Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xae_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 6.A N VAL 2.A O no hydrogen 2.985 N/A VAL 7.A N THR 3.A O no hydrogen 2.675 N/A TYR 8.A N THR 3.A O no hydrogen 3.040 N/A LYS 9.A N ASP 4.A O no hydrogen 2.677 N/A GLY 10.A N VAL 7.A O no hydrogen 2.892 N/A ASN 11.A N PHE 5.A O no hydrogen 3.219 N/A ASN 11.A ND2 PHE 5.A O no hydrogen 3.036 N/A GLY 12.A N VAL 6.A O no hydrogen 2.849 N/A VAL 13.A N ASP 135.A OD1 no hydrogen 3.065 N/A LYS 14.A N ASP 135.A OD2 no hydrogen 3.007 N/A LYS 14.A NZ GLU 18.A OE2 no hydrogen 2.484 N/A LYS 14.A NZ PHE 97.A O no hydrogen 3.125 N/A LYS 14.A NZ ASN 98.A OD1 no hydrogen 3.331 N/A LEU 16.A N GLY 12.A O no hydrogen 3.361 N/A SER 17.A N VAL 13.A O no hydrogen 2.888 N/A SER 17.A OG ILE 205.A O no hydrogen 2.506 N/A GLU 18.A N LYS 14.A O no hydrogen 2.803 N/A THR 19.A N LEU 16.A O no hydrogen 3.088 N/A THR 19.A OG1 LEU 16.A O no hydrogen 2.408 N/A GLY 20.A N SER 17.A O no hydrogen 3.293 N/A GLN 27.A NE2 GLU 1.A OE1 no hydrogen 3.478 N/A TYR 28.A N PRO 25.A O no hydrogen 3.253 N/A TYR 28.A OH SER 122.A OG no hydrogen 2.759 N/A ILE 29.A N GLU 26.A O no hydrogen 3.230 N/A GLN 30.A N LEU 211.A O no hydrogen 2.694 N/A GLN 30.A NE2 TYR 28.A O no hydrogen 3.521 N/A ARG 35.A N PRO 31.A O no hydrogen 3.182 N/A ARG 35.A NE GLN 30.A O no hydrogen 3.131 N/A LEU 36.A N LEU 32.A O no hydrogen 2.816 N/A ILE 37.A N GLU 33.A O no hydrogen 3.460 N/A ASN 38.A N GLU 34.A O no hydrogen 3.292 N/A ASN 38.A ND2 ASP 210.A O no hydrogen 2.996 N/A ASN 38.A ND2 THR 212.A O no hydrogen 3.463 N/A LYS 39.A N LEU 36.A O no hydrogen 3.047 N/A LYS 39.A NZ ASP 210.A OD2 no hydrogen 2.780 N/A PHE 40.A N ILE 37.A O no hydrogen 3.200 N/A ASN 42.A ND2 HIS 247.A ND1 no hydrogen 3.687 N/A GLU 43.A N ASN 42.A OD1 no hydrogen 2.260 N/A ILE 51.A N GLN 75.A O no hydrogen 2.894 N/A SER 53.A OG ASP 52.A OD1 no hydrogen 2.701 N/A SER 53.A OG ASP 52.A OD2 no hydrogen 2.998 N/A ASP 58.A N ASP 56.A OD1 no hydrogen 2.954 N/A ALA 61.A N GLU 57.A O no hydrogen 3.196 N/A ALA 63.A N ARG 59.A O no hydrogen 2.925 N/A VAL 64.A N VAL 60.A O no hydrogen 3.302 N/A VAL 64.A N ALA 61.A O no hydrogen 3.353 N/A CYS 65.A SG ALA 61.A O no hydrogen 3.963 N/A ASP 66.A N ALA 63.A O no hydrogen 3.331 N/A ALA 67.A N ALA 63.A O no hydrogen 3.052 N/A ALA 68.A N VAL 64.A O no hydrogen 2.592 N/A LYS 70.A NZ ASP 66.A O no hydrogen 3.110 N/A LYS 70.A NZ ASP 66.A OD2 no hydrogen 2.731 N/A TRP 71.A N ALA 67.A O no hydrogen 2.870 N/A GLY 72.A N ALA 67.A O no