Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1gub_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 3.A N SER 33.A OG no hydrogen 3.288 N/A ALA 5.A N GLY 62.A O no hydrogen 3.311 N/A VAL 6.A N ASP 35.A O no hydrogen 3.236 N/A VAL 7.A N ALA 64.A O no hydrogen 3.267 N/A LEU 8.A N PHE 37.A O no hydrogen 3.067 N/A LYS 9.A NZ PRO 67.A O no hydrogen 3.524 N/A LYS 9.A NZ GLU 92.A OE2 no hydrogen 2.941 N/A THR 10.A OG1 PRO 40.A O no hydrogen 2.732 N/A PHE 15.A N ASN 13.A OD1 no hydrogen 3.085 N/A TRP 16.A N ASN 13.A O no hydrogen 3.156 N/A VAL 17.A N ASN 13.A O no hydrogen 3.369 N/A ASP 18.A N PRO 14.A O no hydrogen 3.173 N/A MET 19.A N PHE 15.A O no hydrogen 3.323 N/A LYS 20.A N TRP 16.A O no hydrogen 3.316 N/A LYS 21.A N VAL 17.A O no hydrogen 3.442 N/A LYS 21.A NZ ASP 25.A OD2 no hydrogen 2.912 N/A GLY 22.A N ASP 18.A O no hydrogen 3.315 N/A ILE 23.A N MET 19.A O no hydrogen 3.312 N/A GLU 24.A N LYS 20.A O no hydrogen 3.229 N/A ASP 25.A N LYS 21.A O no hydrogen 3.284 N/A GLU 26.A N GLY 22.A O no hydrogen 3.258 N/A ALA 27.A N GLU 24.A O no hydrogen 3.190 N/A LYS 28.A N ASP 25.A O no hydrogen 3.241 N/A GLY 31.A N ALA 27.A O no hydrogen 3.261 N/A VAL 32.A N ALA 27.A O no hydrogen 3.385 N/A ASP 35.A N TYR 4.A O no hydrogen 3.066 N/A PHE 37.A N VAL 6.A O no hydrogen 3.078 N/A SER 41.A N ASP 44.A OD2 no hydrogen 3.220 N/A GLN 48.A N ASP 44.A O no hydrogen 3.261 N/A GLN 48.A NE2 LEU 8.A O no hydrogen 2.956 N/A GLN 48.A NE2 ALA 66.A O no hydrogen 3.033 N/A LEU 49.A N PHE 45.A O no hydrogen 3.333 N/A GLN 50.A N GLN 46.A O no hydrogen 2.975 N/A LEU 51.A N SER 47.A O no hydrogen 3.130 N/A PHE 52.A N GLN 48.A O no hydrogen 3.226 N/A GLU 53.A N LEU 49.A O no hydrogen 3.413 N/A ASP 54.A N GLN 50.A O no hydrogen 3.327 N/A ASP 54.A N LEU 51.A O no hydrogen 3.253 N/A LEU 55.A N LEU 51.A O no hydrogen 3.329 N/A SER 56.A N PHE 52.A O no hydrogen 3.193 N/A SER 56.A N GLU 53.A O no hydrogen 3.104 N/A SER 56.A OG PHE 52.A O no hydrogen 2.915 N/A ASN 57.A N ASP 54.A O no hydrogen 3.399 N/A LYS 58.A N LEU 55.A O no hydrogen 3.074 N/A TYR 60.A OH ASP 35.A OD2 no hydrogen 3.054 N/A ILE 63.A N TYR 86.A O no hydrogen 3.376 N/A ALA 64.A N ALA 5.A O no hydrogen 3.132 N/A PHE 65.A N VAL 88.A O no hydrogen 3.027 N/A ALA 66.A N VAL 7.A O no hydrogen 3.041 N/A LEU 68.A N GLN 48.A OE1 no hydrogen 3.373 N/A ASN 72.A ND2 PHE 45.A O no hydrogen 3.019 N/A ASN 72.A ND2 GLN 48.A OE1 no hydrogen 3.597 N/A VAL 77.A N LEU 73.A O no hydrogen 3.364 N/A ALA 78.A N VAL 74.A O no hydrogen 3.096 N/A ARG 79.A N MET 75.A O no hydrogen 3.215 N/A ARG 79.A NH2 