Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4x61_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A SG MET 4.A O no hydrogen 3.753 N/A GLU 5.A N GLU 5.A OE1 no hydrogen 2.532 N/A GLN 7.A N SER 24.A O no hydrogen 3.124 N/A GLU 9.A N GLY 22.A O no hydrogen 2.955 N/A ALA 10.A N GLY 22.A O no hydrogen 3.386 N/A ALA 11.A N ASP 276.A OD2 no hydrogen 2.886 N/A ARG 12.A N LEU 20.A O no hydrogen 3.168 N/A ARG 12.A NE ASP 276.A OD2 no hydrogen 2.870 N/A TYR 13.A N THR 278.A OG1 no hydrogen 2.913 N/A TYR 13.A OH THR 288.A OG1 no hydrogen 2.801 N/A ARG 14.A N ALA 18.A O no hydrogen 3.082 N/A ARG 14.A NE ASP 16.A OD1 no hydrogen 2.652 N/A ARG 14.A NH1 GLU 68.A O no hydrogen 3.026 N/A ARG 14.A NH1 GLU 89.A OE2 no hydrogen 2.968 N/A ARG 14.A NH2 ASP 16.A OD1 no hydrogen 3.305 N/A ARG 14.A NH2 ASP 16.A OD2 no hydrogen 2.686 N/A ARG 14.A NH2 GLU 89.A OE1 no hydrogen 3.038 N/A ARG 14.A NH2 GLU 89.A OE2 no hydrogen 3.481 N/A SER 15.A OG GLU 68.A OE2 no hydrogen 2.609 N/A GLY 17.A N ARG 14.A O no hydrogen 3.183 N/A ALA 18.A N ASP 16.A OD1 no hydrogen 3.191 N/A LEU 19.A N PHE 38.A O no hydrogen 2.870 N/A LEU 20.A N ARG 12.A O no hydrogen 2.917 N/A LEU 21.A N TRP 36.A O no hydrogen 2.931 N/A GLY 22.A N ALA 10.A O no hydrogen 2.961 N/A ALA 23.A N SER 34.A O no hydrogen 3.068 N/A SER 24.A N GLN 7.A O no hydrogen 2.706 N/A SER 24.A OG VAL 60.A O no hydrogen 2.901 N/A SER 25.A N ALA 32.A O no hydrogen 2.697 N/A SER 25.A OG SER 27.A O no hydrogen 3.120 N/A SER 25.A OG CYS 30.A O no hydrogen 2.955 N/A LEU 26.A N GLN 7.A OE1 no hydrogen 2.881 N/A SER 34.A N ALA 23.A O no hydrogen 2.976 N/A SER 34.A OG GLU 5.A OE1 no hydrogen 2.736 N/A LEU 35.A N VAL 54.A O no hydrogen 2.954 N/A TRP 36.A N LEU 21.A O no hydrogen 2.955 N/A TRP 36.A NE1 SER 34.A OG no hydrogen 2.819 N/A LEU 37.A N ALA 52.A O no hydrogen 3.020 N/A PHE 38.A N LEU 19.A O no hydrogen 2.794 N/A LYS 39.A N SER 51.A OG no hydrogen 2.980 N/A LYS 39.A NZ GLU 89.A OE1 no hydrogen 2.943 N/A CYS 42.A N ASP 40.A OD1 no hydrogen 3.320 N/A ALA 43.A N ASP 40.A O no hydrogen 3.010 N/A ALA 44.A N PRO 41.A O no hydrogen 3.421 N/A ASN 46.A N ALA 43.A O no hydrogen 2.947 N/A PHE 49.A N ASN 46.A O no hydrogen 3.076 N/A CYS 50.A SG GLU 47.A O no hydrogen 3.684 N/A CYS 50.A SG ALA 52.A O no hydrogen 3.356 N/A SER 51.A N LEU 37.A O no hydrogen 2.972 N/A ALA 52.A N LEU 37.A O no hydrogen 3.360 N/A VAL 54.A N LEU 35.A O no hydrogen 2.966 N/A THR 56.A N GLY 33.A O no hydrogen 2.835 N/A THR 56.A OG1 ALA 58.A O no hydrogen 2.636 N/A VAL 60.A N SER 24.A OG no hydrogen 2.486 N/A ALA 61.A N ALA 74.A O no hydrogen 2.891 N/A ASP 62.A N ALA 74.A O no hydrogen 3.494 N/A LEU 63.A N ASP 62.A OD1 no hydrogen 2.914 N/A THR 64.A N LEU 72.A O no hydrogen 2.962 N/A THR 64.A OG1 TRP 65.A O no hydrogen 