Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6roh_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 10.A N THR 7.A OG1 no hydrogen 3.249 N/A GLN 11.A N THR 7.A O no hydrogen 3.243 N/A ARG 13.A N ALA 8.A O no hydrogen 3.204 N/A ARG 13.A NH1 ASN 6.A OD1 no hydrogen 2.811 N/A ARG 13.A NH2 ASN 6.A O no hydrogen 2.828 N/A ARG 13.A NH2 ASN 6.A OD1 no hydrogen 3.230 N/A SER 25.A N SER 22.A O no hydrogen 2.994 N/A SER 25.A N SER 22.A OG no hydrogen 3.255 N/A SER 25.A OG ILE 20.A O no hydrogen 2.970 N/A VAL 26.A N SER 22.A O no hydrogen 3.104 N/A LEU 30.A N VAL 26.A O no hydrogen 3.225 N/A ILE 31.A N LEU 27.A O no hydrogen 3.135 N/A PHE 32.A N PRO 28.A O no hydrogen 3.344 N/A VAL 33.A N LEU 29.A O no hydrogen 3.169 N/A ALA 34.A N LEU 30.A O no hydrogen 3.351 N/A ILE 36.A N VAL 33.A O no hydrogen 3.367 N/A PHE 37.A N VAL 33.A O no hydrogen 3.001 N/A GLY 41.A N PHE 37.A O no hydrogen 2.582 N/A ILE 42.A N THR 38.A O no hydrogen 3.199 N/A LEU 44.A N ILE 40.A O no hydrogen 3.029 N/A VAL 46.A N ILE 42.A O no hydrogen 2.892 N/A SER 47.A OG GLY 43.A O no hydrogen 3.417 N/A SER 47.A OG LEU 44.A O no hydrogen 3.296 N/A THR 49.A N ILE 45.A O no hydrogen 3.159 N/A THR 49.A OG1 ILE 45.A O no hydrogen 3.220 N/A LYS 50.A N SER 47.A O no hydrogen 3.420 N/A ASP 53.A N HIS 81.A O no hydrogen 3.000 N/A THR 55.A N LYS 79.A O no hydrogen 2.682 N/A ILE 56.A N PHE 298.A O no hydrogen 3.067 N/A ASP 57.A N TYR 77.A O no hydrogen 2.826 N/A TYR 58.A OH ASP 181.A OD2 no hydrogen 2.912 N/A HIS 60.A ND1 TYR 77.A OH no hydrogen 2.989 N/A THR 63.A OG1 ASP 62.A OD2 no hydrogen 3.503 N/A LYS 64.A N HIS 60.A O no hydrogen 3.281 N/A LYS 64.A NZ TYR 77.A OH no hydrogen 3.499 N/A SER 66.A N GLU 71.A OE1 no hydrogen 2.419 N/A SER 66.A OG GLU 71.A OE1 no hydrogen 3.096 N/A SER 66.A OG GLU 71.A OE2 no hydrogen 2.757 N/A GLU 71.A N GLU 71.A OE2 no hydrogen 2.826 N/A ILE 73.A N PRO 90.A O no hydrogen 3.205 N/A TYR 77.A N PRO 74.A O no hydrogen 3.023 N/A ILE 78.A N LYS 75.A O no hydrogen 3.347 N/A LYS 79.A N THR 55.A O no hydrogen 2.996 N/A HIS 81.A N ASP 53.A O no hydrogen 3.114 N/A HIS 81.A ND1 ASP 53.A OD1 no hydrogen 3.008 N/A LYS 89.A NZ ASP 72.A OD2 no hydrogen 3.350 N/A GLN 91.A N GLN 107.A O no hydrogen 2.848 N/A TRP 92.A N GLU 71.A O no hydrogen 3.062 N/A TRP 92.A NE1 ASP 72.A O no hydrogen 2.920 N/A ARG 93.A N GLU 105.A O no hydrogen 3.282 N/A ARG 93.A NH1 THR 67.A O no hydrogen 3.095 N/A LEU 94.A N SER 66.A O no hydrogen 3.445 N/A THR 95.A N SER 103.A O no hydrogen 2.868 N/A THR 95.A OG1 GLU 105.A OE1 no hydrogen 2.968 