115.A ND1 CYS 112.A O no hydrogen 2.865 N/A HIS 115.A NE2 ASP 226.A OD1 no hydrogen 2.876 N/A ASP 116.A N TYR 71.A OH no hydrogen 3.203 N/A LEU 117.A N CYS 114.A O no hydrogen 3.109 N/A HIS 119.A N ASP 116.A O no hydrogen 2.980 N/A GLY 121.A N HIS 119.A ND1 no hydrogen 3.139 N/A SER 123.A N GLU 251.A OE1 no hydrogen 2.846 N/A SER 123.A OG GLU 251.A OE2 no hydrogen 3.011 N/A ASN 124.A ND2 GLU 144.A OE1 no hydrogen 3.153 N/A TYR 126.A N SER 123.A OG no hydrogen 3.212 N/A LEU 127.A N SER 123.A O no hydrogen 3.455 N/A GLN 128.A N ASN 124.A O no hydrogen 3.140 N/A GLN 128.A NE2 THR 142.A OG1 no hydrogen 2.513 N/A LYS 129.A N SER 125.A O no hydrogen 2.975 N/A LYS 129.A N TYR 126.A O no hydrogen 2.787 N/A PHE 130.A N TYR 126.A O no hydrogen 2.896 N/A HIS 132.A N LEU 127.A O no hydrogen 2.943 N/A LEU 134.A N HIS 132.A ND1 no hydrogen 3.056 N/A ALA 135.A N HIS 132.A O no hydrogen 2.933 N/A ALA 136.A N HIS 132.A O no hydrogen 3.240 N/A ALA 136.A N PRO 133.A O no hydrogen 3.075 N/A LEU 137.A N PRO 133.A O no hydrogen 3.217 N/A TYR 138.A N LEU 134.A O no hydrogen 2.817 N/A SER 141.A OG ASP 186.A OD2 no hydrogen 2.639 N/A THR 142.A OG1 TYR 138.A O no hydrogen 2.944 N/A MET 143.A N ASN 124.A OD1 no hydrogen 2.997 N/A GLN 145.A N SER 141.A O no hydrogen 3.092 N/A HIS 146.A N THR 142.A O no hydrogen 3.412 N/A HIS 146.A NE2 ASP 118.A OD2 no hydrogen 3.266 N/A HIS 147.A N MET 143.A O no hydrogen 2.822 N/A HIS 147.A ND1 LEU 117.A O no hydrogen 2.646 N/A PHE 148.A N GLU 144.A O no hydrogen 3.084 N/A SER 149.A N GLN 145.A O no hydrogen 3.039 N/A GLN 150.A N HIS 146.A O no hydrogen 2.919 N/A THR 151.A N HIS 147.A O no hydrogen 3.126 N/A THR 151.A OG1 HIS 147.A O no hydrogen 2.791 N/A VAL 152.A N PHE 148.A O no hydrogen 3.251 N/A SER 153.A N SER 149.A O no hydrogen 3.064 N/A SER 153.A OG SER 149.A O no hydrogen 3.035 N/A ILE 154.A N GLN 150.A O no hydrogen 3.033 N/A ILE 154.A N THR 151.A O no hydrogen 3.013 N/A LEU 155.A N THR 151.A O no hydrogen 2.912 N/A GLN 156.A N VAL 152.A O no hydrogen 2.626 N/A HIS 160.A N LEU 157.A O no hydrogen 3.085 N/A PHE 163.A N ASN 161.A OD1 no hydrogen 3.363 N/A SER 164.A N ASN 161.A O no hydrogen 3.411 N/A SER 164.A OG ASN 161.A O no hydrogen 3.200 N/A LEU 166.A N PHE 163.A O no hydrogen 2.960 N/A SER 167.A OG GLU 170.A OE1 no hydrogen 3.091 N/A GLU 170.A N SER 167.A OG no hydrogen 3.390 N/A TYR 171.A N SER 167.A O no hydrogen 2.860 N/A GLU 172.A N SER 168.A O no hydrogen 3.439 N/A GLN 173.A N SER 169.A O no hydrogen 3.120 N/A VAL 174.A N GLU 170.A O no hydrogen 2.722 N/A LEU 175.A N TYR 171.A O no hydrogen 3.236 N/A GLU 176.A N GLN 173.A