3.185 N/A TRP 65.A NE1 ARG 12.A O no hydrogen 3.165 N/A VAL 66.A N GLY 70.A O no hydrogen 2.675 N/A ARG 69.A NE GLU 89.A OE2 no hydrogen 3.168 N/A GLY 70.A N VAL 66.A O no hydrogen 3.082 N/A ILE 71.A N TRP 83.A O no hydrogen 2.800 N/A LEU 72.A N THR 64.A O no hydrogen 2.819 N/A VAL 73.A N GLU 81.A O no hydrogen 2.744 N/A ALA 74.A N ASP 62.A O no hydrogen 2.834 N/A SER 75.A N ALA 79.A O no hydrogen 2.992 N/A SER 75.A OG SER 77.A OG no hydrogen 2.730 N/A ASP 76.A N GLY 59.A O no hydrogen 3.504 N/A SER 77.A N SER 75.A OG no hydrogen 3.059 N/A SER 77.A OG GLU 57.A OE1 no hydrogen 3.361 N/A SER 77.A OG SER 75.A OG no hydrogen 2.730 N/A GLY 78.A N SER 75.A O no hydrogen 3.436 N/A VAL 80.A N LYS 98.A O no hydrogen 3.321 N/A GLU 81.A N VAL 73.A O no hydrogen 3.013 N/A LEU 82.A N PHE 96.A O no hydrogen 2.859 N/A TRP 83.A N ILE 71.A O no hydrogen 2.767 N/A GLU 84.A N VAL 93.A O no hydrogen 2.623 N/A LEU 85.A N ARG 69.A O no hydrogen 2.730 N/A ASP 86.A N LEU 91.A O no hydrogen 3.043 N/A THR 90.A OG1 ASP 86.A OD2 no hydrogen 3.537 N/A VAL 93.A N GLU 84.A O no hydrogen 2.934 N/A LYS 95.A N LEU 82.A O no hydrogen 2.725 N/A PHE 96.A N LEU 82.A O no hydrogen 3.384 N/A CYS 97.A SG TYR 99.A OH no hydrogen 3.818 N/A LYS 98.A N VAL 80.A O no hydrogen 2.976 N/A TYR 99.A OH GLU 57.A OE1 no hydrogen 2.641 N/A TYR 99.A OH GLU 57.A OE2 no hydrogen 3.059 N/A HIS 101.A N GLY 78.A O no hydrogen 3.119 N/A HIS 101.A ND1 ASP 123.A OD2 no hydrogen 3.046 N/A HIS 101.A NE2 SER 119.A OG no hydrogen 2.949 N/A ASP 102.A N ASP 123.A OD2 no hydrogen 3.228 N/A ILE 104.A N ASP 103.A OD1 no hydrogen 2.701 N/A VAL 105.A N SER 75.A O no hydrogen 3.044 N/A SER 106.A N GLY 120.A O no hydrogen 2.961 N/A SER 106.A OG GLY 120.A O no hydrogen 3.123 N/A SER 106.A OG VAL 147.A O no hydrogen 2.793 N/A THR 107.A N GLY 120.A O no hydrogen 3.009 N/A VAL 108.A N ASP 62.A OD2 no hydrogen 3.088 N/A SER 109.A N VAL 118.A O no hydrogen 3.019 N/A LEU 111.A N GLN 116.A O no hydrogen 2.907 N/A SER 112.A OG ASP 157.A OD1 no hydrogen 3.089 N/A SER 113.A N ASP 157.A OD1 no hydrogen 2.622 N/A SER 113.A OG THR 115.A OG1 no hydrogen 2.821 N/A SER 113.A OG ASP 157.A OD1 no hydrogen 3.114 N/A SER 113.A OG ASP 157.A OD2 no hydrogen 3.091 N/A THR 115.A N SER 113.A OG no hydrogen 3.165 N/A THR 115.A OG1 SER 113.A OG no hydrogen 2.821 N/A ALA 117.A N TRP 129.A O no hydrogen 3.056 N/A VAL 118.A N SER 109.A O no hydrogen 2.889 N/A SER 119.A N LYS 127.A O no hydrogen 2.963 N/A SER 119.A OG HIS 101.A NE2 no hydrogen 2.949 N/A GLY 120.A N THR 107.A O no hydrogen 2.795 N/A SER 121.A N CYS 125.A O no hydrogen 3.381 N/A SER 121.A OG ASP 103.A O no hydrogen 3.079 N/A SER 121.A OG ILE 104.A O no hydrogen 2.937 N/A SER 121.A OG ASP 123.A OD1 no hydrogen 2.959 N/A LYS 122.A N ILE 104.A O no hydrogen 