A0A3Q0KC37_SCHMA Loading...

TPR_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KC37, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,106 aa.

>A0A3Q0KC37_SCHMA|A0A3Q0KC37
MFAIDYEASFIDHKRVTVCLALLGPGSDEETFDSVFCSLVTHYSLTFVRSNGSKSEHLLGTDKRNSLSETSEVHSDIGISNFSTRQPVWLRFLKEYNPINNAWSCFQPYRATVGLLAFAWCSSHSDIELRIKDYIKQKKLLSATLISGRLFLLLRPLSNENDSLSVEEANAFISEKLREDSELLGEINCHPSEHLFASEMNILKDFGYSAGTDECSSLVDKSHASIRPPFVNHRISSLLQALTSEIYWNLKKMLAAKCPSDIKLKKKESQLSKDLTDSSDNLLMAPEENESKWNILDEVRRKALGRTNALSALSAFTDRAGSTSSISAQTDIRFIKQKRATGRFKKYLGDICLQLGDLEMAQIQYNLAIEHLKPINDTLWIAGALEGLCAVAMCQHSSDHSSNLGTTRSKFLQQRYLDDNLTDGELRKSQFQESDMLEHSTSSSLDLASSKFYHPLVISSTDCCNYALETIELYQKAELNPYLFEEFKFKVIRLLISESQKRKACEILDSLVGPSLSSFSTENPCSMKRYFTIVRLYKFMNFNRKASLALWLLLSSNRLDRVEFEHEILFNGLKIQSLSSNIAQMTETKLLNSNDDTTTNTINTTITNSNNITNNKDISYLLNENKPPVIITCRLIASPPLWCPFVVPDQSHWLIRLITTISNSSMLSTSIFNNIIKLKSMFNNTRHLNSNMNSNINSLYSSKSCLPFRLVGWCDLQLKVIFYLINEYKAKINLEDISEIPWDIGLKLIGYCFSVLDSWPEYLDKNSCISCMDDLCCLAVLRCPDQPTNLPSITLLNYSTQEDVRSRRWPRNLRVVYSPNGFCHLMNNSNEEVQTKVVEKKMLDLVEIPVHQLPLVRLINIPSLPSNLLPHTISKNGAENVVSLSRIRTVVIRSDRHQSKPPESNNNIEPSKSTDPFVYNPFQMDNSGGTKHSIIDWICEEPGYIEMIVDNKLPIDLRISDLHVELMPVNIGLSTKETSSNRVSSLTSDYESSFGGGGSTVNNECSDAPLNLIHLEAISLTVETPQSVKILPTSSLSNLDLGNVKHQTKESGFYGRLESGCLLEEAELHRQFPYSNTECFWRRVNSDVNCKLPSHTNGIKLSIGVVPTLDLLTSSTSFDDSNTCLQYRVVGITYRLVDCGGMRVCLRPSGKFLYSLSSFGESSSRGRERHPSGSSSSTFSTIRSSWNLGSEAICPNGISNISEFDNEHLLSNSLGIQFSLLPLIRLQPAMPRMCMFPGRICSAFDLHEAIDILRNESTCKHSCDVAKQLHSLGLSKFQVPDPLKWCNRVAAVLDLTIFPYETRWLPIELYIRDENRFNVSINNNNPESNYDFDGNYSIKRNLNLLHVNLKSVSSSLSLLTKLNLNATDFVQCIGLEDIRKRFPLPVENCEVPNSLPNMNSDYDEHSLPLYATHVGLIWLKFDSDKYWQIVTDRFSSDPEINELMKPTQVQPIYIELEIEYAVDATKSSPSSECNTSSSPLLFSNNQSLTRQISLGFKLELLASNLAPLKLSDLMLTFEDEPSTNEYYLPKNKQMIKLFGEKIQAESFLCGSVETDLSHTFLPQILIEPDHLLHYRLEIELEENWSNQQQSKSPVQLISPWLFHVSCEPTDNSSKRKKSLSSTELSKTVSEKTSNSSSSPVLNSCADVLDNLKSTHQIRLPLIGFSDLVFSSKMTKLINSERLKSNELGIPIPVKIEVPGSVLESNIKIFWYSRVLARWKSDCRSEKSQQYENLYLCSYFRRYGRIILSAHECQIDPKWFANETLSTSLFKPWYEYPFLNSGSTAGLLWSNNIWIDISLDPPILDYSSNFRVNSQKKLDPQSQLCLQCRQDYSIARRTTVCTQRRISSISMLLNQELLTNTNTNITNTIAKSQLNNLKIEQSPVGFRKISLPDLRVSQKSIMSINKEDLYSSSRICTYPLNPVSVSIQCGVRQSFLRNIFMENEANPTTQRKNSFLNSKDTTDSTQEFRIEHVWMGPAVYRHVQHISNDDYESTQSTLLGPLIEGMDYTFVGKASGSIGFSIPQCSPSSSLSTSSQKSETSISSIIFLRPGKFWVCGLLGILPESSILTITKDGHIPTPFHLPSAHSVETIRFSPNGIYIHVLDSHI
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.4Very low64.5Low184 Ų18448.5 Ų48.591%0.90625%0.25SC*.  088.30-148.1166.784.500107.1N97 I99M1-N97 PolarHBondContact O-ND2 3.26Å; M1-I99 WeakPolarHBondContact O-CD1 3.44Å
2F42.9Very low65.9Low63 Ų6345 Ų4528%0.27623%0.232SC..  trans-98.5140.2-170.5-56.5-88.3000108.9I4 I99 N480 Y482F2-I4 HydrophobicContact CB-CG1 4.24Å; F2-I4 PolarHBondContact O-N 3.41Å; F2-I99 HydrophobicContact CD1-CG2 3.7Å; F2-I99 HydrophobicContact CE1-CG2 4.12Å; F2-N480 WeakPolarHBondContact CD1-ND2 3.12Å; F2-N480 WeakPolarHBondContact CD2-ND2 3.08Å; F2-N480 WeakPolarHBondContact CE1-ND2 3.44Å; F2-N480 WeakPolarHBondContact CE2-ND2 3.41Å; F2-N480 WeakPolarHBondContact CG-ND2 3.39Å; F2-N480 WeakPolarHBondContact CZ-ND2 3.24Å; F2-Y482 AromaticContact CD2-CD2 3.7Å; F2-Y482 HydrophobicContact CD2-CD2 3.7Å; F2-Y482 HydrophobicContact CD2-CE2 4.27Å; F2-Y482 HydrophobicContact CE2-CD2 4.22Å
3A50.9Low67.3Low27 Ų2742.1 Ų42.122%0.22322%0.216CC..  trans-86.595167.400000108.9N97 N100A3-N97 HydrophobicContact CB-CB 3.22Å; A3-N97 PolarHBondContact N-ND2 2.98Å; A3-N100 PolarHBondContact O-ND2 2.86Å; A3-N100 PolarHBondContact O-OD1 3.31Å
4I59.9Low68.5Low19 Ų1942.1 Ų42.110%0.09721%0.214CC..  trans-82.5127.9174.9-56138.2000107F2 Y6 Y482 E486F2-I4 HydrophobicContact CB-CG1 4.24Å; F2-I4 PolarHBondContact O-N 3.41Å; I4-Y6 HydrophobicContact CB-CE1 4.07Å; I4-Y6 HydrophobicContact CB-CE2 4.13Å; I4-Y6 HydrophobicContact CD1-CE1 4.38Å; I4-Y6 WeakPolarHBondContact CD1-OH 3.43Å; I4-Y6 HydrophobicContact CG2-CD1 3.68Å; I4-Y6 HydrophobicContact CG2-CD2 4.47Å; I4-Y6 HydrophobicContact CG2-CE1 3.5Å; I4-Y6 VanDerWaalsContact CG2-CE1 3.5Å; I4-Y6 HydrophobicContact CG2-CE2 4.29Å; I4-Y6 HydrophobicContact CG2-CG 4.19Å; I4-Y6 PolarHBondContact O-N 3.1Å; I4-Y482 HydrophobicContact CD1-CD1 3.29Å; I4-Y482 HydrophobicContact CD1-CD2 4.4Å; I4-Y482 HydrophobicContact CD1-CE1 4.2Å; I4-Y482 HydrophobicContact CD1-CG 3.42Å; I4-Y482 VanDerWaalsContact CD1-CG 3.42Å; I4-Y482 HydrophobicContact CG1-CG 4.32Å; I4-E486 HydrophobicContact CG2-CB 3.85Å; I4-E486 HydrophobicContact CG2-CG 4.23Å
5D68.1Low69.6Low46 Ų4644.1 Ų44.125%0.24622%0.218CC..  trans-95.488.7172.3-163.8-31.4000108.5E7 A8 R91 E486D5-E7 PolarHBondContact O-N 2.95Å; D5-E7 VanDerWaalsContact O-N 3.11Å; D5-E7 WeakPolarHBondContact OD1-CA 3.44Å; D5-E7 PolarHBondContact OD1-N 3.38Å; D5-A8 HydrophobicContact CB-CB 4.26Å; D5-A8 VanDerWaalsContact O-CB 3.3Å; D5-A8 WeakPolarHBondContact O-CB 3.47Å; D5-A8 PolarHBondContact O-N 3.01Å; D5-A8 PolarHBondContact OD1-N 3.14Å; D5-R91 IonicContact OD1-NH2 3.06Å; D5-R91 IonicContact OD2-CZ 2.72Å; D5-R91 IonicContact OD2-NH2 2.68Å; D5-R91 PolarHBondContact OD2-NH2 3.39Å; D5-E486 WeakPolarHBondContact O-CG 3.41Å
6Y68.1Low70.6Confident11 Ų1141.4 Ų41.44%0.04321%0.205CC..THydrogen-bonded Turntrans-61.1-16.9177.4-56.8-72.4000112.3I4 F489 C525 K528 R529 T532I4-Y6 HydrophobicContact CB-CE1 4.07Å; I4-Y6 HydrophobicContact CB-CE2 4.13Å; I4-Y6 HydrophobicContact CD1-CE1 4.38Å; I4-Y6 WeakPolarHBondContact CD1-OH 3.43Å; I4-Y6 HydrophobicContact CG2-CD1 3.68Å; I4-Y6 HydrophobicContact CG2-CD2 4.47Å; I4-Y6 HydrophobicContact CG2-CE1 3.5Å; I4-Y6 VanDerWaalsContact CG2-CE1 3.5Å; I4-Y6 HydrophobicContact CG2-CE2 4.29Å; I4-Y6 HydrophobicContact CG2-CG 4.19Å; I4-Y6 PolarHBondContact O-N 3.1Å; Y6-F489 AromaticContact CD1-CD2 3.73Å; Y6-F489 HydrophobicContact CD1-CD2 3.73Å; Y6-F489 AromaticContact CD1-CE2 3.48Å; Y6-F489 HydrophobicContact CD1-CE2 3.48Å; Y6-F489 VanDerWaalsContact CD1-CE2 3.48Å; Y6-F489 HydrophobicContact CD1-CZ 4.47Å; Y6-F489 HydrophobicContact CE1-CE2 4.07Å; Y6-F489 HydrophobicContact CG-CE2 4.41Å; Y6-C525 VanDerWaalsContact CE2-O 3.29Å; Y6-C525 WeakPolarHBondContact CE2-O 3.25Å; Y6-K528 HydrophobicContact CD2-CB 4.3Å; Y6-R529 HydrophobicContact CD1-CB 4.23Å; Y6-R529 HydrophobicContact CD1-CG 4.13Å; Y6-R529 HydrophobicContact CD2-CB 3.98Å; Y6-R529 HydrophobicContact CE1-CB 3.87Å; Y6-R529 HydrophobicContact CE1-CG 3.72Å; Y6-R529 HydrophobicContact CE2-CB 3.62Å; Y6-R529 HydrophobicContact CE2-CG 4.4Å; Y6-R529 HydrophobicContact CG-CB 4.26Å; Y6-T532 WeakPolarHBondContact CB-OG1 3.31Å; Y6-T532 WeakPolarHBondContact O-CG2 3.44Å
7E69.8Low71.5Confident94 Ų9439.2 Ų39.244%0.43919%0.194SC..THydrogen-bonded Turntrans-94.67.5175.8-62.8-168.316200113.9D5 R493 R535D5-E7 PolarHBondContact O-N 2.95Å; D5-E7 VanDerWaalsContact O-N 3.11Å; D5-E7 WeakPolarHBondContact OD1-CA 3.44Å; D5-E7 PolarHBondContact OD1-N 3.38Å; E7-R493 VanDerWaalsContact CA-NH2 3.33Å; E7-R493 PolarHBondContact O-NH1 2.75Å; E7-R535 IonicContact OE1-NH1 2.74Å; E7-R535 PolarHBondContact OE1-NH1 2.98Å