O no hydrogen 3.252 N/A ILE 177.A N GLN 173.A O no hydrogen 3.196 N/A ILE 178.A N VAL 174.A O no hydrogen 2.985 N/A ARG 179.A N LEU 175.A O no hydrogen 3.102 N/A ARG 179.A NE GLU 176.A OE1 no hydrogen 3.248 N/A ARG 179.A NE GLU 176.A OE2 no hydrogen 2.948 N/A ARG 179.A NH2 GLU 176.A OE2 no hydrogen 2.619 N/A LYS 180.A N GLU 176.A O no hydrogen 3.132 N/A LYS 180.A NZ ASP 215.A OD2 no hydrogen 2.747 N/A ALA 181.A N ILE 177.A O no hydrogen 3.007 N/A ILE 182.A N ILE 178.A O no hydrogen 3.088 N/A ILE 183.A N ARG 179.A O no hydrogen 3.229 N/A ALA 184.A N LYS 180.A O no hydrogen 3.020 N/A THR 185.A N ILE 182.A O no hydrogen 2.910 N/A THR 185.A OG1 ILE 182.A O no hydrogen 2.395 N/A ASP 186.A N ILE 183.A O no hydrogen 3.139 N/A ALA 188.A N ASP 186.A OD1 no hydrogen 3.037 N/A LEU 189.A N ASP 186.A O no hydrogen 3.010 N/A TYR 190.A N LEU 187.A O no hydrogen 3.076 N/A ASN 193.A N LEU 189.A O no hydrogen 3.075 N/A ASN 193.A ND2 ARG 216.A O no hydrogen 2.882 N/A ARG 194.A N TYR 190.A O no hydrogen 2.663 N/A ARG 194.A NH1 THR 292.A OG1 no hydrogen 2.818 N/A LYS 195.A N PHE 191.A O no hydrogen 3.148 N/A GLN 196.A N GLY 192.A O no hydrogen 3.135 N/A LEU 197.A N ASN 193.A O no hydrogen 3.215 N/A GLU 198.A N ARG 194.A O no hydrogen 2.961 N/A GLU 199.A N LYS 195.A O no hydrogen 3.080 N/A MET 200.A N GLN 196.A O no hydrogen 2.966 N/A TYR 201.A N LEU 197.A O no hydrogen 3.033 N/A GLN 202.A N GLU 198.A O no hydrogen 3.271 N/A THR 203.A N GLU 199.A O no hydrogen 3.241 N/A THR 203.A OG1 GLU 199.A O no hydrogen 3.300 N/A GLY 204.A N TYR 201.A O no hydrogen 3.148 N/A SER 205.A N MET 200.A O no hydrogen 2.817 N/A SER 205.A OG MET 200.A O no hydrogen 3.256 N/A LEU 206.A N MET 200.A O no hydrogen 3.003 N/A ASN 207.A N HIS 213.A ND1 no hydrogen 3.394 N/A ASN 210.A N ASN 207.A O no hydrogen 2.998 N/A GLN 211.A NE2 GLN 211.A O no hydrogen 3.309 N/A GLN 211.A NE2 ASP 215.A OD1 no hydrogen 2.781 N/A SER 212.A N ASN 210.A OD1 no hydrogen 3.314 N/A SER 212.A OG ASN 210.A OD1 no hydrogen 2.942 N/A ARG 214.A N ASN 210.A O no hydrogen 2.811 N/A ARG 214.A NE GLU 104.A OE1 no hydrogen 3.324 N/A ARG 214.A NE GLU 104.A OE2 no hydrogen 2.538 N/A ARG 214.A NH1 LEU 208.A O no hydrogen 2.921 N/A ARG 214.A NH2 LEU 99.A O no hydrogen 2.624 N/A ARG 214.A NH2 GLU 104.A OE1 no hydrogen 2.597 N/A ASP 215.A N GLN 211.A O no hydrogen 2.780 N/A ARG 216.A N SER 212.A O no hydrogen 3.159 N/A ARG 216.A NH1 ASN 193.A OD1 no hydrogen 3.006 N/A VAL 217.A N HIS 213.A O no hydrogen 3.004 N/A ILE 218.A N ARG 214.A O no hydrogen 2.984 N/A GLY 219.A N ASP 215.A O no hydrogen 3.005 N/A LEU 220.A N ARG 216.A O