hydrogen 3.056 N/A PHE 74.A N ILE 257.A O no hydrogen 2.949 N/A GLN 75.A N PRO 49.A O no hydrogen 2.983 N/A VAL 76.A N PHE 255.A O no hydrogen 2.993 N/A ILE 77.A N ILE 51.A O no hydrogen 3.399 N/A ASN 78.A ND2 ASP 52.A OD1 no hydrogen 2.607 N/A VAL 81.A N HIS 79.A ND1 no hydrogen 3.229 N/A VAL 85.A N PRO 82.A O no hydrogen 3.015 N/A ASP 88.A N GLU 84.A O no hydrogen 3.106 N/A VAL 89.A N VAL 85.A O no hydrogen 3.257 N/A LYS 90.A N LEU 86.A O no hydrogen 3.385 N/A ALA 92.A N ASP 88.A O no hydrogen 2.983 N/A THR 93.A N VAL 89.A O no hydrogen 3.014 N/A THR 93.A OG1 VAL 89.A O no hydrogen 2.820 N/A HIS 94.A N LYS 90.A O no hydrogen 3.402 N/A LYS 95.A N ALA 91.A O no hydrogen 2.811 N/A PHE 96.A N ALA 92.A O no hydrogen 3.024 N/A PHE 97.A N THR 93.A O no hydrogen 3.174 N/A ASN 98.A N HIS 94.A O no hydrogen 2.827 N/A LEU 99.A N PHE 96.A O no hydrogen 3.089 N/A GLU 102.A N GLU 102.A OE1 no hydrogen 2.461 N/A GLU 103.A N PRO 100.A O no hydrogen 3.148 N/A LYS 104.A N VAL 101.A O no hydrogen 3.081 N/A LYS 104.A NZ PHE 97.A O no hydrogen 2.576 N/A ARG 105.A N VAL 101.A O no hydrogen 3.076 N/A ARG 105.A NE GLU 102.A O no hydrogen 3.483 N/A ARG 105.A NH2 GLU 102.A O no hydrogen 3.286 N/A PHE 107.A N LYS 104.A O no hydrogen 3.486 N/A THR 108.A N ARG 105.A O no hydrogen 3.415 N/A THR 108.A OG1 ARG 105.A O no hydrogen 3.111 N/A THR 108.A OG1 GLU 110.A OE1 no hydrogen 2.903 N/A ASN 111.A N THR 108.A O no hydrogen 3.109 N/A ASN 111.A N THR 108.A OG1 no hydrogen 3.287 N/A ASN 111.A ND2 ARG 105.A O no hydrogen 2.618 N/A SER 112.A N THR 108.A O no hydrogen 2.698 N/A SER 112.A OG SER 114.A O no hydrogen 3.013 N/A SER 112.A OG VAL 117.A O no hydrogen 2.881 N/A SER 114.A OG THR 116.A OG1 no hydrogen 3.056 N/A SER 114.A OG GLU 146.A OE1 no hydrogen 3.513 N/A THR 116.A N SER 114.A OG no hydrogen 3.353 N/A THR 116.A OG1 SER 114.A OG no hydrogen 3.056 N/A THR 116.A OG1 GLU 146.A OE1 no hydrogen 3.017 N/A VAL 117.A N SER 114.A O no hydrogen 3.289 N/A ARG 118.A N SER 138.A O no hydrogen 3.155 N/A PHE 119.A N PHE 107.A O no hydrogen 2.344 N/A GLY 120.A N TYR 136.A O no hydrogen 3.304 N/A THR 121.A OG1 SER 122.A OG no hydrogen 3.125 N/A THR 121.A OG1 ASP 135.A OD1 no hydrogen 2.583 N/A SER 122.A N LYS 134.A O no hydrogen 3.121 N/A SER 122.A OG TYR 28.A OH no hydrogen 2.759 N/A SER 122.A OG THR 121.A OG1 no hydrogen 3.125 N/A SER 124.A OG LEU 126.A O no hydrogen 3.519 N/A SER 124.A OG GLN 129.A OE1 no hydrogen 2.903 N/A SER 124.A OG ALA 130.A O no hydrogen 3.322 N/A LEU 126.A N GLN 129.A OE1 no hydrogen 3.360 