8A71.4Confident72.3Confident1 Ų137.1 Ų37.11%0.00818%0.183CC..  trans-67.1145.9170.500000112.4D5 D12 E486 K490 R493D5-A8 HydrophobicContact CB-CB 4.26Å; D5-A8 VanDerWaalsContact O-CB 3.3Å; D5-A8 WeakPolarHBondContact O-CB 3.47Å; D5-A8 PolarHBondContact O-N 3.01Å; D5-A8 PolarHBondContact OD1-N 3.14Å; A8-D12 WeakPolarHBondContact CA-OD2 3.11Å; A8-E486 HydrophobicContact CB-CG 4.47Å; A8-K490 WeakPolarHBondContact O-CG 3.27Å; A8-R493 PolarHBondContact O-NH1 3.44Å
9S79.5Confident73.1Confident29 Ų2935.4 Ų35.420%0.20318%0.176CC..  trans-121.9168.8175.967.20000110.6I11 D12S9-I11 PolarHBondContact O-N 3.26Å; S9-D12 PolarHBondContact N-OD2 3.41Å; S9-D12 WeakPolarHBondContact O-CB 3.19Å; S9-D12 PolarHBondContact O-N 3.27Å; S9-D12 PolarHBondContact OG-OD2 2.79Å; S9-D12 VanDerWaalsContact OG-OD2 3.05Å
10F81.9Confident73.8Confident6 Ų633.7 Ų33.73%0.02617%0.167CC..G310 helixtrans-61.7-33.3172.8-79.7-73.6000112.6D12 H13 E386 C389 A390 M393 F487 K490 V491 L494F10-D12 PolarHBondContact O-N 3.34Å; F10-H13 WeakPolarHBondContact O-CB 3.47Å; F10-H13 PolarHBondContact O-CD2 3.07Å; F10-H13 PolarHBondContact O-N 3.4Å; F10-H13 VanDerWaalsContact O-N 3.16Å; F10-E386 HydrophobicContact CE1-CG 3.93Å; F10-C389 HydrophobicContact CD1-CB 3.8Å; F10-C389 HydrophobicContact CE1-CB 3.47Å; F10-C389 VanDerWaalsContact CE1-CB 3.47Å; F10-C389 HydrophobicContact CZ-CB 3.93Å; F10-A390 HydrophobicContact CB-CB 4.39Å; F10-A390 HydrophobicContact CD1-CB 4.28Å; F10-A390 WeakPolarHBondContact O-CB 3.3Å; F10-M393 HydrophobicContact CB-CB 4.22Å; F10-M393 HydrophobicContact CB-CG 4Å; F10-F487 AromaticContact CE1-CE2 3.96Å; F10-F487 HydrophobicContact CE1-CE2 3.96Å; F10-F487 AromaticContact CZ-CE2 3.76Å; F10-F487 HydrophobicContact CZ-CE2 3.76Å; F10-F487 HydrophobicContact CZ-CZ 4.33Å; F10-K490 HydrophobicContact CD2-CB 3.96Å; F10-K490 HydrophobicContact CE2-CB 3.7Å; F10-K490 WeakPolarHBondContact CE2-O 3.35Å; F10-K490 HydrophobicContact CZ-CB 4.08Å; F10-V491 HydrophobicContact CE2-CG2 4.36Å; F10-V491 HydrophobicContact CZ-CG2 4.13Å; F10-L494 HydrophobicContact CD2-CB 4.18Å; F10-L494 HydrophobicContact CE2-CB 4Å; F10-L494 HydrophobicContact CE2-CD2 3.99Å
11I79.3Confident74.4Confident54 Ų5432.4 Ų32.428%0.27716%0.162SC..G310 helixtrans-64.6-28.1179.5-61.9170.1000111.3S9 H13 K14 M393S9-I11 PolarHBondContact O-N 3.26Å; I11-H13 PolarHBondContact O-N 3.27Å; I11-H13 VanDerWaalsContact O-N 3.14Å; I11-K14 WeakPolarHBondContact O-CB 3.45Å; I11-K14 PolarHBondContact O-N 2.9Å; I11-K14 VanDerWaalsContact O-N 3.11Å; I11-M393 HydrophobicContact CG1-CB 4.36Å
12D81.3Confident76.6Confident6 Ų625.7 Ų25.73%0.03213%0.13CC..G310 helixtrans-65.4-17.1178.4-63.9-43.8000113.4A8 S9 F10 K14 R15 R91A8-D12 WeakPolarHBondContact CA-OD2 3.11Å; S9-D12 PolarHBondContact N-OD2 3.41Å; S9-D12 WeakPolarHBondContact O-CB 3.19Å; S9-D12 PolarHBondContact O-N 3.27Å; S9-D12 PolarHBondContact OG-OD2 2.79Å; S9-D12 VanDerWaalsContact OG-OD2 3.05Å; F10-D12 PolarHBondContact O-N 3.34Å; D12-K14 PolarHBondContact O-N 2.92Å; D12-R15 WeakPolarHBondContact O-CB 3.1Å; D12-R15 PolarHBondContact O-N 3.15Å; D12-R15 IonicContact OD1-CZ 3.45Å; D12-R15 IonicContact OD1-NE 2.81Å; D12-R15 IonicContact OD1-NH1 3.38Å; D12-R15 PolarHBondContact OD1-NH1 2.97Å; D12-R91 IonicContact OD2-CZ 3.8Å; D12-R91 IonicContact OD2-NH1 3.22Å; D12-R91 PolarHBondContact OD2-NH1 3.41Å
13H83.9Confident78.4Confident7 Ų723.1 Ų23.13%0.03212%0.119CC..G310 helixtrans-66.6-26.2174.5-73.2-118.7000113F10 I11 R15 Y109 L353 Q354 E386 A390 K490F10-H13 WeakPolarHBondContact O-CB 3.47Å; F10-H13 PolarHBondContact O-CD2 3.07Å; F10-H13 PolarHBondContact O-N 3.4Å; F10-H13 VanDerWaalsContact O-N 3.16Å; I11-H13 PolarHBondContact O-N 3.27Å; I11-H13 VanDerWaalsContact O-N 3.14Å; H13-R15 VanDerWaalsContact C-N 3.28Å; H13-Y109 HydrophobicContact CB-CD1 4.4Å; H13-Y109 AromaticContact CD2-CE1 3.99Å; H13-Y109 AromaticContact CE1-CD1 3.58Å; H13-Y109 AromaticContact CE1-CE1 3.34Å; H13-Y109 WeakPolarHBondContact CE1-CE1 3.45Å; H13-Y109 AromaticContact CG-CD1 3.62Å; H13-Y109 AromaticContact ND1-CD1 3.32Å; H13-Y109 VanDerWaalsContact ND1-CD1 3.32Å; H13-Y109 WeakPolarHBondContact ND1-CD1 3.4Å; H13-Y109 AromaticContact ND1-CE1 3.62Å; H13-Y109 AromaticContact NE2-CD1 3.99Å; H13-Y109 AromaticContact NE2-CE1 3.58Å; H13-L353 HydrophobicContact CB-CD2 3.64Å; H13-Q354 WeakPolarHBondContact O-CG 3.18Å; H13-E386 IonicContact CE1-OE1 3.27Å; H13-E386 PolarHBondContact CE1-OE1 3.04Å; H13-E386 IonicContact NE2-OE1 3.94Å; H13-E386 PolarHBondContact NE2-OE1 2.93Å; H13-E386 VanDerWaalsContact NE2-OE1 3.13Å; H13-A390 HydrophobicContact CB-CB 3.78Å; H13-K490 PolarHBondContact NE2-NZ 3.44Å; H13-K490 VanDerWaalsContact NE2-NZ 3.17Å
14K84.6Confident79.2Confident43 Ų4323 Ų2319%0.18712%0.121CC..G310 helixtrans-75.9-17.3172.5-177.5179.3-179.7-175.10112.2I11 D12 W89 L353 C394I11-K14 WeakPolarHBondContact O-CB 3.45Å; I11-K14 PolarHBondContact O-N 2.9Å; I11-K14 VanDerWaalsContact O-N 3.11Å; D12-K14 PolarHBondContact O-N 2.92Å; K14-W89 VanDerWaalsContact CE-CD1 3.49Å; K14-L353 HydrophobicContact CB-CD1 4.29Å; K14-L353 HydrophobicContact CB-CG 4.46Å; K14-C394 HydrophobicContact CD-CB 4.4Å
15R85.3Confident79.1Confident72 Ų7227.6 Ų27.627%0.27215%0.152SC..SBendtrans-90.1141-173.6-55.9-173.8172.5161.3-13.4111.2D12 H13 W89 R91D12-R15 WeakPolarHBondContact O-CB 3.1Å; D12-R15 PolarHBondContact O-N 3.15Å; D12-R15 IonicContact OD1-CZ 3.45Å; D12-R15 IonicContact OD1-NE 2.81Å; D12-R15 IonicContact OD1-NH1 3.38Å; D12-R15 PolarHBondContact OD1-NH1 2.97Å; H13-R15 VanDerWaalsContact C-N 3.28Å; R15-W89 CarbonylContact C-O 3.52Å; R15-W89 WeakPolarHBondContact CA-O 3.34Å; R15-W89 HydrophobicContact CB-CB 4.43Å; R15-W89 HydrophobicContact CG-CB 3.92Å; R15-R91 HydrophobicContact CB-CB 3.97Å
16V85.1Confident78.5Confident1 Ų128.8 Ų28.81%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-88.6125171.1178.70000108.8V88 W89 L90 R91 V113 I246 L250 Q354V16-V88 HydrophobicContact CG2-CG1 4.16Å; V16-W89 PolarHBondContact N-O 3.23Å; V16-L90 HydrophobicContact CB-CD2 4.13Å; V16-L90 CarbonylContact O-C 3.56Å; V16-L90 WeakPolarHBondContact O-CA 3.47Å; V16-R91 PolarHBondContact O-N 3.16Å; V16-V113 HydrophobicContact CG1-CB 3.91Å; V16-V113 HydrophobicContact CG1-CG1 4.37Å; V16-V113 HydrophobicContact CG1-CG2 4.28Å; V16-I246 HydrophobicContact CG1-CG2 3.92Å; V16-L250 HydrophobicContact CG2-CD1 4.42Å; V16-Q354 HydrophobicContact CG2-CB 4.38Å
17T86Confident78.2Confident4 Ų429.5 Ų29.53%0.02518%0.181CC..EExtended strand (participates in β ladder)trans-84.7125.9-176.6-60.60000111.5R91 L93 Y109 V113 G114T17-R91 CarbonylContact C-O 3.43Å; T17-R91 WeakPolarHBondContact CA-O 3.34Å; T17-L93 HydrophobicContact CG2-CD1 3.45Å; T17-L93 VanDerWaalsContact CG2-CD1 3.45Å; T17-L93 HydrophobicContact CG2-CG 4.06Å; T17-Y109 PolarHBondContact OG1-O 2.97Å; T17-V113 PolarHBondContact O-N 3.36Å; T17-G114 PolarHBondContact O-N 3.46Å
