Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rrn_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N PHE 1.A O no hydrogen 2.965 N/A LYS 6.A N ASP 2.A O no hydrogen 3.000 N/A MET 7.A N LYS 3.A O no hydrogen 3.011 N/A PHE 8.A N ILE 4.A O no hydrogen 2.999 N/A TRP 9.A N SER 5.A O no hydrogen 3.009 N/A HIS 10.A N LYS 6.A O no hydrogen 2.996 N/A TYR 11.A N MET 7.A O no hydrogen 3.041 N/A LYS 12.A N PHE 8.A O no hydrogen 2.987 N/A ASP 13.A N TRP 9.A O no hydrogen 3.006 N/A LYS 14.A N HIS 10.A O no hydrogen 2.998 N/A ILE 15.A N TYR 11.A O no hydrogen 2.995 N/A ALA 16.A N LYS 12.A O no hydrogen 3.033 N/A GLN 17.A N ASP 13.A O no hydrogen 2.997 N/A ILE 18.A N LYS 14.A O no hydrogen 2.995 N/A LYS 19.A N ILE 15.A O no hydrogen 3.017 N/A GLN 20.A N ALA 16.A O no hydrogen 3.013 N/A ASP 21.A N GLN 17.A O no hydrogen 2.990 N/A ILE 22.A N ILE 18.A O no hydrogen 2.908 N/A VAL 23.A N ILE 18.A O no hydrogen 3.251 N/A LEU 24.A N LYS 19.A O no hydrogen 3.153 N/A ILE 26.A N ILE 22.A O no hydrogen 3.426 N/A LYS 27.A N VAL 23.A O no hydrogen 3.013 N/A LYS 28.A N PRO 25.A O no hydrogen 3.069 N/A ALA 29.A N ILE 26.A O no hydrogen 2.818 N/A ARG 34.A N ASP 30.A O no hydrogen 3.017 N/A ASN 35.A N VAL 31.A O no hydrogen 3.001 N/A LEU 36.A N ASN 32.A O no hydrogen 3.001 N/A LEU 37.A N VAL 33.A O no hydrogen 3.020 N/A SER 38.A N ARG 34.A O no hydrogen 2.987 N/A SER 38.A N ASN 35.A O no hydrogen 3.057 N/A SER 38.A OG ARG 34.A O no hydrogen 3.050 N/A ARG 39.A N ASN 35.A O no hydrogen 3.008 N/A HIS 40.A N LEU 36.A O no hydrogen 3.010 N/A HIS 40.A NE2 LEU 68.A O no hydrogen 2.699 N/A LYS 41.A N LEU 37.A O no hydrogen 2.993 N/A ARG 42.A N SER 38.A O no hydrogen 3.006 N/A LYS 43.A N HIS 40.A O no hydrogen 2.798 N/A ILE 44.A N LYS 41.A O no hydrogen 3.226 N/A ASN 45.A N LYS 41.A O no hydrogen 2.983 N/A LYS 47.A N ILE 44.A O no hydrogen 3.270 N/A PHE 48.A N ASN 45.A O no hydrogen 3.346 N/A GLY 49.A N PRO 46.A O no hydrogen 2.945 N/A GLN 50.A N LYS 47.A O no hydrogen 3.215 N/A SER 54.A N THR 52.A OG1 no hydrogen 3.274 N/A SER 54.A OG PRO 293.A O no hydrogen 2.896 N/A SER 54.A OG PRO 293.A OXT no hydrogen 3.358 N/A ASN 55.A N SER 292.A O no hydrogen 2.867 N/A GLN 56.A N PRO 293.A OXT no hydrogen 2.881 N/A GLN 57.A NE2 GLN 50.A O no hydrogen 3.035 N/A LEU 58.A N SER 54.A O no hydrogen 3.169 N/A PHE 59.A N ASN 55.A O no hydrogen 2.990 N/A LYS 60.A N GLN 56.A O no hydrogen 3.007 N/A ILE 61.A N GLN 57.A O no hydrogen 3.012 N/A GLN 62.A N LEU 58.A O no hydrogen 2.987 N/A ASN 63.A N PHE 59.A O no hydrogen 2.998 