N/A THR 95.A OG1 GLU 105.A OE2 no hydrogen 3.021 N/A GLU 98.A N GLU 98.A OE1 no hydrogen 2.722 N/A GLY 100.A N ASN 97.A O no hydrogen 3.275 N/A GLU 101.A N ASN 97.A OD1 no hydrogen 2.668 N/A SER 103.A OG ILE 283.A O no hydrogen 3.377 N/A CYS 104.A N ILE 283.A O no hydrogen 2.853 N/A GLU 105.A N ARG 93.A O no hydrogen 3.132 N/A LEU 106.A N MET 281.A O no hydrogen 2.818 N/A GLN 107.A N GLN 91.A O no hydrogen 2.904 N/A PHE 108.A N TYR 279.A O no hydrogen 3.136 N/A ILE 110.A N GLY 277.A O no hydrogen 3.251 N/A ASN 112.A ND2 GLN 52.A OE1 no hydrogen 3.386 N/A ILE 114.A N LEU 274.A O no hydrogen 3.258 N/A SER 117.A OG ASN 269.A O no hydrogen 3.041 N/A ILE 118.A N ASN 269.A O no hydrogen 3.507 N/A PHE 119.A N THR 301.A O no hydrogen 3.279 N/A ILE 120.A N LEU 267.A O no hydrogen 2.830 N/A TYR 121.A N VAL 299.A O no hydrogen 2.902 N/A TYR 122.A N LYS 264.A O no hydrogen 3.165 N/A ILE 124.A N PHE 262.A O no hydrogen 3.028 N/A THR 125.A N THR 295.A O no hydrogen 3.134 N/A THR 125.A OG1 THR 295.A OG1 no hydrogen 2.917 N/A ASN 126.A ND2 GLY 293.A O no hydrogen 3.395 N/A PHE 127.A N PRO 260.A O no hydrogen 3.365 N/A GLN 129.A N PHE 127.A O no hydrogen 3.074 N/A GLN 129.A NE2 TRP 253.A O no hydrogen 3.465 N/A ASN 130.A ND2 ALA 258.A O no hydrogen 2.424 N/A ARG 133.A N HIS 131.A ND1 no hydrogen 3.227 N/A TYR 134.A N HIS 131.A O no hydrogen 2.940 N/A TYR 134.A OH GLN 129.A OE1 no hydrogen 3.189 N/A TYR 134.A OH SER 177.A OG no hydrogen 2.390 N/A VAL 135.A N HIS 131.A O no hydrogen 2.958 N/A SER 137.A N TYR 134.A O no hydrogen 3.428 N/A SER 137.A OG SER 156.A O no hydrogen 3.442 N/A PHE 138.A N GLN 136.A O no hydrogen 3.149 N/A LYS 141.A N ASP 139.A OD1 no hydrogen 3.398 N/A GLN 142.A NE2 TYR 217.A OH no hydrogen 3.173 N/A ILE 143.A N ASP 139.A O no hydrogen 3.441 N/A LEU 144.A N THR 140.A O no hydrogen 3.257 N/A GLY 145.A N LYS 141.A O no hydrogen 2.955 N/A GLU 146.A N LYS 141.A O no hydrogen 2.967 N/A ILE 148.A N GLU 146.A O no hydrogen 2.767 N/A LYS 149.A NZ PRO 147.A O no hydrogen 3.566 N/A ASP 152.A N ASP 152.A OD1 no hydrogen 2.476 N/A LEU 153.A N LYS 150.A O no hydrogen 3.154 N/A ASP 154.A N ASP 139.A OD2 no hydrogen 2.660 N/A SER 156.A OG GLN 136.A O no hydrogen 2.963 N/A CYS 157.A N ASP 154.A O no hydrogen 3.314 N/A CYS 157.A SG ASP 154.A O no hydrogen 3.239 N/A ARG 161.A NH1 LYS 150.A O no hydrogen 3.398 N/A ILE 167.A N ASP 221.A O no hydrogen 3.383 N/A ILE 168.A N ARG 161.A O no hydrogen 2.967 N/A TYR 169.A N VAL 223.A O no hydrogen 3.203 N/A CYS 171.A SG GLN 142.A OE1 no hydrogen 3.620 N/A GLY 