18V86.5Confident78.1Confident0 Ų028.9 Ų28.90%018%0.181CC..EExtended strand (participates in β ladder)trans-118.9123176.8-1780000108.8L90 R91 F92 L93 G114 L116V18-L90 HydrophobicContact CG2-CD2 4.13Å; V18-R91 PolarHBondContact N-O 2.96Å; V18-F92 HydrophobicContact CB-CD1 3.95Å; V18-F92 HydrophobicContact CB-CE1 4.11Å; V18-F92 HydrophobicContact CG1-CD1 4.1Å; V18-F92 HydrophobicContact CG1-CE1 4.13Å; V18-F92 WeakPolarHBondContact O-CA 3.07Å; V18-L93 PolarHBondContact O-N 3.32Å; V18-G114 CarbonylContact C-O 3.58Å; V18-G114 WeakPolarHBondContact CA-O 3.39Å; V18-L116 HydrophobicContact CG1-CB 4.41Å; V18-L116 HydrophobicContact CG1-CD1 3.58Å; V18-L116 HydrophobicContact CG1-CG 3.8Å
19C87Confident78.3Confident6 Ų635.7 Ų35.74%0.04121%0.212CC..EExtended strand (participates in β ladder)trans-84.6127.6176.8-173.80000109.6T112 G114 L115 L116 L141C19-T112 HydrophobicContact CB-CG2 3.45Å; C19-T112 VanDerWaalsContact CB-CG2 3.45Å; C19-G114 PolarHBondContact N-O 3.45Å; C19-L115 HydrophobicContact CB-CD1 4.3Å; C19-L116 PolarHBondContact O-N 3.05Å; C19-L141 HydrophobicContact CB-CD1 4.29Å
20L87.1Confident78.1Confident0 Ų042.1 Ų42.10%024%0.239CC..EExtended strand (participates in β ladder)trans-96.4117.4171.2-146.488.3000107.9F32 F36 L39 F92 L93 K94 L116 F118L20-F32 HydrophobicContact CB-CZ 4.14Å; L20-F32 HydrophobicContact CD2-CD2 4.18Å; L20-F32 HydrophobicContact CD2-CE1 4.35Å; L20-F32 HydrophobicContact CD2-CE2 3.4Å; L20-F32 HydrophobicContact CD2-CZ 3.52Å; L20-F32 HydrophobicContact CG-CE2 3.88Å; L20-F32 HydrophobicContact CG-CZ 3.96Å; L20-F36 HydrophobicContact CB-CD2 4.32Å; L20-F36 HydrophobicContact CD2-CB 3.84Å; L20-F36 HydrophobicContact CD2-CD2 3.85Å; L20-F36 HydrophobicContact CD2-CG 4.36Å; L20-L39 HydrophobicContact CD1-CD1 3.38Å; L20-L39 HydrophobicContact CD2-CD1 4.26Å; L20-L39 HydrophobicContact CG-CD1 4.5Å; L20-F92 HydrophobicContact CD1-CD1 4.43Å; L20-L93 PolarHBondContact N-O 3.45Å; L20-K94 VanDerWaalsContact O-O 3.13Å; L20-L116 CarbonylContact C-O 3.54Å; L20-L116 VanDerWaalsContact CA-O 3.31Å; L20-L116 WeakPolarHBondContact CA-O 3.06Å; L20-L116 HydrophobicContact CD1-CB 3.83Å; L20-L116 HydrophobicContact CD1-CD1 4.03Å; L20-F118 HydrophobicContact CD1-CE2 3.86Å; L20-F118 HydrophobicContact CD2-CE2 4.41Å; L20-F118 HydrophobicContact CG-CD2 4.32Å; L20-F118 HydrophobicContact CG-CE2 4.11Å
21A85.9Confident77.6Confident8 Ų843.5 Ų43.57%0.06625%0.249CC..EExtended strand (participates in β ladder)trans-115.4136.3-179.200000110.9L23 L115 L116 A117 F118A21-L23 HydrophobicContact CB-CD2 4.42Å; A21-L115 HydrophobicContact CB-CD1 4.11Å; A21-L116 PolarHBondContact N-O 3Å; A21-A117 HydrophobicContact CB-CB 4.37Å; A21-A117 CarbonylContact O-C 3.52Å; A21-A117 VanDerWaalsContact O-CA 3.28Å; A21-A117 WeakPolarHBondContact O-CA 3.48Å; A21-F118 PolarHBondContact O-N 2.96Å
22L84.2Confident77.7Confident43 Ų4341.7 Ų41.723%0.22524%0.239CC..EExtended strand (participates in β ladder)trans-102.5122.3169.9-160.360.8000109.9S27 F32 F118 W120L22-S27 WeakPolarHBondContact CD2-OG 3.44Å; L22-F32 HydrophobicContact CB-CD1 4.3Å; L22-F32 HydrophobicContact CB-CD2 4Å; L22-F32 HydrophobicContact CB-CE1 4.2Å; L22-F32 HydrophobicContact CB-CE2 3.87Å; L22-F32 HydrophobicContact CB-CG 4.19Å; L22-F32 HydrophobicContact CB-CZ 3.96Å; L22-F32 HydrophobicContact CD1-CB 3.95Å; L22-F32 HydrophobicContact CD1-CD2 3.27Å; L22-F32 HydrophobicContact CD1-CE2 3.82Å; L22-F32 HydrophobicContact CD1-CG 3.71Å; L22-F32 HydrophobicContact CD2-CB 3.72Å; L22-F32 HydrophobicContact CD2-CD1 4.07Å; L22-F32 HydrophobicContact CD2-CD2 4.2Å; L22-F32 HydrophobicContact CD2-CG 3.74Å; L22-F32 HydrophobicContact CG-CB 4.4Å; L22-F32 HydrophobicContact CG-CD2 4.02Å; L22-F32 HydrophobicContact CG-CE2 4.39Å; L22-F32 HydrophobicContact CG-CG 4.09Å; L22-F118 HydrophobicContact CD1-CB 4.03Å; L22-W120 HydrophobicContact CD1-CE3 4.12Å; L22-W120 HydrophobicContact CD1-CH2 3.82Å; L22-W120 HydrophobicContact CD1-CZ3 3.19Å; L22-W120 HydrophobicContact CD2-CZ3 4.12Å; L22-W120 HydrophobicContact CG-CZ3 3.98Å
23L80.7Confident77.7Confident8 Ų844.7 Ų44.74%0.04226%0.255CS..  trans-107.5107.6-176.2-53.2179.6000110.2A21 A117 F118 A119 R130 D133 Y134 Q137 L150A21-L23 HydrophobicContact CB-CD2 4.42Å; L23-A117 HydrophobicContact CD1-CB 3.82Å; L23-A117 HydrophobicContact CG-CB 4.21Å; L23-F118 PolarHBondContact N-O 3.43Å; L23-A119 HydrophobicContact CB-CB 3.93Å; L23-R130 WeakPolarHBondContact O-CD 3.14Å; L23-R130 PolarHBondContact O-NE 3.27Å; L23-D133 HydrophobicContact CB-CB 4.44Å; L23-D133 HydrophobicContact CD1-CB 4.33Å; L23-D133 HydrophobicContact CD2-CB 4.34Å; L23-Y134 HydrophobicContact CD1-CD2 4.34Å; L23-Q137 HydrophobicContact CD2-CG 3.85Å; L23-L150 HydrophobicContact CD1-CD1 3.8Å
24G68.1Low77.5Confident26 Ų2645.7 Ų45.727%0.26826%0.263SS..SBendtrans135.1157.9161.300000117.1S27G24-S27 PolarHBondContact O-OG 3.05Å
25P57.4Low77.2Confident115 Ų11543.8 Ų43.875%0.74726%0.255SS*.THydrogen-bonded Turntrans-75.3136.3173.629.7-34.1000111.6
26G55.6Low77.1Confident71 Ų7142.2 Ų42.273%0.73225%0.25SC*.THydrogen-bonded Turntrans76.222.2175.400000114.7
27S61Low76.9Confident25 Ų2544.9 Ų44.918%0.17527%0.268CS..  trans-68.8146.8172.348.60000111.6L22 G24 E29L22-S27 WeakPolarHBondContact CD2-OG 3.44Å; G24-S27 PolarHBondContact O-OG 3.05Å; S27-E29 VanDerWaalsContact C-N 3.33Å; S27-E29 PolarHBondContact O-N 3.48Å
28D68.4Low76.5Confident82 Ų8244.7 Ų44.744%0.43927%0.267SS..  trans-75.383-177-158.8-2.6000109.7E30 T31 F32D28-E30 PolarHBondContact O-N 2.91Å; D28-E30 VanDerWaalsContact O-N 3.16Å; D28-T31 HydrophobicContact CB-CG2 4.1Å; D28-T31 WeakPolarHBondContact CB-OG1 3.3Å; D28-T31 PolarHBondContact O-N 3.35Å; D28-T31 PolarHBondContact O-OG1 3.3Å; D28-T31 VanDerWaalsContact OD2-CG2 3.28Å; D28-T31 WeakPolarHBondContact OD2-CG2 3.26Å; D28-F32 PolarHBondContact O-N 2.89Å; D28-F32 VanDerWaalsContact O-N 3.16Å
29E75.8Confident76.3Confident143 Ų14344.9 Ų44.967%0.66827%0.268SS*.Hα-helixtrans-53.2-34.7-175.2-77.9-173.3169.800112S27 T31 F32 D33S27-E29 VanDerWaalsContact C-N 3.33Å; S27-E29 PolarHBondContact O-N 3.48Å; E29-T31 PolarHBondContact O-N 2.9Å; E29-F32 PolarHBondContact O-N 3.46Å; E29-D33 VanDerWaalsContact O-CB 3.29Å; E29-D33 WeakPolarHBondContact O-CB 3.26Å; E29-D33 VanDerWaalsContact O-CG 3.3Å; E29-D33 PolarHBondContact O-N 3Å
30E74.6Confident75.9Confident164 Ų16447.3 Ų47.377%0.76628%0.282SS*.Hα-helixtrans-61.1-42.8176.4-65.5-172.1177.600112.2D28 D33 S34D28-E30 PolarHBondContact O-N 2.91Å; D28-E30 VanDerWaalsContact O-N 3.16Å; E30-D33 PolarHBondContact O-N 3.11Å; E30-S34 PolarHBondContact O-N 3.09Å