GLU 53.A OE1 no hydrogen 3.308 N/A ARG 79.A NH2 GLU 53.A OE2 no hydrogen 3.506 N/A ALA 80.A N PRO 76.A O no hydrogen 3.227 N/A TRP 81.A N VAL 77.A O no hydrogen 3.220 N/A TRP 81.A NE1 ILE 270.A O no hydrogen 3.085 N/A LYS 82.A N ALA 78.A O no hydrogen 3.344 N/A LYS 82.A NZ ALA 102.A O no hydrogen 2.958 N/A LYS 83.A N ARG 79.A O no hydrogen 3.270 N/A GLY 84.A N TRP 81.A O no hydrogen 3.134 N/A ILE 85.A N ALA 80.A O no hydrogen 3.265 N/A TYR 86.A N LYS 61.A O no hydrogen 3.412 N/A ASN 89.A ND2 PHE 65.A O no hydrogen 3.695 N/A ASN 89.A ND2 GLU 92.A O no hydrogen 3.215 N/A LEU 90.A N PHE 65.A O no hydrogen 2.759 N/A ASP 91.A N VAL 110.A O no hydrogen 3.104 N/A ILE 94.A N ASN 89.A OD1 no hydrogen 3.102 N/A ASP 95.A N SER 70.A O no hydrogen 3.112 N/A ASP 97.A N ASP 95.A OD1 no hydrogen 3.181 N/A ASN 98.A N ASP 95.A OD1 no hydrogen 3.229 N/A LEU 99.A N ASP 95.A O no hydrogen 3.335 N/A LYS 100.A N ASP 97.A O no hydrogen 3.268 N/A LYS 100.A NZ LEU 272.A O no hydrogen 3.244 N/A ALA 102.A N ASN 98.A O no hydrogen 3.131 N/A GLY 103.A N LYS 100.A O no hydrogen 3.127 N/A GLY 104.A N LEU 99.A O no hydrogen 3.220 N/A ASN 105.A ND2 PRO 271.A O no hydrogen 3.359 N/A ASN 105.A ND2 LYS 274.A O no hydrogen 3.134 N/A GLU 107.A N LEU 87.A O no hydrogen 2.947 N/A PHE 109.A N GLU 277.A O no hydrogen 3.318 N/A VAL 110.A N ASN 89.A O no hydrogen 3.398 N/A THR 111.A N LYS 279.A O no hydrogen 3.466 N/A THR 111.A OG1 ASP 91.A O no hydrogen 3.020 N/A THR 111.A OG1 THR 112.A O no hydrogen 3.455 N/A THR 112.A OG1 GLN 247.A OE1 no hydrogen 3.005 N/A VAL 115.A N ASP 113.A OD1 no hydrogen 3.070 N/A ALA 116.A N ASP 113.A O no hydrogen 3.154 N/A VAL 117.A N ASP 113.A O no hydrogen 3.318 N/A VAL 117.A N ASN 114.A O no hydrogen 3.297 N/A GLY 118.A N ASN 114.A O no hydrogen 3.297 N/A ALA 119.A N VAL 115.A O no hydrogen 3.160 N/A LYS 120.A N VAL 117.A O no hydrogen 3.242 N/A LYS 120.A NZ SER 283.A O no hydrogen 3.014 N/A GLY 121.A N VAL 117.A O no hydrogen 3.239 N/A ALA 122.A N GLY 118.A O no hydrogen 3.142 N/A SER 123.A N ALA 119.A O no hydrogen 3.303 N/A ILE 126.A N ALA 122.A O no hydrogen 3.098 N/A LYS 128.A N PHE 124.A O no hydrogen 3.171 N/A LYS 128.A N ILE 125.A O no hydrogen 3.119 N/A LEU 129.A N ILE 125.A O no hydrogen 2.857 N/A GLY 130.A N ILE 126.A O no hydrogen 3.181 N/A GLY 134.A N GLN 164.A O no hydrogen 3.209 N/A VAL 136.A N LYS 166.A O no hydrogen 3.043 N/A ALA 137.A N ALA 196.A O no hydrogen 3.255 N/A ILE 138.A N ALA 169.A O no hydrogen 3.341 N/A GLU 140.A N GLN 171.A O no hydrogen 2.954 N/A ALA 150.A N ALA 146.A O no hydrogen 2.904 N/A