2.995 N/A LYS 122.A NZ GLN 146.A OE1 no hydrogen 3.193 N/A ASP 123.A N SER 121.A OG no hydrogen 2.971 N/A ILE 124.A N SER 121.A O no hydrogen 3.235 N/A CYS 125.A N ASP 123.A OD1 no hydrogen 3.075 N/A CYS 125.A SG ASP 123.A O no hydrogen 3.893 N/A ILE 126.A N TYR 140.A O no hydrogen 2.876 N/A LYS 127.A N SER 119.A O no hydrogen 3.034 N/A LYS 127.A NZ SER 139.A OG no hydrogen 3.332 N/A VAL 128.A N SER 138.A O no hydrogen 2.802 N/A TRP 129.A N ALA 117.A O no hydrogen 2.685 N/A TRP 129.A NE1 SER 119.A OG no hydrogen 2.964 N/A ASP 130.A N VAL 135.A O no hydrogen 3.057 N/A LEU 131.A N THR 115.A O no hydrogen 2.912 N/A GLN 133.A N ASP 130.A OD1 no hydrogen 2.781 N/A GLN 134.A NE2 LYS 95.A O no hydrogen 3.571 N/A VAL 135.A N ASP 130.A O no hydrogen 3.407 N/A LEU 137.A N VAL 128.A O no hydrogen 2.893 N/A SER 138.A OG TYR 140.A OH no hydrogen 3.392 N/A TYR 140.A N ILE 126.A O no hydrogen 2.689 N/A HIS 143.A ND1 ASP 166.A OD1 no hydrogen 3.026 N/A HIS 143.A ND1 ASP 166.A OD2 no hydrogen 3.148 N/A HIS 143.A NE2 SER 162.A OG no hydrogen 3.162 N/A ALA 144.A N ASP 166.A OD2 no hydrogen 3.013 N/A VAL 147.A N SER 121.A O no hydrogen 3.181 N/A THR 148.A N CYS 163.A O no hydrogen 2.971 N/A CYS 149.A N CYS 163.A O no hydrogen 3.367 N/A VAL 150.A N THR 107.A OG1 no hydrogen 3.102 N/A ALA 151.A N LEU 161.A O no hydrogen 2.957 N/A ALA 152.A N SER 109.A OG no hydrogen 2.974 N/A SER 153.A N VAL 159.A O no hydrogen 2.936 N/A SER 153.A OG LYS 156.A O no hydrogen 2.603 N/A SER 153.A OG VAL 159.A O no hydrogen 3.146 N/A LYS 156.A N SER 153.A OG no hydrogen 3.065 N/A LYS 156.A NZ GLU 200.A OE1 no hydrogen 3.349 N/A SER 158.A OG ASP 173.A OD1 no hydrogen 3.399 N/A VAL 159.A N LYS 156.A O no hydrogen 3.407 N/A LEU 161.A N ALA 151.A O no hydrogen 2.760 N/A SER 162.A N LEU 170.A O no hydrogen 2.979 N/A SER 162.A OG HIS 143.A NE2 no hydrogen 3.162 N/A CYS 163.A N CYS 149.A O no hydrogen 3.062 N/A CYS 163.A SG PRO 189.A O no hydrogen 3.486 N/A SER 164.A N ARG 168.A O no hydrogen 3.396 N/A SER 164.A OG ALA 145.A O no hydrogen 2.729 N/A SER 164.A OG GLN 146.A O no hydrogen 2.636 N/A GLU 165.A N GLN 146.A O no hydrogen 3.218 N/A ASP 166.A N SER 164.A OG no hydrogen 3.396 N/A ASN 167.A N SER 164.A O no hydrogen 3.050 N/A ASN 167.A ND2 GLY 186.A O no hydrogen 3.094 N/A ARG 168.A N ASP 166.A OD1 no hydrogen 3.087 N/A ARG 168.A NE GLN 182.A OE1 no hydrogen 3.087 N/A ARG 168.A NH1 ASP 166.A OD2 no hydrogen 3.285 N/A LEU 170.A N SER 162.A O no hydrogen 2.761 N/A LEU 171.A N SER 181.A O no hydrogen 2.842 N/A TRP 172.A N PHE 160.A O no hydrogen 2.775 N/A TRP 172.A NE1 SER 162.A OG no hydrogen 2.703 N/A ASP 173.A N PRO 179.A O no hydrogen 3.159 N/A THR 174.A N SER 158.A O no hydrogen 3.030 N/A ARG 175.A N ASP 173.A OD1 no hydrogen 3.420 N/A ARG 175.A