31T72.8Confident75.1Confident36 Ų3651 Ų5122%0.22130%0.304CS..Hα-helixtrans-69.9-37.7177.565.40000111.9D28 E29 D33 S34 V35 W120D28-T31 HydrophobicContact CB-CG2 4.1Å; D28-T31 WeakPolarHBondContact CB-OG1 3.3Å; D28-T31 PolarHBondContact O-N 3.35Å; D28-T31 PolarHBondContact O-OG1 3.3Å; D28-T31 VanDerWaalsContact OD2-CG2 3.28Å; D28-T31 WeakPolarHBondContact OD2-CG2 3.26Å; E29-T31 PolarHBondContact O-N 2.9Å; T31-D33 VanDerWaalsContact C-N 3.31Å; T31-S34 WeakPolarHBondContact O-CB 3.41Å; T31-S34 PolarHBondContact O-N 3.31Å; T31-V35 WeakPolarHBondContact O-CG2 3.32Å; T31-V35 PolarHBondContact O-N 3.14Å; T31-W120 VanDerWaalsContact OG1-CH2 3.28Å; T31-W120 WeakPolarHBondContact OG1-CH2 3.38Å; T31-W120 WeakPolarHBondContact OG1-CZ2 3.33Å
32F81.4Confident74.6Confident15 Ų1553.6 Ų53.67%0.06632%0.315CS..Hα-helixtrans-64-39.7173.9-179.9-108.3000111.7L20 L22 D28 E29 S34 V35 F36 K94 F118 W120L20-F32 HydrophobicContact CB-CZ 4.14Å; L20-F32 HydrophobicContact CD2-CD2 4.18Å; L20-F32 HydrophobicContact CD2-CE1 4.35Å; L20-F32 HydrophobicContact CD2-CE2 3.4Å; L20-F32 HydrophobicContact CD2-CZ 3.52Å; L20-F32 HydrophobicContact CG-CE2 3.88Å; L20-F32 HydrophobicContact CG-CZ 3.96Å; L22-F32 HydrophobicContact CB-CD1 4.3Å; L22-F32 HydrophobicContact CB-CD2 4Å; L22-F32 HydrophobicContact CB-CE1 4.2Å; L22-F32 HydrophobicContact CB-CE2 3.87Å; L22-F32 HydrophobicContact CB-CG 4.19Å; L22-F32 HydrophobicContact CB-CZ 3.96Å; L22-F32 HydrophobicContact CD1-CB 3.95Å; L22-F32 HydrophobicContact CD1-CD2 3.27Å; L22-F32 HydrophobicContact CD1-CE2 3.82Å; L22-F32 HydrophobicContact CD1-CG 3.71Å; L22-F32 HydrophobicContact CD2-CB 3.72Å; L22-F32 HydrophobicContact CD2-CD1 4.07Å; L22-F32 HydrophobicContact CD2-CD2 4.2Å; L22-F32 HydrophobicContact CD2-CG 3.74Å; L22-F32 HydrophobicContact CG-CB 4.4Å; L22-F32 HydrophobicContact CG-CD2 4.02Å; L22-F32 HydrophobicContact CG-CE2 4.39Å; L22-F32 HydrophobicContact CG-CG 4.09Å; D28-F32 PolarHBondContact O-N 2.89Å; D28-F32 VanDerWaalsContact O-N 3.16Å; E29-F32 PolarHBondContact O-N 3.46Å; F32-S34 VanDerWaalsContact C-N 3.33Å; F32-V35 PolarHBondContact O-N 3.41Å; F32-F36 WeakPolarHBondContact O-CB 3.34Å; F32-F36 PolarHBondContact O-N 2.73Å; F32-K94 HydrophobicContact CD1-CD 4.47Å; F32-K94 HydrophobicContact CE1-CB 4.42Å; F32-K94 HydrophobicContact CE1-CD 3.96Å; F32-K94 HydrophobicContact CE1-CG 3.95Å; F32-F118 HydrophobicContact CE2-CD2 4.26Å; F32-W120 HydrophobicContact CB-CH2 4.32Å
33D81.3Confident74.3Confident69 Ų6953 Ų5337%0.36931%0.31SS..Hα-helixtrans-64.2-40.7176.2-82.318.4000111.3E29 E30 T31 F36 C37 K94E29-D33 VanDerWaalsContact O-CB 3.29Å; E29-D33 WeakPolarHBondContact O-CB 3.26Å; E29-D33 VanDerWaalsContact O-CG 3.3Å; E29-D33 PolarHBondContact O-N 3Å; E30-D33 PolarHBondContact O-N 3.11Å; T31-D33 VanDerWaalsContact C-N 3.31Å; D33-F36 PolarHBondContact O-N 3.36Å; D33-C37 VanDerWaalsContact O-CB 3.3Å; D33-C37 WeakPolarHBondContact O-CB 3.38Å; D33-C37 PolarHBondContact O-N 2.89Å; D33-C37 PolarHBondContact O-SG 3.35Å; D33-K94 WeakPolarHBondContact OD1-CE 3.43Å; D33-K94 IonicContact OD1-NZ 2.63Å; D33-K94 PolarHBondContact OD1-NZ 3.43Å; D33-K94 IonicContact OD2-NZ 2.66Å; D33-K94 PolarHBondContact OD2-NZ 3.38Å
34S78Confident74.2Confident29 Ų2954.1 Ų54.120%0.20332%0.319CS..Hα-helixtrans-61.3-45.4171.4179.10000112.4E30 T31 F32 C37 S38 F196 P229E30-S34 PolarHBondContact O-N 3.09Å; T31-S34 WeakPolarHBondContact O-CB 3.41Å; T31-S34 PolarHBondContact O-N 3.31Å; F32-S34 VanDerWaalsContact C-N 3.33Å; S34-C37 PolarHBondContact O-N 3.42Å; S34-S38 WeakPolarHBondContact O-CB 3.48Å; S34-S38 PolarHBondContact O-N 3.33Å; S34-F196 WeakPolarHBondContact OG-CZ 3.48Å; S34-P229 WeakPolarHBondContact OG-CD 3.35Å; S34-P229 WeakPolarHBondContact OG-CG 3.47Å
35V79.3Confident74.7Confident3 Ų355.8 Ų55.82%0.01832%0.321CS..Hα-helixtrans-60.7-47.6174.7172.30000111T31 F32 C37 S38 L39 F118 L195 F196T31-V35 WeakPolarHBondContact O-CG2 3.32Å; T31-V35 PolarHBondContact O-N 3.14Å; F32-V35 PolarHBondContact O-N 3.41Å; V35-C37 PolarHBondContact O-N 3.3Å; V35-S38 WeakPolarHBondContact O-CB 3.15Å; V35-S38 PolarHBondContact O-N 3.29Å; V35-L39 HydrophobicContact CG1-CD1 3.76Å; V35-L39 HydrophobicContact CG1-CG 4.24Å; V35-L39 WeakPolarHBondContact O-CB 3.22Å; V35-L39 VanDerWaalsContact O-CG 3.31Å; V35-L39 WeakPolarHBondContact O-CG 3.49Å; V35-L39 PolarHBondContact O-N 2.92Å; V35-F118 HydrophobicContact CG1-CE1 4.27Å; V35-F118 HydrophobicContact CG1-CE2 4.17Å; V35-F118 HydrophobicContact CG1-CZ 3.9Å; V35-L195 HydrophobicContact CG2-CD1 4.39Å; V35-L195 HydrophobicContact CG2-CD2 3.4Å; V35-L195 VanDerWaalsContact CG2-CD2 3.4Å; V35-L195 HydrophobicContact CG2-CG 4.02Å; V35-F196 HydrophobicContact CG2-CE1 3.93Å; V35-F196 HydrophobicContact CG2-CZ 3.64Å
36F83.9Confident75.6Confident39 Ų3950.6 Ų50.617%0.17129%0.288CS..Hα-helixtrans-60.3-47.6178.6177.3-94.4000111.4L20 F32 D33 S38 L39 V40 F92 K94L20-F36 HydrophobicContact CB-CD2 4.32Å; L20-F36 HydrophobicContact CD2-CB 3.84Å; L20-F36 HydrophobicContact CD2-CD2 3.85Å; L20-F36 HydrophobicContact CD2-CG 4.36Å; F32-F36 WeakPolarHBondContact O-CB 3.34Å; F32-F36 PolarHBondContact O-N 2.73Å; D33-F36 PolarHBondContact O-N 3.36Å; F36-S38 VanDerWaalsContact C-N 3.3Å; F36-S38 PolarHBondContact O-N 2.84Å; F36-L39 PolarHBondContact O-N 2.95Å; F36-V40 HydrophobicContact CD1-CG2 4.06Å; F36-V40 HydrophobicContact CD2-CG2 4.31Å; F36-V40 HydrophobicContact CE1-CG2 3.69Å; F36-V40 HydrophobicContact CE2-CG2 3.92Å; F36-V40 HydrophobicContact CG-CG2 4.39Å; F36-V40 HydrophobicContact CZ-CG2 3.61Å; F36-V40 WeakPolarHBondContact O-CB 3.16Å; F36-V40 VanDerWaalsContact O-CG2 3.31Å; F36-V40 WeakPolarHBondContact O-CG2 3.48Å; F36-V40 PolarHBondContact O-N 3.08Å; F36-F92 HydrophobicContact CD2-CB 4.39Å; F36-F92 HydrophobicContact CE2-CB 3.89Å; F36-K94 HydrophobicContact CB-CD 4.44Å; F36-K94 HydrophobicContact CB-CG 4.34Å; F36-K94 HydrophobicContact CD1-CD 4.21Å; F36-K94 HydrophobicContact CD1-CG 4.14Å; F36-K94 HydrophobicContact CD2-CD 4.24Å; F36-K94 HydrophobicContact CD2-CG 3.37Å; F36-K94 HydrophobicContact CE1-CG 4.25Å; F36-K94 HydrophobicContact CE2-CB 4.47Å; F36-K94 HydrophobicContact CE2-CG 3.54Å; F36-K94 HydrophobicContact CG-CD 4.04Å; F36-K94 HydrophobicContact CG-CG 3.69Å; F36-K94 HydrophobicContact CZ-CG 3.97Å
37C79.6Confident76.5Confident57 Ų5751.6 Ų51.639%0.38527%0.272SS..Hα-helixtrans-58.9-42.9176.2-750000111.1D33 S34 V35 T41 P228D33-C37 VanDerWaalsContact O-CB 3.3Å; D33-C37 WeakPolarHBondContact O-CB 3.38Å; D33-C37 PolarHBondContact O-N 2.89Å; D33-C37 PolarHBondContact O-SG 3.35Å; S34-C37 PolarHBondContact O-N 3.42Å; V35-C37 PolarHBondContact O-N 3.3Å; C37-T41 WeakPolarHBondContact O-CB 3.47Å; C37-T41 VanDerWaalsContact O-CG2 3.27Å; C37-T41 WeakPolarHBondContact O-CG2 3.19Å; C37-T41 PolarHBondContact O-N 3.15Å; C37-T41 PolarHBondContact O-OG1 2.87Å; C37-P228 HydrophobicContact CB-CB 4.13Å