ARG 151.A NE ASN 114.A OD1 no hydrogen 3.367 N/A ARG 151.A NH1 ALA 200.A O no hydrogen 2.777 N/A ARG 152.A N GLU 149.A O no hydrogen 3.064 N/A ARG 152.A NH2 ASN 153.A OD1 no hydrogen 3.226 N/A ASN 153.A N GLU 149.A O no hydrogen 3.013 N/A GLY 154.A N ALA 150.A O no hydrogen 3.407 N/A ALA 155.A N ARG 151.A O no hydrogen 3.383 N/A THR 156.A N ARG 152.A O no hydrogen 3.178 N/A THR 156.A OG1 ARG 152.A O no hydrogen 2.623 N/A GLU 157.A N ASN 153.A O no hydrogen 2.898 N/A ALA 158.A N GLY 154.A O no hydrogen 3.193 N/A PHE 159.A N ALA 155.A O no hydrogen 3.328 N/A LYS 160.A N THR 156.A O no hydrogen 3.165 N/A LYS 161.A N GLU 157.A O no hydrogen 3.340 N/A GLN 164.A N GLN 164.A OE1 no hydrogen 3.056 N/A GLN 164.A NE2 GLY 130.A O no hydrogen 3.192 N/A ILE 165.A N ALA 162.A O no hydrogen 3.326 N/A LYS 166.A N GLY 134.A O no hydrogen 3.043 N/A VAL 168.A N VAL 136.A O no hydrogen 2.928 N/A SER 170.A OG GLU 140.A OE2 no hydrogen 2.939 N/A GLN 171.A N ILE 138.A O no hydrogen 3.193 N/A ALA 173.A N GLY 141.A O no hydrogen 3.338 N/A ILE 178.A N ASP 176.A OD1 no hydrogen 3.319 N/A ALA 180.A N ASP 176.A O no hydrogen 2.808 N/A LEU 181.A N ARG 177.A O no hydrogen 3.073 N/A ASP 182.A N ILE 178.A O no hydrogen 3.025 N/A ASP 182.A N LYS 179.A O no hydrogen 3.262 N/A VAL 183.A N LYS 179.A O no hydrogen 3.133 N/A ALA 184.A N LEU 181.A O no hydrogen 3.250 N/A THR 185.A N LEU 181.A O no hydrogen 3.036 N/A THR 185.A OG1 LEU 181.A O no hydrogen 2.778 N/A VAL 187.A N VAL 183.A O no hydrogen 3.214 N/A LEU 188.A N ALA 184.A O no hydrogen 3.150 N/A GLN 189.A N THR 185.A O no hydrogen 3.054 N/A GLN 189.A N ASN 186.A O no hydrogen 3.365 N/A ARG 190.A N ASN 186.A O no hydrogen 3.029 N/A ASN 191.A N VAL 187.A O no hydrogen 2.759 N/A LYS 195.A N GLU 135.A O no hydrogen 2.769 N/A ILE 197.A N LEU 222.A O no hydrogen 3.038 N/A TYR 198.A OH THR 226.A OG1 no hydrogen 2.947 N/A CYS 199.A N VAL 224.A O no hydrogen 2.903 N/A CYS 199.A SG ILE 197.A O no hydrogen 3.989 N/A CYS 199.A SG VAL 224.A O no hydrogen 3.154 N/A ALA 200.A N ILE 139.A O no hydrogen 3.344 N/A ASN 201.A ND2 ALA 200.A O no hydrogen 3.563 N/A THR 203.A N ASN 201.A OD1 no hydrogen 3.506 N/A ALA 205.A N ASN 201.A O no hydrogen 3.037 N/A MET 206.A N THR 203.A O no hydrogen 3.358 N/A VAL 208.A N MET 204.A O no hydrogen 3.051 N/A VAL 208.A N ALA 205.A O no hydrogen 3.358 N/A ALA 209.A N ALA 205.A O no hydrogen 3.196 N/A VAL 212.A N VAL 208.A O no hydrogen 3.290 N/A ALA 213.A N ALA 209.A O no hydrogen 3.249 N/A ASN 214.A N GLN 210.A O no hydrogen 2.918 N/A ALA 215.A N ALA 211.A O no hydrogen 3.381 N/A