N/A GLU 64.A N LYS 60.A O no hydrogen 3.025 N/A LEU 65.A N ILE 61.A O no hydrogen 2.996 N/A THR 66.A N GLN 62.A O no hydrogen 2.999 N/A THR 66.A OG1 GLN 62.A O no hydrogen 2.691 N/A THR 66.A OG1 TYR 114.A OH no hydrogen 3.345 N/A GLN 67.A N ASN 63.A O no hydrogen 3.012 N/A LEU 68.A N GLU 64.A O no hydrogen 3.027 N/A ILE 69.A N LEU 65.A O no hydrogen 2.990 N/A ASN 70.A N THR 66.A O no hydrogen 2.997 N/A ASP 71.A N GLN 67.A O no hydrogen 3.016 N/A ASP 71.A N LEU 68.A O no hydrogen 3.301 N/A THR 72.A N ILE 69.A O no hydrogen 2.984 N/A THR 72.A OG1 ILE 69.A O no hydrogen 2.649 N/A LYS 73.A N ASN 70.A O no hydrogen 3.121 N/A LYS 73.A NZ TYR 79.A OH no hydrogen 3.400 N/A ASP 75.A N THR 72.A O no hydrogen 3.154 N/A TYR 79.A N ASP 75.A O no hydrogen 2.861 N/A TYR 79.A OH GLU 121.A OE1 no hydrogen 2.704 N/A HIS 80.A N SER 76.A O no hydrogen 2.996 N/A HIS 80.A ND1 SER 76.A O no hydrogen 2.899 N/A TRP 81.A N LEU 77.A O no hydrogen 2.994 N/A ILE 82.A N ALA 78.A O no hydrogen 3.011 N/A LEU 83.A N TYR 79.A O no hydrogen 3.011 N/A ASN 84.A N HIS 80.A O no hydrogen 3.002 N/A PHE 85.A N TRP 81.A O no hydrogen 3.015 N/A ILE 86.A N ILE 82.A O no hydrogen 2.995 N/A ALA 87.A N LEU 83.A O no hydrogen 3.001 N/A LYS 88.A N ASN 84.A O no hydrogen 3.019 N/A ALA 89.A N PHE 85.A O no hydrogen 2.986 N/A VAL 90.A N ILE 86.A O no hydrogen 2.987 N/A VAL 91.A N ALA 87.A O no hydrogen 3.026 N/A ARG 92.A N LYS 88.A O no hydrogen 3.006 N/A GLN 93.A N ALA 89.A O no hydrogen 2.994 N/A ALA 94.A N VAL 90.A O no hydrogen 3.011 N/A GLU 95.A N VAL 91.A O no hydrogen 3.010 N/A THR 96.A N ARG 92.A O no hydrogen 3.010 N/A THR 96.A OG1 ARG 92.A O no hydrogen 3.068 N/A THR 96.A OG1 GLN 93.A O no hydrogen 3.494 N/A GLU 97.A N GLN 93.A O no hydrogen 2.988 N/A VAL 98.A N GLN 93.A O no hydrogen 3.188 N/A ARG 99.A NE GLU 171.A OE1 no hydrogen 2.792 N/A ARG 99.A NH1 GLU 171.A OE1 no hydrogen 3.250 N/A LYS 101.A N GLU 97.A O no hydrogen 2.964 N/A SER 104.A N LYS 101.A O no hydrogen 2.997 N/A ALA 105.A N PRO 102.A O no hydrogen 3.000 N/A LEU 106.A N GLU 103.A O no hydrogen 3.010 N/A LEU 108.A N SER 104.A O no hydrogen 3.416 N/A GLY 109.A N ALA 105.A O no hydrogen 2.655 N/A LYS 110.A N LEU 106.A O no hydrogen 3.040 N/A LEU 111.A N PRO 107.A O no hydrogen 3.055 N/A THR 112.A N LEU 108.A O no hydrogen 2.936 N/A THR 112.A OG1 LEU 108.A O no hydrogen 2.677 N/A LEU 113.A N GLY 109.A O no hydrogen 2.714 N/A TYR 114.A N LYS 110.A O no hydrogen 2.810 N/A TYR 114.A OH THR 66.A OG1 no hydrogen 3.345 N/A LEU 115.A N LEU 111.A O no hydrogen 