N/A LEU 131.A N GLN 27.A O no hydrogen 2.627 N/A GLU 132.A N PHE 123.A O no hydrogen 3.167 N/A TRP 133.A N VAL 213.A O no hydrogen 3.145 N/A TRP 133.A NE1 PRO 204.A O no hydrogen 3.066 N/A ASP 135.A N TYR 202.A O no hydrogen 3.202 N/A TYR 136.A N GLY 120.A O no hydrogen 3.318 N/A LEU 137.A N LEU 200.A O no hydrogen 2.974 N/A SER 138.A N ARG 118.A O no hydrogen 2.995 N/A SER 138.A OG ASN 199.A OD1 no hydrogen 2.860 N/A LEU 139.A N VAL 198.A O no hydrogen 2.731 N/A PHE 140.A N THR 116.A O no hydrogen 2.870 N/A PHE 141.A N ILE 196.A O no hydrogen 2.892 N/A GLU 146.A N SER 143.A OG no hydrogen 2.785 N/A GLU 148.A N GLU 144.A O no hydrogen 2.910 N/A GLN 149.A N ALA 145.A O no hydrogen 3.341 N/A PHE 150.A N ALA 147.A O no hydrogen 3.322 N/A TRP 151.A N ALA 147.A O no hydrogen 2.738 N/A CYS 155.A N PRO 152.A O no hydrogen 3.288 N/A CYS 155.A SG PRO 152.A O no hydrogen 3.993 N/A ARG 156.A NE ALA 147.A O no hydrogen 3.259 N/A ARG 156.A NH2 TRP 151.A O no hydrogen 3.387 N/A GLU 158.A N GLU 158.A OE1 no hydrogen 2.627 N/A THR 159.A OG1 CYS 155.A O no hydrogen 2.438 N/A LEU 160.A N ARG 156.A O no hydrogen 2.807 N/A GLU 161.A N ASN 157.A O no hydrogen 2.882 N/A TYR 162.A N GLU 158.A O no hydrogen 2.925 N/A TYR 162.A OH VAL 287.A O no hydrogen 3.234 N/A ILE 163.A N THR 159.A O no hydrogen 2.918 N/A ASN 164.A N LEU 160.A O no hydrogen 2.816 N/A LYS 165.A N GLU 161.A O no hydrogen 3.068 N/A SER 166.A N TYR 162.A O no hydrogen 3.261 N/A SER 166.A OG TYR 162.A O no hydrogen 2.296 N/A LYS 167.A N ILE 163.A O no hydrogen 3.022 N/A ARG 170.A N LYS 167.A O no hydrogen 3.157 N/A ARG 171.A N LYS 168.A O no hydrogen 3.119 N/A LEU 173.A N VAL 169.A O no hydrogen 3.006 N/A GLU 174.A N ARG 170.A O no hydrogen 3.095 N/A TYR 175.A N ARG 171.A O no hydrogen 2.977 N/A TYR 175.A OH GLU 57.A OE2 no hydrogen 2.968 N/A GLY 177.A N LEU 173.A O no hydrogen 3.034 N/A LYS 178.A N TYR 175.A O no hydrogen 2.764 N/A LYS 178.A NZ TYR 269.A OH no hydrogen 2.137 N/A ASN 181.A N LYS 178.A O no hydrogen 3.242 N/A VAL 182.A N GLY 177.A O no hydrogen 2.936 N/A LEU 185.A N GLU 174.A OE2 no hydrogen 3.051 N/A LYS 189.A NZ GLU 304.A OE2 no hydrogen 2.503 N/A SER 191.A N THR 188.A O no hydrogen 3.217 N/A SER 191.A OG GLU 187.A O no hydrogen 3.442 N/A LEU 192.A N LYS 189.A O no hydrogen 3.046 N/A PHE 193.A N LYS 189.A O no hydrogen 2.896 N/A SER 195.A N ASN 292.A O no hydrogen 2.988 N/A SER 195.A OG PRO 293.A O no hydrogen 2.304 N/A ARG 197.A N PHE 290.A O no hydrogen 3.054 N/A ARG 197.A NE SER 138.A OG no hydrogen 2.517 