NE ASP 173.A OD1 no hydrogen 2.839 N/A ARG 175.A NH2 ASP 173.A OD1 no hydrogen 3.469 N/A ARG 175.A NH2 ASP 173.A OD2 no hydrogen 3.278 N/A CYS 176.A N ASP 173.A O no hydrogen 3.127 N/A SER 181.A N LEU 171.A O no hydrogen 2.844 N/A ILE 183.A N ILE 169.A O no hydrogen 2.793 N/A LEU 188.A N GLU 207.A OE2 no hydrogen 3.274 N/A THR 190.A N GLY 205.A O no hydrogen 2.791 N/A THR 190.A OG1 GLY 205.A O no hydrogen 2.948 N/A THR 190.A OG1 VAL 232.A O no hydrogen 2.667 N/A SER 191.A N GLY 205.A O no hydrogen 3.231 N/A SER 191.A OG VAL 232.A O no hydrogen 3.159 N/A ALA 193.A N VAL 203.A O no hydrogen 3.020 N/A TRP 194.A NE1 ALA 151.A O no hydrogen 2.936 N/A HIS 195.A N VAL 201.A O no hydrogen 2.847 N/A GLN 197.A N HIS 195.A ND1 no hydrogen 3.463 N/A GLN 197.A NE2 HIS 240.A O no hydrogen 3.576 N/A GLN 197.A NE2 SER 241.A O no hydrogen 3.002 N/A GLN 198.A N HIS 195.A ND1 no hydrogen 3.325 N/A VAL 201.A N GLN 198.A O no hydrogen 2.887 N/A PHE 202.A N VAL 214.A O no hydrogen 3.075 N/A VAL 203.A N ALA 193.A O no hydrogen 2.796 N/A PHE 204.A N SER 212.A O no hydrogen 3.022 N/A GLY 205.A N SER 191.A O no hydrogen 3.044 N/A ASP 206.A N THR 210.A O no hydrogen 3.033 N/A GLU 207.A N LEU 188.A O no hydrogen 2.997 N/A ASN 208.A N ASP 206.A OD1 no hydrogen 2.982 N/A GLY 209.A N ASP 206.A O no hydrogen 3.427 N/A THR 210.A N ASP 206.A OD1 no hydrogen 2.764 N/A VAL 211.A N SER 225.A O no hydrogen 3.240 N/A SER 212.A N PHE 204.A O no hydrogen 2.864 N/A LEU 213.A N LEU 223.A O no hydrogen 2.741 N/A VAL 214.A N PHE 202.A O no hydrogen 2.857 N/A THR 216.A N GLU 200.A O no hydrogen 3.023 N/A THR 216.A OG1 GLU 200.A O no hydrogen 3.060 N/A THR 216.A OG1 GLU 200.A OE2 no hydrogen 3.252 N/A LYS 217.A N ASP 215.A OD1 no hydrogen 3.009 N/A SER 218.A N ASP 215.A OD1 no hydrogen 3.201 N/A THR 219.A N ASP 215.A O no hydrogen 2.899 N/A THR 219.A OG1 THR 216.A O no hydrogen 2.749 N/A SER 220.A OG SER 218.A O no hydrogen 3.298 N/A SER 225.A N VAL 211.A O no hydrogen 3.176 N/A HIS 228.A N GLY 209.A O no hydrogen 2.867 N/A HIS 228.A ND1 ASP 251.A OD2 no hydrogen 3.101 N/A HIS 228.A NE2 SER 247.A O no hydrogen 2.951 N/A HIS 228.A NE2 SER 247.A OG no hydrogen 2.818 N/A SER 229.A N ASP 251.A OD2 no hydrogen 3.000 N/A SER 229.A OG ASP 251.A OD2 no hydrogen 3.392 N/A CYS 231.A SG GLU 250.A OE2 no hydrogen 3.767 N/A VAL 232.A N ASP 206.A O no hydrogen 3.135 N/A THR 233.A N LEU 248.A O no hydrogen 2.728 N/A GLY 234.A N LEU 248.A O no hydrogen 3.364 N/A VAL 236.A N ALA 246.A O no hydrogen 3.088 N/A SER 238.A N PHE 244.A O no hydrogen 2.716 N/A SER 238.A OG PHE 244.A O no hydrogen 3.434 N/A HIS 240.A NE2 HIS 284.A O no hydrogen 2.742 N/A PHE 244.A N SER 238.A OG no hydrogen 2.650 N/A LEU 245.A N LEU 257.A O no hydrogen 2.887 N/A ALA 246.A N VAL 236.A O no hydrogen 