3.027 N/A LEU 116.A N THR 112.A O no hydrogen 2.825 N/A VAL 117.A N LEU 113.A O no hydrogen 3.123 N/A GLN 118.A N TYR 114.A O no hydrogen 3.027 N/A PHE 119.A N LEU 115.A O no hydrogen 2.753 N/A LEU 122.A N PHE 119.A O no hydrogen 2.801 N/A GLN 123.A N PRO 120.A O no hydrogen 3.004 N/A GLN 123.A NE2 LEU 116.A O no hydrogen 2.971 N/A PHE 126.A N LEU 122.A O no hydrogen 2.888 N/A MET 127.A N GLN 123.A O no hydrogen 2.976 N/A ALA 128.A N GLU 124.A O no hydrogen 2.916 N/A ARG 129.A N LEU 125.A O no hydrogen 2.934 N/A ARG 129.A NH2 ASN 84.A OD1 no hydrogen 2.960 N/A LEU 130.A N PHE 126.A O no hydrogen 2.978 N/A VAL 131.A N MET 127.A O no hydrogen 3.026 N/A LYS 132.A N ALA 128.A O no hydrogen 2.880 N/A LYS 133.A N ARG 129.A O no hydrogen 3.055 N/A LYS 133.A NZ GLU 95.A OE1 no hydrogen 3.024 N/A LYS 133.A NZ GLU 95.A OE2 no hydrogen 3.188 N/A CYS 134.A N LEU 130.A O no hydrogen 2.681 N/A VAL 137.A N CYS 134.A O no hydrogen 3.071 N/A ILE 138.A N PRO 135.A O no hydrogen 3.005 N/A GLY 139.A N PHE 136.A O no hydrogen 3.309 N/A PHE 140.A N PRO 135.A O no hydrogen 3.370 N/A THR 141.A OG1 PHE 140.A O no hydrogen 2.649 N/A THR 141.A OG1 HIS 224.A NE2 no hydrogen 3.007 N/A CYS 142.A SG GLU 143.A O no hydrogen 3.665 N/A CYS 142.A SG GLY 149.A O no hydrogen 3.621 N/A ASP 145.A N GLU 143.A OE2 no hydrogen 2.849 N/A THR 146.A N GLU 143.A OE2 no hydrogen 3.114 N/A THR 146.A OG1 GLU 143.A OE1 no hydrogen 2.778 N/A THR 146.A OG1 GLU 143.A OE2 no hydrogen 3.347 N/A GLY 149.A N THR 146.A OG1 no hydrogen 3.185 N/A ARG 150.A N THR 146.A O no hydrogen 3.208 N/A ARG 150.A NE ILE 144.A O no hydrogen 2.904 N/A GLN 151.A N GLU 147.A O no hydrogen 2.993 N/A ASN 152.A N LYS 148.A O no hydrogen 3.009 N/A MET 153.A N GLY 149.A O no hydrogen 3.006 N/A MET 153.A N ARG 150.A O no hydrogen 2.809 N/A GLY 154.A N GLN 151.A O no hydrogen 3.374 N/A TRP 155.A N ARG 150.A O no hydrogen 3.027 N/A LYS 156.A NZ GLU 95.A OE1 no hydrogen 3.344 N/A LYS 156.A NZ GLU 95.A OE2 no hydrogen 3.260 N/A ARG 157.A NH1 GLU 147.A OE1 no hydrogen 3.469 N/A ASN 158.A N LYS 162.A O no hydrogen 2.900 N/A ASN 161.A N ASN 158.A O no hydrogen 2.835 N/A GLU 164.A N LYS 156.A O no hydrogen 3.250 N/A TYR 169.A N ASP 165.A O no hydrogen 3.040 N/A TYR 169.A OH MET 153.A O no hydrogen 2.768 N/A ASP 170.A N ASN 166.A O no hydrogen 2.994 N/A GLU 171.A N THR 167.A O no hydrogen 2.999 N/A ARG 172.A N SER 168.A O no hydrogen 2.997 N/A ARG 172.A NE GLU 164.A OE1 no hydrogen 3.388 N/A ARG 172.A NE GLU 164.A OE2 no hydrogen 3.292 N/A ARG 172.A NH2 GLY 154.A O