N/A ARG 197.A NH2 SER 138.A OG no hydrogen 3.168 N/A VAL 198.A N LEU 139.A O no hydrogen 2.818 N/A ASN 199.A N PRO 288.A O no hydrogen 3.091 N/A LEU 200.A N LEU 137.A O no hydrogen 2.857 N/A ASN 201.A N SER 286.A O no hydrogen 2.758 N/A TYR 202.A N ASP 135.A O no hydrogen 3.059 N/A TYR 203.A N ARG 284.A O no hydrogen 2.494 N/A ILE 205.A N ASN 283.A OD1 no hydrogen 3.168 N/A CYS 206.A N ASN 279.A O no hydrogen 3.039 N/A LEU 211.A N ASN 208.A O no hydrogen 3.148 N/A THR 212.A OG1 TYR 28.A O no hydrogen 2.937 N/A THR 212.A OG1 VAL 213.A O no hydrogen 3.345 N/A GLY 214.A N VAL 276.A O no hydrogen 2.532 N/A VAL 215.A N VAL 276.A O no hydrogen 3.241 N/A ARG 217.A N GLU 34.A OE2 no hydrogen 2.811 N/A HIS 218.A N HIS 274.A O no hydrogen 3.389 N/A HIS 218.A ND1 GLY 216.A O no hydrogen 3.086 N/A SER 219.A OG SER 271.A O no hydrogen 3.226 N/A SER 222.A OG THR 225.A OG1 no hydrogen 3.251 N/A SER 223.A N VAL 291.A O no hydrogen 2.648 N/A LEU 224.A N VAL 291.A O no hydrogen 3.269 N/A THR 225.A OG1 ASP 220.A OD2 no hydrogen 2.972 N/A THR 225.A OG1 SER 222.A OG no hydrogen 3.251 N/A THR 225.A OG1 ASN 258.A OD1 no hydrogen 3.259 N/A LEU 227.A N VAL 256.A O no hydrogen 2.410 N/A LEU 228.A N VAL 287.A O no hydrogen 3.417 N/A GLY 233.A N ASP 230.A OD1 no hydrogen 3.263 N/A HIS 236.A N ARG 275.A O no hydrogen 3.185 N/A VAL 237.A N VAL 246.A O no hydrogen 2.780 N/A ARG 238.A N GLU 273.A O no hydrogen 3.244 N/A SER 239.A N ASN 244.A O no hydrogen 2.711 N/A SER 239.A OG GLU 46.A OE2 no hydrogen 3.368 N/A SER 239.A OG SER 242.A OG no hydrogen 3.383 N/A ALA 241.A N SER 239.A OG no hydrogen 2.910 N/A SER 242.A N SER 239.A OG no hydrogen 3.172 N/A SER 242.A OG GLU 46.A OE1 no hydrogen 2.805 N/A SER 242.A OG GLU 46.A OE2 no hydrogen 3.471 N/A SER 242.A OG SER 239.A OG no hydrogen 3.383 N/A SER 242.A OG ASN 244.A OD1 no hydrogen 3.463 N/A ASN 244.A N SER 242.A OG no hydrogen 3.259 N/A VAL 246.A N VAL 237.A O no hydrogen 2.578 N/A VAL 248.A N LEU 235.A O no hydrogen 2.846 N/A SER 254.A OG VAL 76.A O no hydrogen 3.304 N/A SER 254.A OG PHE 255.A O no hydrogen 3.345 N/A PHE 255.A N VAL 76.A O no hydrogen 3.164 N/A VAL 256.A N LEU 227.A O no hydrogen 2.817 N/A ILE 257.A N PHE 74.A O no hydrogen 2.916 N/A ASN 258.A ND2 ASP 220.A OD2 no hydrogen 3.294 N/A GLY 260.A N SER 223.A O no hydrogen 2.935 N/A ASP 261.A N ASP 220.A O no hydrogen 2.963 N/A ALA 262.A N SER 222.A O no hydrogen 3.046 N/A ILE 264.A N ASP 261.A O no hydrogen 2.826 N/A SER 265.A OG GLN 263.A O no hydrogen 3.028 N/A ASN 266.A N ILE 264.A O