172.A N ILE 160.A O no hydrogen 3.102 N/A LEU 173.A N SER 137.A OG no hydrogen 2.996 N/A SER 177.A N LEU 173.A O no hydrogen 3.341 N/A SER 177.A OG TYR 134.A OH no hydrogen 2.390 N/A SER 177.A OG LEU 173.A O no hydrogen 3.074 N/A SER 177.A OG ILE 174.A O no hydrogen 3.466 N/A THR 182.A OG1 ASN 180.A O no hydrogen 3.396 N/A SER 184.A N ASN 282.A O no hydrogen 3.124 N/A SER 184.A OG VAL 186.A O no hydrogen 3.330 N/A SER 184.A OG ASN 282.A O no hydrogen 3.414 N/A LEU 187.A N TYR 196.A O no hydrogen 3.014 N/A SER 188.A N GLN 280.A O no hydrogen 2.982 N/A GLY 189.A N ASP 195.A OD1 no hydrogen 3.063 N/A ILE 190.A N LYS 278.A O no hydrogen 2.928 N/A THR 193.A OG1 ASP 191.A O no hydrogen 3.179 N/A TYR 196.A N LEU 187.A O no hydrogen 3.185 N/A TYR 196.A OH ALA 272.A O no hydrogen 3.007 N/A LEU 198.A N GLN 185.A O no hydrogen 3.036 N/A THR 199.A N LYS 268.A O no hydrogen 2.718 N/A ASN 200.A ND2 GLU 249.A OE2 no hydrogen 2.796 N/A LYS 201.A NZ ASN 200.A OD1 no hydrogen 3.500 N/A ILE 203.A N GLU 248.A OE1 no hydrogen 2.857 N/A SER 204.A OG GLN 251.A OE1 no hydrogen 3.473 N/A ASP 208.A N TRP 205.A O no hydrogen 3.209 N/A ARG 209.A N TRP 205.A O no hydrogen 3.352 N/A HIS 210.A ND1 SER 206.A O no hydrogen 3.005 N/A ARG 211.A N ILE 207.A O no hydrogen 3.431 N/A PHE 212.A N ASP 208.A O no hydrogen 3.084 N/A LYS 213.A N ILE 143.A O no hydrogen 3.227 N/A LYS 213.A NZ HIS 210.A O no hydrogen 3.535 N/A LYS 216.A N GLY 145.A O no hydrogen 3.101 N/A LYS 216.A NZ GLU 146.A OE1 no hydrogen 3.525 N/A TYR 217.A N THR 215.A OG1 no hydrogen 2.902 N/A TYR 217.A OH ILE 148.A O no hydrogen 2.369 N/A VAL 223.A N ILE 167.A O no hydrogen 2.742 N/A ASN 227.A N ASN 176.A OD1 no hydrogen 3.040 N/A TRP 228.A N PRO 225.A O no hydrogen 2.968 N/A LYS 231.A N TRP 228.A O no hydrogen 3.218 N/A TYR 232.A N TRP 228.A O no hydrogen 3.245 N/A THR 237.A N ASN 240.A OD1 no hydrogen 2.754 N/A THR 237.A OG1 ASN 240.A OD1 no hydrogen 2.526 N/A GLU 239.A N THR 237.A OG1 no hydrogen 3.387 N/A ASN 240.A N THR 237.A OG1 no hydrogen 3.423 N/A ASN 240.A ND2 GLY 235.A O no hydrogen 2.931 N/A HIS 245.A N ASP 243.A OD1 no hydrogen 3.382 N/A HIS 245.A ND1 PHE 212.A O no hydrogen 3.092 N/A THR 246.A N ASP 243.A O no hydrogen 3.352 N/A THR 246.A OG1 ASP 243.A O no hydrogen 3.535 N/A THR 246.A OG1 ASP 243.A OD2 no hydrogen 2.741 N/A GLU 249.A N GLU 249.A OE1 no hydrogen 2.896 N/A PHE 250.A N TRP 247.A O no hydrogen 3.249 N/A GLN 251.A NE2 ILE 244.A O no hydrogen 2.765 N/A GLN 251.A NE2 HIS 245.A O no hydrogen 3.152 N/A MET 254.A N PHE 250.A O no hydrogen 