no hydrogen 2.966 N/A ARG 172.A NH2 GLU 164.A OE1 no hydrogen 3.497 N/A ARG 172.A NH2 GLU 164.A OE2 no hydrogen 3.115 N/A MET 173.A N TYR 169.A O no hydrogen 2.999 N/A GLY 174.A N ASP 170.A O no hydrogen 2.991 N/A GLY 175.A N GLU 171.A O no hydrogen 2.999 N/A ILE 176.A N ARG 172.A O no hydrogen 3.020 N/A LEU 177.A N MET 173.A O no hydrogen 2.993 N/A SER 178.A N GLY 174.A O no hydrogen 2.999 N/A SER 178.A OG GLY 174.A O no hydrogen 2.672 N/A LEU 179.A N GLY 175.A O no hydrogen 3.019 N/A PHE 180.A N ILE 176.A O no hydrogen 3.016 N/A ALA 181.A N LEU 177.A O no hydrogen 2.992 N/A ILE 182.A N SER 178.A O no hydrogen 3.008 N/A ILE 183.A N LEU 179.A O no hydrogen 3.013 N/A THR 184.A N PHE 180.A O no hydrogen 3.014 N/A THR 184.A OG1 ALA 181.A O no hydrogen 2.547 N/A THR 184.A OG1 SER 205.A OG no hydrogen 2.854 N/A ARG 185.A N ALA 181.A O no hydrogen 3.005 N/A LEU 186.A N ILE 182.A O no hydrogen 2.899 N/A LEU 186.A N ILE 183.A O no hydrogen 3.231 N/A GLU 191.A N GLU 191.A OE1 no hydrogen 2.629 N/A ILE 193.A N PRO 189.A O no hydrogen 2.699 N/A ILE 193.A N GLN 190.A O no hydrogen 3.246 N/A THR 194.A N GLN 190.A O no hydrogen 3.029 N/A THR 195.A OG1 GLU 191.A O no hydrogen 3.230 N/A THR 196.A N PHE 192.A O no hydrogen 2.742 N/A HIS 198.A NE2 LEU 186.A O no hydrogen 2.970 N/A LEU 204.A N PRO 201.A O no hydrogen 3.264 N/A TRP 206.A N ILE 202.A O no hydrogen 3.047 N/A HIS 207.A N ALA 203.A O no hydrogen 3.005 N/A ILE 208.A N LEU 204.A O no hydrogen 3.005 N/A LEU 209.A N SER 205.A O no hydrogen 3.043 N/A ALA 210.A N TRP 206.A O no hydrogen 3.006 N/A ARG 211.A N HIS 207.A O no hydrogen 2.984 N/A ARG 211.A NH1 ILE 138.A O no hydrogen 2.807 N/A ILE 212.A N ILE 208.A O no hydrogen 3.023 N/A CYS 213.A N LEU 209.A O no hydrogen 3.015 N/A CYS 213.A SG LEU 209.A O no hydrogen 3.153 N/A ASN 214.A N ALA 210.A O no hydrogen 3.008 N/A ASN 214.A N ARG 211.A O no hydrogen 2.967 N/A THR 215.A N ARG 211.A O no hydrogen 2.890 N/A THR 215.A OG1 ILE 212.A O no hydrogen 2.744 N/A ILE 220.A N LEU 217.A O no hydrogen 3.256 N/A THR 221.A N HIS 224.A ND1 no hydrogen 3.119 N/A THR 221.A OG1 HIS 224.A ND1 no hydrogen 3.377 N/A THR 223.A OG1 ASP 170.A OD1 no hydrogen 2.768 N/A HIS 224.A N THR 221.A O no hydrogen 3.113 N/A HIS 224.A NE2 THR 141.A OG1 no hydrogen 3.007 N/A VAL 226.A N ASN 222.A O no hydrogen 3.015 N/A ILE 227.A N THR 223.A O no hydrogen 2.982 N/A LEU 228.A N HIS 224.A O no hydrogen 3.004 N/A GLY 229.A N PHE 225.A O no hydrogen 2.999 N/A GLY 229.A N VAL 226.A O no hydrogen 3.032 N/A SER 230.A N VAL 226.A