no hydrogen 3.311 N/A MET 221.A N VAL 217.A O no hydrogen 2.969 N/A MET 222.A N ILE 218.A O no hydrogen 2.902 N/A THR 223.A N GLY 219.A O no hydrogen 3.030 N/A THR 223.A OG1 GLY 219.A O no hydrogen 3.242 N/A ALA 224.A N LEU 220.A O no hydrogen 2.872 N/A CYS 225.A N MET 221.A O no hydrogen 2.924 N/A CYS 225.A SG VAL 85.A O no hydrogen 4.015 N/A CYS 225.A SG MET 221.A O no hydrogen 3.127 N/A ASP 226.A N MET 222.A O no hydrogen 2.820 N/A LEU 227.A N THR 223.A O no hydrogen 2.968 N/A CYS 228.A N CYS 225.A O no hydrogen 3.142 N/A CYS 228.A SG THR 84.A O no hydrogen 3.824 N/A CYS 228.A SG CYS 225.A O no hydrogen 3.221 N/A VAL 230.A N LEU 227.A O no hydrogen 3.023 N/A THR 231.A N CYS 228.A O no hydrogen 3.035 N/A THR 231.A OG1 CYS 228.A O no hydrogen 2.532 N/A LYS 232.A N SER 229.A O no hydrogen 3.289 N/A LYS 232.A NZ PHE 27.A O no hydrogen 3.340 N/A LYS 232.A NZ PHE 29.A O no hydrogen 3.000 N/A VAL 236.A N LEU 233.A O no hydrogen 2.832 N/A THR 237.A N LEU 233.A O no hydrogen 3.167 N/A THR 237.A OG1 SER 229.A O no hydrogen 2.921 N/A THR 237.A OG1 LEU 233.A O no hydrogen 3.538 N/A LYS 238.A N TRP 234.A O no hydrogen 2.795 N/A LEU 239.A N PRO 235.A O no hydrogen 3.379 N/A THR 240.A N VAL 236.A O no hydrogen 3.186 N/A THR 240.A OG1 VAL 236.A O no hydrogen 3.222 N/A ALA 241.A N THR 237.A O no hydrogen 3.056 N/A ASN 242.A N LYS 238.A O no hydrogen 3.310 N/A ILE 244.A N THR 240.A O no hydrogen 2.913 N/A TYR 245.A N ALA 241.A O no hydrogen 2.897 N/A TYR 245.A OH GLN 278.A OE1 no hydrogen 2.918 N/A ALA 246.A N ASN 242.A O no hydrogen 2.713 N/A GLU 247.A N ASP 243.A O no hydrogen 3.125 N/A GLU 247.A N ILE 244.A O no hydrogen 2.986 N/A PHE 248.A N ILE 244.A O no hydrogen 2.781 N/A TRP 249.A N TYR 245.A O no hydrogen 2.627 N/A GLU 251.A N GLU 247.A O no hydrogen 3.267 N/A GLU 251.A N PHE 248.A O no hydrogen 3.172 N/A GLY 252.A N PHE 248.A O no hydrogen 3.047 N/A ASP 253.A N TRP 249.A O no hydrogen 3.031 N/A MET 255.A N GLU 251.A O no hydrogen 3.296 N/A LYS 256.A N GLY 252.A O no hydrogen 2.859 N/A LYS 256.A NZ ASP 267.A OD1 no hydrogen 2.824 N/A LYS 256.A NZ ASP 269.A OD2 no hydrogen 3.343 N/A LYS 257.A N ASP 253.A O no hydrogen 2.871 N/A LEU 258.A N GLU 254.A O no hydrogen 3.000 N/A GLY 259.A N LYS 256.A O no hydrogen 2.767 N/A MET 266.A N ILE 263.A O no hydrogen 3.023 N/A ASP 267.A N PRO 264.A O no hydrogen 3.334 N/A ARG 268.A NE ASP 253.A OD1 no hydrogen 3.299 N/A ARG 268.A NE ASP 253.A OD2 no hydrogen 2.883 N/A ARG 268.A NH2 ASP 253.A OD2 no hydrogen 2.516 N/A ASP 269.A N ASP 267.A OD1 no hydrogen 2.664 N/A LYS 270.A N ASP 267.A O no hydrogen 3.208 N/A LYS 271.A