2.772 N/A SER 247.A N ALA 255.A O no hydrogen 2.791 N/A SER 247.A OG HIS 228.A NE2 no hydrogen 2.818 N/A LEU 248.A N GLY 234.A O no hydrogen 3.165 N/A SER 249.A OG GLN 230.A O no hydrogen 2.786 N/A SER 249.A OG CYS 231.A O no hydrogen 2.914 N/A GLU 250.A N CYS 231.A O no hydrogen 3.174 N/A ASP 251.A N SER 249.A OG no hydrogen 3.251 N/A CYS 252.A SG GLU 250.A O no hydrogen 3.822 N/A SER 253.A OG ASP 251.A OD1 no hydrogen 2.519 N/A LEU 254.A N SER 267.A O no hydrogen 3.283 N/A ALA 255.A N SER 247.A O no hydrogen 2.973 N/A VAL 256.A N PHE 265.A O no hydrogen 3.145 N/A LEU 257.A N LEU 245.A O no hydrogen 2.880 N/A ASP 258.A N SER 262.A O no hydrogen 3.333 N/A SER 260.A N ASP 258.A OD1 no hydrogen 3.105 N/A SER 260.A OG ASP 258.A OD1 no hydrogen 2.812 N/A LEU 261.A N ASP 258.A O no hydrogen 2.926 N/A SER 262.A N ASP 258.A OD1 no hydrogen 2.787 N/A LEU 264.A N VAL 256.A O no hydrogen 2.831 N/A PHE 265.A N VAL 256.A O no hydrogen 3.485 N/A ARG 266.A NH1 VAL 227.A O no hydrogen 2.767 N/A SER 267.A N LEU 254.A O no hydrogen 3.227 N/A SER 267.A OG HIS 299.A NE2 no hydrogen 2.942 N/A HIS 270.A ND1 ASP 293.A OD1 no hydrogen 2.815 N/A HIS 270.A ND1 ASP 293.A OD2 no hydrogen 3.031 N/A HIS 270.A NE2 THR 289.A OG1 no hydrogen 3.060 N/A ARG 271.A N ASP 293.A OD2 no hydrogen 2.874 N/A PHE 273.A N ASP 272.A OD1 no hydrogen 2.791 N/A ARG 275.A N VAL 290.A O no hydrogen 2.951 N/A ARG 275.A NH1 GLU 9.A OE2 no hydrogen 2.814 N/A ALA 277.A N ASP 276.A OD1 no hydrogen 2.792 N/A THR 278.A N THR 288.A O no hydrogen 2.915 N/A TRP 279.A NE1 VAL 236.A O no hydrogen 3.285 N/A SER 280.A N LEU 286.A O no hydrogen 2.898 N/A LEU 282.A N SER 280.A OG no hydrogen 3.233 N/A ASN 283.A N SER 280.A OG no hydrogen 3.193 N/A SER 285.A N ASN 283.A OD1 no hydrogen 3.208 N/A SER 285.A OG VAL 301.A O no hydrogen 2.938 N/A LEU 286.A N ASN 283.A O no hydrogen 2.938 N/A LEU 287.A N HIS 299.A O no hydrogen 2.971 N/A THR 288.A N THR 278.A O no hydrogen 2.972 N/A THR 288.A OG1 TYR 13.A OH no hydrogen 2.801 N/A THR 288.A OG1 HIS 298.A ND1 no hydrogen 2.782 N/A THR 289.A N VAL 297.A O no hydrogen 2.947 N/A THR 289.A OG1 HIS 270.A NE2 no hydrogen 3.060 N/A GLY 291.A N GLN 295.A O no hydrogen 3.420 N/A TRP 292.A N PHE 273.A O no hydrogen 2.978 N/A TRP 292.A NE1 GLU 9.A OE1 no hydrogen 3.124 N/A HIS 294.A ND1 ARG 6.A O no hydrogen 2.867 N/A GLN 295.A N ASP 293.A OD1 no hydrogen 3.328 N/A GLN 295.A NE2 ALA 269.A O no hydrogen 2.643 N/A GLN 295.A NE2 ASP 293.A OD2 no hydrogen 2.711 N/A VAL 297.A N THR 289.A O no hydrogen 3.019 N/A HIS 298.A ND1 THR 288.A OG1 no hydrogen 2.782 N/A HIS 299.A N LEU 287.A O no hydrogen 2.702 N/A HIS 299.A ND1 LEU 287.A O no hydrogen 3.159 N/A HIS 299.A NE2 SER 267.A OG no hydrogen 2.942 N/A VAL 301.A N SER 285.A O no hydrogen 2.792 N/A