38S78.2Confident77Confident0 Ų050.8 Ų50.80%027%0.266CS..Hα-helixtrans-63-43.8175.9-168.90000112.8S34 V35 F36 T41 H42 P229 V231S34-S38 WeakPolarHBondContact O-CB 3.48Å; S34-S38 PolarHBondContact O-N 3.33Å; V35-S38 WeakPolarHBondContact O-CB 3.15Å; V35-S38 PolarHBondContact O-N 3.29Å; F36-S38 VanDerWaalsContact C-N 3.3Å; F36-S38 PolarHBondContact O-N 2.84Å; S38-T41 WeakPolarHBondContact CA-OG1 3.5Å; S38-T41 PolarHBondContact O-N 3.35Å; S38-T41 PolarHBondContact O-OG1 3.39Å; S38-H42 WeakPolarHBondContact O-CB 3.37Å; S38-H42 PolarHBondContact O-N 2.95Å; S38-H42 PolarHBondContact O-ND1 3.15Å; S38-H42 PolarHBondContact OG-ND1 3.35Å; S38-P229 WeakPolarHBondContact CB-O 3.44Å; S38-P229 PolarHBondContact OG-O 3.44Å; S38-V231 WeakPolarHBondContact OG-CG2 3.3Å; S38-V231 PolarHBondContact OG-N 3.37Å
39L81.5Confident76.9Confident4 Ų453.4 Ų53.42%0.02127%0.269CS..Hα-helixtrans-64.9-44.9177.9-71.6172.9000112.1L20 V35 F36 Y43 S44 F92 V231 L239L20-L39 HydrophobicContact CD1-CD1 3.38Å; L20-L39 HydrophobicContact CD2-CD1 4.26Å; L20-L39 HydrophobicContact CG-CD1 4.5Å; V35-L39 HydrophobicContact CG1-CD1 3.76Å; V35-L39 HydrophobicContact CG1-CG 4.24Å; V35-L39 WeakPolarHBondContact O-CB 3.22Å; V35-L39 VanDerWaalsContact O-CG 3.31Å; V35-L39 WeakPolarHBondContact O-CG 3.49Å; V35-L39 PolarHBondContact O-N 2.92Å; F36-L39 PolarHBondContact O-N 2.95Å; L39-Y43 HydrophobicContact CD2-CD2 3.91Å; L39-Y43 HydrophobicContact CD2-CG 4.25Å; L39-Y43 CarbonylContact O-C 3.49Å; L39-Y43 VanDerWaalsContact O-CA 3.32Å; L39-Y43 WeakPolarHBondContact O-CA 3.34Å; L39-Y43 WeakPolarHBondContact O-CB 3.35Å; L39-Y43 PolarHBondContact O-N 3.48Å; L39-S44 PolarHBondContact O-N 2.88Å; L39-F92 HydrophobicContact CB-CD2 4.23Å; L39-F92 HydrophobicContact CB-CE2 4.21Å; L39-F92 HydrophobicContact CB-CG 4.39Å; L39-F92 HydrophobicContact CB-CZ 4.36Å; L39-F92 WeakPolarHBondContact O-CE2 3.38Å; L39-V231 HydrophobicContact CD2-CG2 4.27Å; L39-V231 HydrophobicContact CG-CG2 4.39Å; L39-L239 HydrophobicContact CD2-CD2 3.87Å
40V78.6Confident75.8Confident57 Ų5749.7 Ų49.735%0.34526%0.26SS..Hα-helixtrans-64.6-40.8178.21720000111.5F36 S44 F92F36-V40 HydrophobicContact CD1-CG2 4.06Å; F36-V40 HydrophobicContact CD2-CG2 4.31Å; F36-V40 HydrophobicContact CE1-CG2 3.69Å; F36-V40 HydrophobicContact CE2-CG2 3.92Å; F36-V40 HydrophobicContact CG-CG2 4.39Å; F36-V40 HydrophobicContact CZ-CG2 3.61Å; F36-V40 WeakPolarHBondContact O-CB 3.16Å; F36-V40 VanDerWaalsContact O-CG2 3.31Å; F36-V40 WeakPolarHBondContact O-CG2 3.48Å; F36-V40 PolarHBondContact O-N 3.08Å; V40-S44 WeakPolarHBondContact O-CB 3.38Å; V40-S44 PolarHBondContact O-OG 3.31Å; V40-F92 HydrophobicContact CG2-CB 3.96Å; V40-F92 HydrophobicContact CG2-CD2 4.26Å
41T71.4Confident74.7Confident76 Ų7648.2 Ų48.247%0.46626%0.257SS..Hα-helixtrans-77.7-47-176.349.70000113C37 S38 P228C37-T41 WeakPolarHBondContact O-CB 3.47Å; C37-T41 VanDerWaalsContact O-CG2 3.27Å; C37-T41 WeakPolarHBondContact O-CG2 3.19Å; C37-T41 PolarHBondContact O-N 3.15Å; C37-T41 PolarHBondContact O-OG1 2.87Å; S38-T41 WeakPolarHBondContact CA-OG1 3.5Å; S38-T41 PolarHBondContact O-N 3.35Å; S38-T41 PolarHBondContact O-OG1 3.39Å; T41-P228 HydrophobicContact CG2-CG 3.95Å; T41-P228 WeakPolarHBondContact OG1-CG 3.49Å
42H74.2Confident72.9Confident64 Ų6449.7 Ų49.730%0.29628%0.279SS..Hα-helixtrans-99.1-21.7-171.2-55112.2000114.1S38 P228 F230S38-H42 WeakPolarHBondContact O-CB 3.37Å; S38-H42 PolarHBondContact O-N 2.95Å; S38-H42 PolarHBondContact O-ND1 3.15Å; S38-H42 PolarHBondContact OG-ND1 3.35Å; H42-P228 PolarHBondContact CE1-O 2.92Å; H42-F230 HydrophobicContact CB-CD1 4.48Å; H42-F230 HydrophobicContact CB-CE1 4.34Å; H42-F230 AromaticContact CD2-CE1 3.31Å; H42-F230 WeakPolarHBondContact CD2-CE1 3.35Å; H42-F230 AromaticContact CD2-CZ 3.77Å; H42-F230 AromaticContact CE1-CE1 3.97Å; H42-F230 AromaticContact CG-CD1 3.93Å; H42-F230 AromaticContact CG-CE1 3.65Å; H42-F230 AromaticContact NE2-CE1 3.55Å; H42-F230 AromaticContact NE2-CZ 3.6Å
43Y79Confident70.5Confident30 Ų3054.1 Ų54.112%0.11831%0.312CS..SBendtrans-123.313.4-168.8-60.7-82.4000114.2L39 L45 V231 S236 L239L39-Y43 HydrophobicContact CD2-CD2 3.91Å; L39-Y43 HydrophobicContact CD2-CG 4.25Å; L39-Y43 CarbonylContact O-C 3.49Å; L39-Y43 VanDerWaalsContact O-CA 3.32Å; L39-Y43 WeakPolarHBondContact O-CA 3.34Å; L39-Y43 WeakPolarHBondContact O-CB 3.35Å; L39-Y43 PolarHBondContact O-N 3.48Å; Y43-L45 PolarHBondContact O-N 3.28Å; Y43-V231 HydrophobicContact CE2-CB 4.24Å; Y43-V231 HydrophobicContact CE2-CG2 4.11Å; Y43-V231 PolarHBondContact OH-O 2.77Å; Y43-S236 VanDerWaalsContact CE1-OG 3.26Å; Y43-S236 WeakPolarHBondContact CE1-OG 3.46Å; Y43-S236 WeakPolarHBondContact OH-CB 3.41Å; Y43-L239 HydrophobicContact CD1-CD2 3.78Å; Y43-L239 HydrophobicContact CG-CD2 3.74Å
44S77.2Confident68.1Low32 Ų3260.8 Ų60.822%0.22434%0.337CS..SBendtrans-66-17.6172.1550000113.5L39 V40 W89 L90L39-S44 PolarHBondContact O-N 2.88Å; V40-S44 WeakPolarHBondContact O-CB 3.38Å; V40-S44 PolarHBondContact O-OG 3.31Å; S44-W89 CarbonylContact O-C 3.44Å; S44-W89 WeakPolarHBondContact O-CA 3.35Å; S44-L90 PolarHBondContact O-N 3.35Å
45L79.2Confident65.6Low61 Ų6163.7 Ų63.732%0.31936%0.358SS..EExtended strand (participates in β ladder)trans-122.9120.5170.6-175.363.1000108.9Y43 P87 W89Y43-L45 PolarHBondContact O-N 3.28Å; L45-P87 HydrophobicContact CD1-CB 3.73Å; L45-P87 HydrophobicContact CG-CB 4.45Å; L45-W89 HydrophobicContact CB-CE3 4.36Å; L45-W89 HydrophobicContact CB-CZ3 4.3Å; L45-W89 HydrophobicContact CD1-CD2 3.69Å; L45-W89 HydrophobicContact CD1-CE3 4.17Å; L45-W89 HydrophobicContact CD1-CG 4Å; L45-W89 HydrophobicContact CD1-CH2 4.36Å; L45-W89 HydrophobicContact CD1-CZ2 3.88Å; L45-W89 HydrophobicContact CD1-CZ3 4.48Å; L45-W89 HydrophobicContact CD2-CH2 4.28Å; L45-W89 HydrophobicContact CD2-CZ2 4.19Å
46T75.6Confident63Low6 Ų672.5 Ų72.54%0.03740%0.399CS..EExtended strand (participates in β ladder)trans-128.9148.3177.3410000110.8V88 L90 L239 T243T46-V88 PolarHBondContact N-O 3.08Å; T46-V88 PolarHBondContact O-N 3.45Å; T46-L90 HydrophobicContact CG2-CD1 4.29Å; T46-L90 WeakPolarHBondContact OG1-CD1 3.41Å; T46-L239 HydrophobicContact CG2-CD2 4.49Å; T46-T243 VanDerWaalsContact OG1-CG2 3.31Å; T46-T243 WeakPolarHBondContact OG1-CG2 3.42Å; T46-T243 PolarHBondContact OG1-OG1 2.83Å
47F74.3Confident60.3Low92 Ų9278.8 Ų78.840%0.40443%0.428SS..EExtended strand (participates in β ladder)trans-98.1135.8178.8-67.7-85.8000110.5R85 P87F47-R85 HydrophobicContact CB-CB 4.37Å; F47-R85 HydrophobicContact CD1-CB 4Å; F47-P87 HydrophobicContact CD1-CB 4.11Å; F47-P87 HydrophobicContact CE1-CB 3.83Å; F47-P87 HydrophobicContact CE1-CG 4.47Å; F47-P87 HydrophobicContact CZ-CB 4.47Å