LYS 217.A NZ PRO 192.A O no hydrogen 3.423 N/A THR 218.A OG1 VAL 212.A O no hydrogen 3.490 N/A LYS 220.A N LYS 217.A O no hydrogen 3.130 N/A VAL 221.A N LYS 217.A O no hydrogen 3.154 N/A LEU 222.A N LYS 195.A O no hydrogen 3.162 N/A VAL 223.A N THR 242.A OG1 no hydrogen 2.896 N/A VAL 224.A N ILE 197.A O no hydrogen 3.289 N/A GLY 225.A N ALA 243.A O no hydrogen 3.069 N/A THR 226.A OG1 TYR 198.A OH no hydrogen 2.947 N/A THR 226.A OG1 CYS 199.A O no hydrogen 3.284 N/A ASP 227.A N VAL 245.A O no hydrogen 3.053 N/A ILE 229.A N ASP 202.A OD2 no hydrogen 3.250 N/A ARG 233.A N ILE 229.A O no hydrogen 3.046 N/A ARG 233.A NE GLY 228.A O no hydrogen 2.823 N/A LYS 234.A N GLU 231.A O no hydrogen 2.697 N/A MET 235.A N GLU 231.A O no hydrogen 3.180 N/A VAL 236.A N ALA 232.A O no hydrogen 3.030 N/A GLU 237.A N ARG 233.A O no hydrogen 3.268 N/A GLU 237.A N LYS 234.A O no hydrogen 2.981 N/A ALA 238.A N LYS 234.A O no hydrogen 3.105 N/A ALA 238.A N MET 235.A O no hydrogen 3.049 N/A GLY 239.A N MET 235.A O no hydrogen 3.214 N/A GLN 240.A N MET 235.A O no hydrogen 3.191 N/A THR 242.A N VAL 223.A O no hydrogen 3.053 N/A ALA 243.A N VAL 223.A O no hydrogen 3.413 N/A THR 244.A N VAL 286.A O no hydrogen 3.312 N/A THR 244.A OG1 ASP 202.A OD1 no hydrogen 2.603 N/A THR 244.A OG1 ASP 202.A OD2 no hydrogen 3.437 N/A VAL 245.A N GLY 225.A O no hydrogen 3.009 N/A ASP 251.A N ASN 248.A O no hydrogen 3.164 N/A ILE 252.A N PRO 249.A O no hydrogen 3.174 N/A GLY 253.A N PRO 249.A O no hydrogen 3.235 N/A ALA 254.A N ALA 250.A O no hydrogen 3.070 N/A THR 255.A N ASP 251.A O no hydrogen 3.273 N/A THR 255.A OG1 ASP 251.A O no hydrogen 2.644 N/A GLY 256.A N ILE 252.A O no hydrogen 3.244 N/A LEU 257.A N GLY 253.A O no hydrogen 3.163 N/A LYS 258.A N ALA 254.A O no hydrogen 3.157 N/A LYS 258.A NZ ASP 262.A OD2 no hydrogen 3.240 N/A LEU 259.A N THR 255.A O no hydrogen 3.360 N/A MET 260.A N LEU 257.A O no hydrogen 3.255 N/A VAL 261.A N LEU 257.A O no hydrogen 3.136 N/A ASP 262.A N LYS 258.A O no hydrogen 3.068 N/A ALA 263.A N LEU 259.A O no hydrogen 3.271 N/A GLU 264.A N MET 260.A O no hydrogen 3.154 N/A LYS 265.A N VAL 261.A O no hydrogen 3.202 N/A SER 266.A N ALA 263.A O no hydrogen 3.091 N/A SER 266.A OG ALA 263.A O no hydrogen 2.907 N/A GLY 267.A N ALA 263.A O no hydrogen 3.366 N/A GLY 267.A N GLU 264.A O no hydrogen 3.214 N/A ILE 270.A N GLU 107.A OE2 no hydrogen 3.222 N/A GLU 277.A N GLU 107.A O no hydrogen 3.305 N/A VAL 281.A N THR 111.A O no hydrogen 3.140 N/A ILE 284.A N ALA 246.A O no hydrogen 3.107 N/A VAL 286.A N THR 244.A O no hydrogen 3.068 N/A