no hydrogen 2.989 N/A ASN 266.A ND2 GLU 311.A O no hydrogen 3.185 N/A GLY 267.A N GLN 263.A O no hydrogen 2.829 N/A LEU 268.A N SER 265.A O no hydrogen 3.191 N/A TYR 269.A N SER 265.A OG no hydrogen 3.132 N/A TYR 269.A OH LEU 176.A O no hydrogen 2.406 N/A LYS 270.A NZ GLY 267.A O no hydrogen 3.282 N/A LYS 270.A NZ LEU 268.A O no hydrogen 2.825 N/A SER 271.A N GLN 263.A OE1 no hydrogen 2.519 N/A SER 271.A OG ASP 220.A O no hydrogen 3.162 N/A SER 271.A OG ASP 261.A OD1 no hydrogen 2.899 N/A HIS 274.A N HIS 218.A O no hydrogen 2.944 N/A HIS 274.A ND1 VAL 272.A O no hydrogen 3.079 N/A ARG 275.A N HIS 236.A O no hydrogen 2.763 N/A ARG 275.A NE GLU 34.A OE1 no hydrogen 2.621 N/A ARG 275.A NH1 ASN 38.A OD1 no hydrogen 3.261 N/A ARG 275.A NH1 HIS 236.A ND1 no hydrogen 3.213 N/A ARG 275.A NH2 GLU 34.A OE1 no hydrogen 2.946 N/A ARG 275.A NH2 ASN 38.A OD1 no hydrogen 2.451 N/A VAL 276.A N VAL 215.A O no hydrogen 3.042 N/A LEU 277.A N GLY 234.A O no hydrogen 3.090 N/A TYR 281.A N ASN 279.A OD1 no hydrogen 2.798 N/A ASN 282.A N ASN 279.A OD1 no hydrogen 2.336 N/A ARG 284.A N TYR 203.A O no hydrogen 2.635 N/A ARG 284.A NH1 LEU 277.A O no hydrogen 3.517 N/A ARG 284.A NH2 LEU 277.A O no hydrogen 2.416 N/A SER 286.A N ASN 201.A O no hydrogen 3.041 N/A VAL 287.A N LEU 228.A O no hydrogen 2.968 N/A ILE 289.A N ILE 226.A O no hydrogen 3.096 N/A PHE 290.A N ARG 197.A O no hydrogen 2.456 N/A VAL 291.A N LEU 224.A O no hydrogen 3.047 N/A ASN 292.A N SER 195.A O no hydrogen 2.898 N/A LYS 294.A N SER 191.A O no hydrogen 2.896 N/A LYS 294.A N SER 297.A OG no hydrogen 3.112 N/A LYS 294.A NZ GLY 194.A O no hydrogen 3.437 N/A GLU 296.A N GLU 296.A OE1 no hydrogen 2.485 N/A SER 297.A N LYS 294.A O no hydrogen 2.985 N/A SER 297.A OG SER 191.A O no hydrogen 3.100 N/A ILE 299.A N VAL 317.A O no hydrogen 3.164 N/A GLU 304.A N GLU 304.A OE1 no hydrogen 2.475 N/A VAL 305.A N LEU 302.A O no hydrogen 2.949 N/A ILE 306.A N PRO 303.A O no hydrogen 3.321 N/A GLU 310.A N GLU 310.A OE1 no hydrogen 2.520 N/A ILE 313.A N ASN 266.A OD1 no hydrogen 2.880 N/A VAL 317.A N ILE 299.A O no hydrogen 2.980 N/A TYR 319.A N SER 297.A O no hydrogen 3.057 N/A TYR 319.A OH VAL 221.A O no hydrogen 2.746 N/A TYR 319.A OH ASN 292.A OD1 no hydrogen 3.275 N/A SER 320.A N PRO 295.A O no hydrogen 2.925 N/A TYR 322.A N LEU 318.A O no hydrogen 3.057 N/A TYR 322.A N TYR 319.A O no hydrogen 3.152 N/A TYR 322.A OH ASP 261.A OD2 no hydrogen 2.867 N/A VAL 323.A N TYR 319.A O no hydrogen 3.126 N/A LYS 324.A N SER 320.A O no hydrogen 3.079 N/A