O no hydrogen 3.007 N/A SER 230.A OG GLY 174.A O no hydrogen 3.499 N/A SER 230.A OG VAL 226.A O no hydrogen 3.278 N/A TRP 231.A N ILE 227.A O no hydrogen 2.988 N/A TRP 232.A N LEU 228.A O no hydrogen 2.983 N/A ASP 233.A N GLY 229.A O no hydrogen 3.025 N/A ALA 234.A N TRP 231.A O no hydrogen 3.161 N/A ALA 235.A N TRP 231.A O no hydrogen 2.988 N/A ALA 236.A N TRP 232.A O no hydrogen 3.006 N/A PHE 239.A N ALA 235.A O no hydrogen 3.006 N/A LEU 240.A N ALA 236.A O no hydrogen 3.031 N/A GLN 241.A N VAL 237.A O no hydrogen 2.992 N/A ALA 242.A N GLN 238.A O no hydrogen 3.007 N/A ALA 242.A N PHE 239.A O no hydrogen 3.049 N/A TYR 243.A N PHE 239.A O no hydrogen 3.026 N/A GLY 244.A N LEU 240.A O no hydrogen 2.813 N/A GLN 246.A N TYR 243.A O no hydrogen 3.060 N/A SER 248.A N GLY 244.A O no hydrogen 3.108 N/A SER 248.A OG GLY 244.A O no hydrogen 2.959 N/A LYS 249.A N ASN 245.A O no hydrogen 2.982 N/A LEU 250.A N GLN 246.A O no hydrogen 3.031 N/A LEU 251.A N ALA 247.A O no hydrogen 2.983 N/A ILE 252.A N SER 248.A O no hydrogen 3.006 N/A LEU 253.A N LYS 249.A O no hydrogen 2.997 N/A ILE 254.A N LEU 250.A O no hydrogen 3.011 N/A GLY 255.A N LEU 251.A O no hydrogen 2.997 N/A GLU 256.A N ILE 252.A O no hydrogen 3.107 N/A GLU 257.A N ILE 252.A O no hydrogen 3.405 N/A LEU 258.A N LEU 253.A O no hydrogen 2.938 N/A THR 259.A OG1 GLY 255.A O no hydrogen 2.882 N/A THR 259.A OG1 GLU 256.A O no hydrogen 3.004 N/A SER 260.A N GLU 256.A O no hydrogen 3.041 N/A SER 260.A OG GLU 256.A O no hydrogen 2.667 N/A ARG 261.A N GLU 257.A O no hydrogen 2.999 N/A MET 262.A N LEU 258.A O no hydrogen 2.968 N/A LYS 265.A N MET 262.A O no hydrogen 3.196 N/A LYS 266.A N ALA 263.A O no hydrogen 3.141 N/A GLY 269.A N ASN 222.A OD1 no hydrogen 3.028 N/A ALA 271.A N TYR 267.A O no hydrogen 3.015 N/A ARG 272.A N VAL 268.A O no hydrogen 3.006 N/A LEU 273.A N GLY 269.A O no hydrogen 2.995 N/A ARG 274.A N ALA 270.A O no hydrogen 2.999 N/A ARG 274.A NH2 THR 259.A OG1 no hydrogen 2.996 N/A ILE 275.A N ALA 271.A O no hydrogen 3.011 N/A LEU 276.A N ARG 272.A O no hydrogen 3.010 N/A LEU 277.A N LEU 273.A O no hydrogen 3.010 N/A GLU 278.A N ARG 274.A O no hydrogen 2.984 N/A ALA 279.A N ILE 275.A O no hydrogen 3.001 N/A TRP 280.A N LEU 276.A O no hydrogen 3.001 N/A GLN 281.A N LEU 277.A O no hydrogen 2.999 N/A ASN 282.A N GLU 278.A O no hydrogen 3.102 N/A ASN 282.A N ALA 279.A O no hydrogen 3.281 N/A ASN 283.A N TRP 280.A O no hydrogen 2.832 N/A ASN 284.A N ALA 279.A O no hydrogen 2.766 N/A SER 292.A OG ASN 53.A O no hydrogen 3.505 N/A