48V72.9Confident57.8Low7 Ų782.8 Ų82.84%0.04245%0.445CS..PPolyproline II helixtrans-75.4134.5177.71770000109.7S50 Q86 V88 Y247 W248V48-S50 PolarHBondContact O-N 3.46Å; V48-Q86 PolarHBondContact N-O 3.06Å; V48-V88 HydrophobicContact CG2-CB 4.48Å; V48-V88 HydrophobicContact CG2-CG2 3.5Å; V48-V88 VanDerWaalsContact CG2-CG2 3.5Å; V48-Y247 HydrophobicContact CB-CD1 4.35Å; V48-Y247 HydrophobicContact CB-CG 4.4Å; V48-Y247 HydrophobicContact CG1-CD1 3.66Å; V48-Y247 HydrophobicContact CG1-CE1 4.18Å; V48-Y247 HydrophobicContact CG1-CG 4.1Å; V48-Y247 HydrophobicContact CG2-CD1 3.96Å; V48-Y247 HydrophobicContact CG2-CD2 3.81Å; V48-Y247 HydrophobicContact CG2-CE2 4.45Å; V48-Y247 HydrophobicContact CG2-CG 3.53Å; V48-W248 HydrophobicContact CG1-CZ2 4.48Å
49R65.1Low55.2Low137 Ų13790.6 Ų90.652%0.51749%0.486SS..PPolyproline II helixtrans-72123.1169.3-71.5-175-179.7-172.9-1.3109.2N51 S244 W248R49-N51 PolarHBondContact O-N 3.06Å; R49-S244 PolarHBondContact N-OG 3.21Å; R49-S244 VanDerWaalsContact N-OG 3.11Å; R49-W248 PolarHBondContact O-NE1 3.46Å
50S53.1Low52.6Low66 Ų6694.1 Ų94.146%0.46252%0.524SS..PPolyproline II helixtrans-70.1121.6171.656.20000109.2V48 G52V48-S50 PolarHBondContact O-N 3.46Å; S50-G52 PolarHBondContact O-N 3.33Å
51N51Low50Low133 Ų13397.3 Ų97.371%0.71154%0.543SS*.  trans-68.3101.9165.1-79-6.6000107.5R49 S53R49-N51 PolarHBondContact O-N 3.06Å; N51-S53 PolarHBondContact O-N 3.47Å
52G35.2Very low47.8Very low66 Ų66101.1 Ų101.168%0.6856%0.561SS**  trans-51.9127.1168.600000109.1S50 K54S50-G52 PolarHBondContact O-N 3.33Å; G52-K54 PolarHBondContact O-N 3.1Å
53S30.7Very low45.3Very low108 Ų108106.1 Ų106.176%0.75558%0.582SS**  trans-56.5103.7-179.647.80000110.9N51 S55N51-S53 PolarHBondContact O-N 3.47Å; S53-S55 PolarHBondContact O-N 3.44Å
54K31.4Very low42.5Very low209 Ų209114.7 Ų114.791%0.90961%0.614SS**  trans-67.581.7147-75.5-176.3176.2-179.70106.2G52 E56G52-K54 PolarHBondContact O-N 3.1Å; K54-E56 PolarHBondContact O-N 3.01Å
55S25.6Very low39.9Very low90 Ų90119.6 Ų119.663%0.62964%0.637SS**  trans-68.9117.6174.5610000108.7S53 H57S53-S55 PolarHBondContact O-N 3.44Å; S55-H57 PolarHBondContact O-N 3.5Å
56E25.3Very low37.2Very low188 Ų188121.6 Ų121.688%0.87966%0.657SS**  trans-53.5112.7172-62.2171.8148.800111K54K54-E56 PolarHBondContact O-N 3.01Å
57H27.6Very low34.7Very low171 Ų171128.6 Ų128.679%0.79269%0.693SS**  trans-118.492.9153.6-94.9-66.5000108.7S55S55-H57 PolarHBondContact O-N 3.5Å
58L25.8Very low32.3Very low141 Ų141130 Ų13074%0.73871%0.714SS**  trans36.3110.7144.2-73.1153.1000119.8
59L25.1Very low30Very low164 Ų164137.1 Ų137.186%0.85975%0.747SS**  trans52.697.5133.1-75.6156.1000118.6
60G25.9Very low28Very low79 Ų79136.8 Ų136.881%0.81476%0.761SS**  trans-156.696.2157.100000109.7
61T24.4Very low26.5Very low124 Ų124138.6 Ų138.676%0.76177%0.773SS**  trans-65125.2176.346.50000111.2
62D24.4Very low25.3Very low155 Ų155140.4 Ų140.483%0.82978%0.777SS**  -167.7156.2128.1-101.6-30.2000114.2
63K22.7Very low24.7Very low170 Ų170143.8 Ų143.874%0.73979%0.785SS**  trans-76151.3-153.1-76.1161.9173.3162.70116.7
64R20.9Very low24.3Very low209 Ų209147.8 Ų147.879%0.78979%0.791SS**  trans83.8115.4135.1-84.4177.9-179.4163.6-1.3120.3
65N22Very low23.9Very low135 Ų135142 Ų14272%0.72278%0.776SS**  107.8113.8124.5-68-4.3000119.1
66S22.6Very low23.8Very low103 Ų103143.9 Ų143.972%0.7278%0.78SS**  trans66.898.7138.859.80000119.6
67L22.1Very low23.8Very low153 Ų153142.6 Ų142.680%0.80178%0.777SS**  31.7105.8115.1-72.4155.2000116.5E69L67-E69 HydrophobicContact CD2-CG 4.48Å
68S25Very low23.6Very low121 Ų121136.7 Ų136.785%0.84676%0.762SS**  trans-148.8115.5132.856.80000108.7
69E23.6Very low23.6Very low157 Ų157137.4 Ų137.473%0.73477%0.765SS**  trans-69.7133.4-173.3-71.6168.1144.800112.2L67L67-E69 HydrophobicContact CD2-CG 4.48Å
70T23.8Very low23.5Very low131 Ų131133.9 Ų133.980%0.80476%0.755SS**  69.9107.8111.9710000116.9
71S22.2Very low23.5Very low104 Ų104136.5 Ų136.573%0.72775%0.75SS**  trans-151.4145131.555.60000109.3
72E24.1Very low23.7Very low170 Ų170138.6 Ų138.679%0.79475%0.749SS**  trans80.672.4159.9-62.7164.1-145.600117.9
73V24Very low24.2Very low138 Ų138135.3 Ų135.384%0.83674%0.738SS**  trans-109.780147.9-173.90000107.8
74H21.4Very low25.1Very low191 Ų191132 Ų13288%0.88473%0.732SS**  trans-110.484.8161.4-88.6-68.6000108.2
75S23.7Very low26.4Very low87 Ų87127.8 Ų127.861%0.60872%0.716SS**  trans-156.8147.3151.959.90000108.1
76D23.7Very low28.4Very low131 Ų131125.9 Ų125.970%0.70170%0.703SS**  trans91.961.1168.8-45.4-20.2000117.7
77I24.6Very low30.9Very low160 Ų160123.6 Ų123.682%0.82169%0.686SS**  trans-102.343.1133.4-47.9174.8000107.8
78G23.3Very low33.6Very low47 Ų47116.6 Ų116.649%0.48565%0.649SS.*SBendtrans-67.7139.6159.100000108.1S80G78-S80 PolarHBondContact O-N 3.39Å; G78-S80 PolarHBondContact O-OG 3.48Å
79I26.1Very low36.3Very low156 Ų156114.7 Ų114.780%0.862%0.624SS**  trans-58.773.8-179.5-57.3162000109.3N81 F82I79-N81 PolarHBondContact O-N 2.96Å; I79-F82 HydrophobicContact CG2-CE2 4.27Å
80S23.6Very low39.2Very low91 Ų91107.4 Ų107.464%0.63659%0.59SS**  trans-92.6101.1175.148.70000106.9G78 F82G78-S80 PolarHBondContact O-N 3.39Å; G78-S80 PolarHBondContact O-OG 3.48Å; S80-F82 PolarHBondContact O-N 2.93Å
81N25.5Very low42.1Very low133 Ų133102.6 Ų102.671%0.71156%0.557SS**  trans22.589.7161.8-65.5-22.8000115.2I79 S83I79-N81 PolarHBondContact O-N 2.96Å; N81-S83 PolarHBondContact O-N 3.16Å; N81-S83 PolarHBondContact O-OG 3.08Å
82F29.1Very low45Very low169 Ų16998.2 Ų98.274%0.74153%0.525SS*.G310 helixtrans-484.2178-77-83.3000117.7I79 S80 T84I79-F82 HydrophobicContact CG2-CE2 4.27Å; S80-F82 PolarHBondContact O-N 2.93Å; F82-T84 VanDerWaalsContact C-N 3.26Å; F82-T84 PolarHBondContact O-N 3.26Å
83S33.8Very low47.7Very low85 Ų8591.7 Ų91.759%0.59450%0.495SS*.G310 helixtrans-62.6-15.1-177.960.90000116.3N81N81-S83 PolarHBondContact O-N 3.16Å; N81-S83 PolarHBondContact O-OG 3.08Å
84T41.5Very low50.3Low100 Ų10088.3 Ų88.361%0.61347%0.469SS*.G310 helixtrans-114.2-8.4-169.758.10000116.5F82F82-T84 VanDerWaalsContact C-N 3.26Å; F82-T84 PolarHBondContact O-N 3.26Å
85R48.4Very low52.6Low121 Ų12186.8 Ų86.846%0.45746%0.463SS..  trans-96.3107.8-176.1-68.3-172.5-178.41802.2111.5F47F47-R85 HydrophobicContact CB-CB 4.37Å; F47-R85 HydrophobicContact CD1-CB 4Å
86Q64Low54.8Low95 Ų9584.1 Ų84.144%0.44444%0.439SS..  trans-78128173.2-102.2177.8-1500111V48 Y247V48-Q86 PolarHBondContact N-O 3.06Å; Q86-Y247 PolarHBondContact OE1-OH 3.3Å
87P74.8Confident57Low56 Ų5679.7 Ų79.736%0.36442%0.416SS..EExtended strand (participates in β ladder)trans-79138.8176.329.8-32.1000111.9L45 F47L45-P87 HydrophobicContact CD1-CB 3.73Å; L45-P87 HydrophobicContact CG-CB 4.45Å; F47-P87 HydrophobicContact CD1-CB 4.11Å; F47-P87 HydrophobicContact CE1-CB 3.83Å; F47-P87 HydrophobicContact CE1-CG 4.47Å; F47-P87 HydrophobicContact CZ-CB 4.47Å