3.332 N/A ARG 255.A NE ASP 208.A OD2 no hydrogen 3.322 N/A ARG 255.A NH2 ASP 208.A OD2 no hydrogen 3.337 N/A PHE 262.A N ILE 124.A O no hydrogen 3.083 N/A LYS 264.A N TYR 122.A O no hydrogen 3.166 N/A LYS 264.A NZ VAL 252.A O no hydrogen 3.189 N/A THR 266.A N ILE 120.A O no hydrogen 2.894 N/A THR 266.A OG1 ILE 120.A O no hydrogen 2.729 N/A LEU 267.A N ILE 120.A O no hydrogen 3.397 N/A LYS 268.A N THR 199.A O no hydrogen 2.859 N/A LYS 268.A NZ HIS 202.A O no hydrogen 3.287 N/A ASN 269.A N ILE 118.A O no hydrogen 3.143 N/A ASN 269.A ND2 ASN 197.A O no hydrogen 2.756 N/A ALA 272.A N ASN 269.A OD1 no hydrogen 3.263 N/A LYS 276.A N ASP 113.A OD1 no hydrogen 3.296 N/A TYR 279.A N PHE 108.A O no hydrogen 3.043 N/A TYR 279.A OH PRO 275.A O no hydrogen 2.954 N/A GLN 280.A NE2 ASN 282.A OD1 no hydrogen 2.488 N/A MET 281.A N LEU 106.A O no hydrogen 2.891 N/A ILE 283.A N CYS 104.A O no hydrogen 2.852 N/A GLU 284.A N THR 182.A O no hydrogen 3.252 N/A LEU 285.A N GLN 102.A O no hydrogen 3.446 N/A ASN 286.A N ASP 181.A OD1 no hydrogen 2.938 N/A ASN 286.A ND2 ASN 180.A O no hydrogen 2.733 N/A TYR 287.A N ASP 181.A OD1 no hydrogen 2.732 N/A TYR 287.A OH SER 177.A O no hydrogen 2.991 N/A LEU 291.A N PRO 288.A O no hydrogen 3.450 N/A GLY 293.A N ILE 289.A O no hydrogen 2.836 N/A THR 295.A N THR 125.A OG1 no hydrogen 3.072 N/A THR 295.A OG1 THR 125.A OG1 no hydrogen 2.917 N/A LYS 296.A NZ ASP 181.A OD2 no hydrogen 2.808 N/A LYS 296.A NZ TYR 287.A O no hydrogen 2.445 N/A SER 297.A N LYS 123.A O no hydrogen 2.742 N/A PHE 298.A N ILE 56.A O no hydrogen 3.040 N/A VAL 299.A N TYR 121.A O no hydrogen 2.644 N/A LEU 300.A N LEU 54.A O no hydrogen 3.121 N/A ASN 303.A ND2 GLY 307.A O no hydrogen 3.354 N/A GLY 304.A N GLY 307.A O no hydrogen 2.525 N/A ASN 310.A N GLY 308.A O no hydrogen 2.818 N/A SER 312.A OG ASN 310.A OD1 no hydrogen 3.449 N/A VAL 315.A N MET 311.A O no hydrogen 3.175 N/A LEU 316.A N SER 312.A O no hydrogen 3.062 N/A TYR 317.A N LEU 313.A O no hydrogen 3.139 N/A LEU 318.A N VAL 315.A O no hydrogen 2.893 N/A ILE 319.A N VAL 315.A O no hydrogen 2.797 N/A VAL 320.A N LEU 316.A O no hydrogen 3.454 N/A ALA 321.A N TYR 317.A O no hydrogen 3.222 N/A LEU 323.A N ILE 319.A O no hydrogen 2.922 N/A CYS 324.A N VAL 320.A O no hydrogen 2.900 N/A CYS 324.A SG VAL 320.A O no hydrogen 3.508 N/A LEU 326.A N GLY 322.A O no hydrogen 2.857 N/A PHE 327.A N LEU 323.A O no hydrogen 3.066 N/A ILE 329.A N LEU 326.A O no hydrogen 2.794 N/A ILE 330.A N LEU 326.A O no hydrogen 3.142 N/A LEU 332.A N ILE 329.A O no hydrogen 2.919 N/A