N ARG 268.A O no hydrogen 3.354 N/A GLU 273.A N LYS 270.A O no hydrogen 2.969 N/A VAL 274.A N LYS 271.A O no hydrogen 2.721 N/A GLY 277.A N GLU 273.A O no hydrogen 3.004 N/A GLN 278.A N VAL 274.A O no hydrogen 2.791 N/A LEU 279.A N PRO 275.A O no hydrogen 2.753 N/A GLY 280.A N GLN 276.A O no hydrogen 3.133 N/A PHE 281.A N GLY 277.A O no hydrogen 2.878 N/A TYR 282.A N GLN 278.A O no hydrogen 2.931 N/A ASN 283.A N LEU 279.A O no hydrogen 3.129 N/A ASN 283.A ND2 LEU 279.A O no hydrogen 2.981 N/A ALA 284.A N GLY 280.A O no hydrogen 2.743 N/A VAL 285.A N PHE 281.A O no hydrogen 2.718 N/A ALA 286.A N PHE 281.A O no hydrogen 2.972 N/A ILE 287.A N TYR 282.A O no hydrogen 2.749 N/A CYS 289.A N VAL 285.A O no hydrogen 3.189 N/A TYR 290.A N ALA 286.A O no hydrogen 3.200 N/A TYR 290.A OH ALA 224.A O no hydrogen 2.556 N/A THR 291.A N ILE 287.A O no hydrogen 2.816 N/A THR 291.A OG1 ILE 287.A O no hydrogen 2.507 N/A THR 292.A N PRO 288.A O no hydrogen 3.082 N/A THR 292.A OG1 GLU 198.A OE1 no hydrogen 3.290 N/A THR 292.A OG1 PRO 288.A O no hydrogen 3.085 N/A LEU 293.A N CYS 289.A O no hydrogen 3.003 N/A THR 294.A N TYR 290.A O no hydrogen 3.110 N/A THR 294.A OG1 TYR 290.A O no hydrogen 2.585 N/A GLN 295.A N THR 291.A O no hydrogen 3.211 N/A GLN 295.A N THR 292.A O no hydrogen 3.098 N/A ILE 296.A N THR 292.A O no hydrogen 3.132 N/A LEU 297.A N LEU 293.A O no hydrogen 2.595 N/A THR 300.A N LEU 297.A O no hydrogen 2.897 N/A THR 300.A OG1 LEU 297.A O no hydrogen 2.523 N/A GLU 301.A N PRO 298.A O no hydrogen 3.034 N/A LEU 303.A N THR 300.A O no hydrogen 2.728 N/A LYS 305.A N GLU 301.A O no hydrogen 3.079 N/A ALA 306.A N PRO 302.A O no hydrogen 3.175 N/A CYS 307.A N LEU 303.A O no hydrogen 3.118 N/A ARG 308.A N LEU 304.A O no hydrogen 2.957 N/A ASP 309.A N LYS 305.A O no hydrogen 3.107 N/A ASN 310.A N ALA 306.A O no hydrogen 3.099 N/A ASN 310.A ND2 VAL 230.A O no hydrogen 2.753 N/A ASN 310.A ND2 LYS 232.A O no hydrogen 2.775 N/A LEU 311.A N CYS 307.A O no hydrogen 2.939 N/A SER 312.A N ARG 308.A O no hydrogen 3.017 N/A GLN 313.A N ASP 309.A O no hydrogen 3.050 N/A TRP 314.A N ASN 310.A O no hydrogen 2.951 N/A GLU 315.A N LEU 311.A O no hydrogen 3.008 N/A LYS 316.A N SER 312.A O no hydrogen 2.983 N/A VAL 317.A N GLN 313.A O no hydrogen 3.151 N/A VAL 317.A N TRP 314.A O no hydrogen 3.156 N/A ILE 318.A N TRP 314.A O no hydrogen 3.183 N/A ARG 319.A N GLU 315.A O no hydrogen 3.242 N/A ARG 319.A NE GLU 321.A OE1 no hydrogen 3.021 N/A ARG 319.A NH2 GLU 321.A OE1 no hydrogen 3.406 N/A GLY 320.A N VAL 317.A O no hydrogen 3.382 N/A GLU 321.A N LYS 316.A O no hydrogen 2.865 N/A