88V78.7Confident59Low6 Ų674.3 Ų74.34%0.03639%0.391CS..EExtended strand (participates in β ladder)trans-120.2134.3174.8177.80000109.3V16 T46 V48 L90 T243 Y247V16-V88 HydrophobicContact CG2-CG1 4.16Å; T46-V88 PolarHBondContact N-O 3.08Å; T46-V88 PolarHBondContact O-N 3.45Å; V48-V88 HydrophobicContact CG2-CB 4.48Å; V48-V88 HydrophobicContact CG2-CG2 3.5Å; V48-V88 VanDerWaalsContact CG2-CG2 3.5Å; V88-L90 HydrophobicContact CG1-CD2 4.41Å; V88-T243 HydrophobicContact CB-CG2 3.97Å; V88-T243 HydrophobicContact CG1-CG2 4.06Å; V88-Y247 HydrophobicContact CG2-CD2 3.56Å; V88-Y247 HydrophobicContact CG2-CE2 4.32Å; V88-Y247 HydrophobicContact CG2-CG 4.28Å
89W82.2Confident61.1Low80 Ų8075.2 Ų75.230%0.30338%0.384SS..EExtended strand (participates in β ladder)trans-94.4129.8179.6-66.979.7000110.7K14 R15 V16 S44 L45K14-W89 VanDerWaalsContact CE-CD1 3.49Å; R15-W89 CarbonylContact C-O 3.52Å; R15-W89 WeakPolarHBondContact CA-O 3.34Å; R15-W89 HydrophobicContact CB-CB 4.43Å; R15-W89 HydrophobicContact CG-CB 3.92Å; V16-W89 PolarHBondContact N-O 3.23Å; S44-W89 CarbonylContact O-C 3.44Å; S44-W89 WeakPolarHBondContact O-CA 3.35Å; L45-W89 HydrophobicContact CB-CE3 4.36Å; L45-W89 HydrophobicContact CB-CZ3 4.3Å; L45-W89 HydrophobicContact CD1-CD2 3.69Å; L45-W89 HydrophobicContact CD1-CE3 4.17Å; L45-W89 HydrophobicContact CD1-CG 4Å; L45-W89 HydrophobicContact CD1-CH2 4.36Å; L45-W89 HydrophobicContact CD1-CZ2 3.88Å; L45-W89 HydrophobicContact CD1-CZ3 4.48Å; L45-W89 HydrophobicContact CD2-CH2 4.28Å; L45-W89 HydrophobicContact CD2-CZ2 4.19Å
90L84.8Confident63.3Low4 Ų468.6 Ų68.62%0.02135%0.35CS..EExtended strand (participates in β ladder)trans-109.7142.8179.1-59.2-179.8000110.8V16 V18 S44 T46 V88 F92 L239 T243V16-L90 HydrophobicContact CB-CD2 4.13Å; V16-L90 CarbonylContact O-C 3.56Å; V16-L90 WeakPolarHBondContact O-CA 3.47Å; V18-L90 HydrophobicContact CG2-CD2 4.13Å; S44-L90 PolarHBondContact O-N 3.35Å; T46-L90 HydrophobicContact CG2-CD1 4.29Å; T46-L90 WeakPolarHBondContact OG1-CD1 3.41Å; V88-L90 HydrophobicContact CG1-CD2 4.41Å; L90-F92 HydrophobicContact CB-CE2 3.98Å; L90-F92 HydrophobicContact CB-CZ 3.97Å; L90-F92 HydrophobicContact CD1-CE1 4.37Å; L90-F92 HydrophobicContact CD1-CE2 4.41Å; L90-F92 HydrophobicContact CD1-CZ 3.7Å; L90-L239 HydrophobicContact CD1-CD1 4.49Å; L90-T243 WeakPolarHBondContact CD1-OG1 3.43Å; L90-T243 HydrophobicContact CD2-CG2 4.28Å
91R84.3Confident65.6Low31 Ų3164.8 Ų64.812%0.11732%0.323CS..EExtended strand (participates in β ladder)trans-117.5117.1169.6179.3-173.1-173.5149.712.6108.6D5 D12 R15 V16 T17 V18 L93D5-R91 IonicContact OD1-NH2 3.06Å; D5-R91 IonicContact OD2-CZ 2.72Å; D5-R91 IonicContact OD2-NH2 2.68Å; D5-R91 PolarHBondContact OD2-NH2 3.39Å; D12-R91 IonicContact OD2-CZ 3.8Å; D12-R91 IonicContact OD2-NH1 3.22Å; D12-R91 PolarHBondContact OD2-NH1 3.41Å; R15-R91 HydrophobicContact CB-CB 3.97Å; V16-R91 PolarHBondContact O-N 3.16Å; T17-R91 CarbonylContact C-O 3.43Å; T17-R91 WeakPolarHBondContact CA-O 3.34Å; V18-R91 PolarHBondContact N-O 2.96Å; R91-L93 HydrophobicContact CG-CD2 4.49Å
92F84.6Confident67.6Low11 Ų1160.1 Ų60.15%0.04830%0.302CS..EExtended strand (participates in β ladder)trans-92.9135.2176.5-58-81.7000110.9V18 L20 F36 L39 V40 L90 L116 L239V18-F92 HydrophobicContact CB-CD1 3.95Å; V18-F92 HydrophobicContact CB-CE1 4.11Å; V18-F92 HydrophobicContact CG1-CD1 4.1Å; V18-F92 HydrophobicContact CG1-CE1 4.13Å; V18-F92 WeakPolarHBondContact O-CA 3.07Å; L20-F92 HydrophobicContact CD1-CD1 4.43Å; F36-F92 HydrophobicContact CD2-CB 4.39Å; F36-F92 HydrophobicContact CE2-CB 3.89Å; L39-F92 HydrophobicContact CB-CD2 4.23Å; L39-F92 HydrophobicContact CB-CE2 4.21Å; L39-F92 HydrophobicContact CB-CG 4.39Å; L39-F92 HydrophobicContact CB-CZ 4.36Å; L39-F92 WeakPolarHBondContact O-CE2 3.38Å; V40-F92 HydrophobicContact CG2-CB 3.96Å; V40-F92 HydrophobicContact CG2-CD2 4.26Å; L90-F92 HydrophobicContact CB-CE2 3.98Å; L90-F92 HydrophobicContact CB-CZ 3.97Å; L90-F92 HydrophobicContact CD1-CE1 4.37Å; L90-F92 HydrophobicContact CD1-CE2 4.41Å; L90-F92 HydrophobicContact CD1-CZ 3.7Å; F92-L116 HydrophobicContact CD1-CD1 4.27Å; F92-L116 HydrophobicContact CE1-CD1 3.8Å; F92-L239 HydrophobicContact CE1-CD1 4.15Å; F92-L239 HydrophobicContact CZ-CD1 4.26Å; F92-L239 HydrophobicContact CZ-CD2 4.3Å
93L80.6Confident69.7Low34 Ų3453.6 Ų53.618%0.17827%0.273CS..EExtended strand (participates in β ladder)trans-127.2127.8176.3-64.7176000110.2T17 V18 L20 R91 Y96T17-L93 HydrophobicContact CG2-CD1 3.45Å; T17-L93 VanDerWaalsContact CG2-CD1 3.45Å; T17-L93 HydrophobicContact CG2-CG 4.06Å; V18-L93 PolarHBondContact O-N 3.32Å; L20-L93 PolarHBondContact N-O 3.45Å; R91-L93 HydrophobicContact CG-CD2 4.49Å; L93-Y96 HydrophobicContact CD1-CD2 3.9Å
94K78Confident71.5Confident66 Ų6650.7 Ų50.729%0.28725%0.253SS..SBendtrans-73.9-43.2173-66.7-173.1-174.4171.80112.4L20 F32 D33 F36L20-K94 VanDerWaalsContact O-O 3.13Å; F32-K94 HydrophobicContact CD1-CD 4.47Å; F32-K94 HydrophobicContact CE1-CB 4.42Å; F32-K94 HydrophobicContact CE1-CD 3.96Å; F32-K94 HydrophobicContact CE1-CG 3.95Å; D33-K94 WeakPolarHBondContact OD1-CE 3.43Å; D33-K94 IonicContact OD1-NZ 2.63Å; D33-K94 PolarHBondContact OD1-NZ 3.43Å; D33-K94 IonicContact OD2-NZ 2.66Å; D33-K94 PolarHBondContact OD2-NZ 3.38Å; F36-K94 HydrophobicContact CB-CD 4.44Å; F36-K94 HydrophobicContact CB-CG 4.34Å; F36-K94 HydrophobicContact CD1-CD 4.21Å; F36-K94 HydrophobicContact CD1-CG 4.14Å; F36-K94 HydrophobicContact CD2-CD 4.24Å; F36-K94 HydrophobicContact CD2-CG 3.37Å; F36-K94 HydrophobicContact CE1-CG 4.25Å; F36-K94 HydrophobicContact CE2-CB 4.47Å; F36-K94 HydrophobicContact CE2-CG 3.54Å; F36-K94 HydrophobicContact CG-CD 4.04Å; F36-K94 HydrophobicContact CG-CG 3.69Å; F36-K94 HydrophobicContact CZ-CG 3.97Å
95E68.7Low72.8Confident160 Ų16047.3 Ų47.375%0.74823%0.233SC*.SBendtrans-114.7109.3-177.9-66.3-179.3166.300109.2K528E95-K528 IonicContact OE2-NZ 2.69Å
96Y70.5Confident74.3Confident31 Ų3141.7 Ų41.712%0.12221%0.212CC..  trans-114.6129.1175.7-174.3-97.2000111.3L93 N100 N101 R110 T112 L141L93-Y96 HydrophobicContact CD1-CD2 3.9Å; Y96-N100 HydrophobicContact CE1-CB 4.43Å; Y96-N100 HydrophobicContact CE2-CB 3.85Å; Y96-N100 WeakPolarHBondContact OH-CB 3.49Å; Y96-N101 PolarHBondContact OH-N 3.25Å; Y96-N101 VanDerWaalsContact OH-N 3.13Å; Y96-N101 PolarHBondContact OH-OD1 3.5Å; Y96-R110 WeakPolarHBondContact CE2-O 3.42Å; Y96-R110 PolarHBondContact OH-O 3.07Å; Y96-T112 WeakPolarHBondContact CD1-OG1 3.41Å; Y96-T112 WeakPolarHBondContact CD2-OG1 3.45Å; Y96-T112 VanDerWaalsContact CE1-OG1 3.3Å; Y96-T112 WeakPolarHBondContact CE1-OG1 3.46Å; Y96-T112 WeakPolarHBondContact CE2-OG1 3.47Å; Y96-L141 HydrophobicContact CD1-CD2 3.54Å; Y96-L141 HydrophobicContact CE1-CD2 3.73Å
97N70.4Confident75.2Confident38 Ų3837.4 Ų37.420%0.20319%0.192CC..  trans-92.4120.4172.6-174.8-20.2000109.8M1 A3 I99 N100M1-N97 PolarHBondContact O-ND2 3.26Å; A3-N97 HydrophobicContact CB-CB 3.22Å; A3-N97 PolarHBondContact N-ND2 2.98Å; N97-I99 PolarHBondContact O-N 2.82Å; N97-I99 WeakPolarHBondContact OD1-CB 3.35Å; N97-I99 WeakPolarHBondContact OD1-CG1 3.35Å; N97-I99 PolarHBondContact OD1-N 2.9Å; N97-N100 WeakPolarHBondContact O-CB 3.41Å; N97-N100 PolarHBondContact O-N 3.26Å
98P67Low75.3Confident47 Ų4735 Ų3531%0.30518%0.177SC..G310 helixtrans-59-17.7-179.225.9-37000114N100 N101 L140P98-N100 PolarHBondContact O-N 3.3Å; P98-N101 VanDerWaalsContact O-CB 3.32Å; P98-N101 WeakPolarHBondContact O-CB 3.27Å; P98-N101 PolarHBondContact O-N 3.43Å; P98-L140 HydrophobicContact CB-CD1 4.38Å; P98-L140 HydrophobicContact CB-CD2 4.15Å; P98-L140 HydrophobicContact CB-CG 3.87Å; P98-L140 HydrophobicContact CG-CD1 4.07Å; P98-L140 HydrophobicContact CG-CD2 3.86Å; P98-L140 HydrophobicContact CG-CG 3.91Å
99I66.8Low75.4Confident65 Ų6535.1 Ų35.133%0.33318%0.176SC..G310 helixtrans-61.1-26.2173.8-66.8167.2000111.7M1 F2 N97 N101 A102M1-I99 WeakPolarHBondContact O-CD1 3.44Å; F2-I99 HydrophobicContact CD1-CG2 3.7Å; F2-I99 HydrophobicContact CE1-CG2 4.12Å; N97-I99 PolarHBondContact O-N 2.82Å; N97-I99 WeakPolarHBondContact OD1-CB 3.35Å; N97-I99 WeakPolarHBondContact OD1-CG1 3.35Å; N97-I99 PolarHBondContact OD1-N 2.9Å; I99-N101 PolarHBondContact O-N 2.94Å; I99-A102 VanDerWaalsContact O-CB 3.29Å; I99-A102 WeakPolarHBondContact O-CB 3.32Å; I99-A102 PolarHBondContact O-N 2.98Å; I99-A102 VanDerWaalsContact O-N 3.11Å
100N72.1Confident75.2Confident18 Ų1832.1 Ų32.110%0.09617%0.165CC..G310 helixtrans-66.1-27.3175.3-73.3-7.3000112.5A3 Y96 N97 P98 A102 W103A3-N100 PolarHBondContact O-ND2 2.86Å; A3-N100 PolarHBondContact O-OD1 3.31Å; Y96-N100 HydrophobicContact CE1-CB 4.43Å; Y96-N100 HydrophobicContact CE2-CB 3.85Å; Y96-N100 WeakPolarHBondContact OH-CB 3.49Å; N97-N100 WeakPolarHBondContact O-CB 3.41Å; N97-N100 PolarHBondContact O-N 3.26Å; P98-N100 PolarHBondContact O-N 3.3Å; N100-A102 PolarHBondContact O-N 2.82Å; N100-W103 PolarHBondContact O-N 2.74Å
101N71.9Confident75.1Confident11 Ų1132.3 Ų32.36%0.05917%0.167CC..G310 helixtrans-65.9-25.6173.8-73.1-31.6000112.1Y96 P98 I99 W103 S104 T112 T144Y96-N101 PolarHBondContact OH-N 3.25Å; Y96-N101 VanDerWaalsContact OH-N 3.13Å; Y96-N101 PolarHBondContact OH-OD1 3.5Å; P98-N101 VanDerWaalsContact O-CB 3.32Å; P98-N101 WeakPolarHBondContact O-CB 3.27Å; P98-N101 PolarHBondContact O-N 3.43Å; I99-N101 PolarHBondContact O-N 2.94Å; N101-W103 PolarHBondContact O-N 3.47Å; N101-S104 VanDerWaalsContact O-CB 3.24Å; N101-S104 WeakPolarHBondContact O-CB 3.34Å; N101-S104 PolarHBondContact O-N 3.07Å; N101-S104 VanDerWaalsContact O-N 3.16Å; N101-S104 PolarHBondContact O-OG 3.38Å; N101-T112 PolarHBondContact OD1-N 3.44Å; N101-T144 HydrophobicContact CB-CG2 3.97Å; N101-T144 PolarHBondContact ND2-OG1 3.37Å; N101-T144 PolarHBondContact OD1-OG1 3.27Å
102A68.1Low75Confident34 Ų3430.9 Ų30.928%0.28116%0.161SC..G310 helixtrans-65.9-23177.100000112.9I99 N100 V299I99-A102 VanDerWaalsContact O-CB 3.29Å; I99-A102 WeakPolarHBondContact O-CB 3.32Å; I99-A102 PolarHBondContact O-N 2.98Å; I99-A102 VanDerWaalsContact O-N 3.11Å; N100-A102 PolarHBondContact O-N 2.82Å; A102-V299 HydrophobicContact CB-CG1 4.4Å; A102-V299 HydrophobicContact CB-CG2 4.29Å
103W71.8Confident75Confident32 Ų3230.7 Ų30.712%0.12116%0.161CC..G310 helixtrans-99.10.6177.1-69.689.5000113.4N100 N101 C105 F106 Q107 L296 L479 N480 L483N100-W103 PolarHBondContact O-N 2.74Å; N101-W103 PolarHBondContact O-N 3.47Å; W103-C105 PolarHBondContact O-N 2.99Å; W103-C105 VanDerWaalsContact O-N 3.15Å; W103-F106 HydrophobicContact CE3-CB 4.38Å; W103-F106 HydrophobicContact CE3-CD1 4.24Å; W103-F106 PolarHBondContact O-N 3.46Å; W103-Q107 PolarHBondContact O-N 3.43Å; W103-L296 HydrophobicContact CZ3-CD1 4.25Å; W103-L479 HydrophobicContact CZ3-CD1 4.35Å; W103-N480 HydrophobicContact CZ2-CB 4.44Å; W103-L483 HydrophobicContact CD2-CD1 3.5Å; W103-L483 VanDerWaalsContact CE2-CD1 3.42Å; W103-L483 HydrophobicContact CE3-CD1 3.61Å; W103-L483 HydrophobicContact CG-CD1 4.22Å; W103-L483 HydrophobicContact CH2-CD1 3.6Å; W103-L483 HydrophobicContact CZ2-CD1 3.49Å; W103-L483 VanDerWaalsContact CZ2-CD1 3.49Å; W103-L483 HydrophobicContact CZ3-CD1 3.66Å
104S72.6Confident75.3Confident25 Ų2529 Ų2918%0.17515%0.153CC..THydrogen-bonded Turntrans-56.7-30.5-17959.70000113.9N101 F106 Q107 P108 T144N101-S104 VanDerWaalsContact O-CB 3.24Å; N101-S104 WeakPolarHBondContact O-CB 3.34Å; N101-S104 PolarHBondContact O-N 3.07Å; N101-S104 VanDerWaalsContact O-N 3.16Å; N101-S104 PolarHBondContact O-OG 3.38Å; S104-F106 VanDerWaalsContact C-N 3.28Å; S104-F106 PolarHBondContact O-N 3.23Å; S104-Q107 CarbonylContact O-C 3.49Å; S104-P108 VanDerWaalsContact O-CA 3.23Å; S104-P108 WeakPolarHBondContact O-CA 3.43Å; S104-P108 WeakPolarHBondContact O-CG 3.45Å; S104-T144 WeakPolarHBondContact OG-CG2 3.34Å
105C69.3Low75.8Confident29 Ų2925.9 Ų25.920%0.19614%0.139CC..THydrogen-bonded Turntrans-70.6-24.717760.80000113.4W103W103-C105 PolarHBondContact O-N 2.99Å; W103-C105 VanDerWaalsContact O-N 3.15Å
106F79.4Confident76.8Confident2 Ų218.5 Ų18.51%0.00910%0.104CC..THydrogen-bonded Turntrans-98.3-37.9178.3-179.6-107000111.8W103 S104 K346 L379 W380 Y474W103-F106 HydrophobicContact CE3-CB 4.38Å; W103-F106 HydrophobicContact CE3-CD1 4.24Å; W103-F106 PolarHBondContact O-N 3.46Å; S104-F106 VanDerWaalsContact C-N 3.28Å; S104-F106 PolarHBondContact O-N 3.23Å; F106-K346 PolarHBondContact O-NZ 3.38Å; F106-L379 HydrophobicContact CD2-CG 4.49Å; F106-L379 HydrophobicContact CE1-CD1 4.24Å; F106-L379 HydrophobicContact CE2-CD1 4.07Å; F106-L379 HydrophobicContact CE2-CG 3.81Å; F106-L379 WeakPolarHBondContact CE2-O 3.46Å; F106-L379 HydrophobicContact CZ-CD1 3.71Å; F106-L379 HydrophobicContact CZ-CG 3.99Å; F106-L379 WeakPolarHBondContact CZ-O 3.42Å; F106-W380 HydrophobicContact CD2-CD2 4.02Å; F106-W380 HydrophobicContact CD2-CE3 4.18Å; F106-W380 HydrophobicContact CD2-CH2 4.39Å; F106-W380 HydrophobicContact CD2-CZ2 4.23Å; F106-W380 HydrophobicContact CD2-CZ3 4.36Å; F106-W380 HydrophobicContact CE2-CD2 4.19Å; F106-W380 HydrophobicContact CE2-CE3 4.47Å; F106-W380 HydrophobicContact CE2-CG 4.37Å; F106-Y474 HydrophobicContact CE1-CE1 4.25Å; F106-Y474 HydrophobicContact CZ-CE1 4.03Å
107Q82.1Confident77.7Confident5 Ų517 Ų172%0.02310%0.099CC..  trans-132.485.6178.2-80.4174.3-21.400109.8W103 S104 Y109 R110 E386W103-Q107 PolarHBondContact O-N 3.43Å; S104-Q107 CarbonylContact O-C 3.49Å; Q107-Y109 VanDerWaalsContact C-N 3.26Å; Q107-Y109 HydrophobicContact CB-CD1 4.08Å; Q107-Y109 HydrophobicContact CB-CE1 3.69Å; Q107-Y109 HydrophobicContact CG-CE1 3.9Å; Q107-Y109 PolarHBondContact O-N 3.01Å; Q107-R110 HydrophobicContact CB-CG 4.17Å; Q107-R110 WeakPolarHBondContact O-CB 3.39Å; Q107-R110 PolarHBondContact O-N 3.18Å; Q107-R110 VanDerWaalsContact O-N 3.12Å; Q107-R110 VanDerWaalsContact OE1-CZ 3.3Å; Q107-E386 PolarHBondContact NE2-OE1 3.07Å; Q107-E386 PolarHBondContact NE2-OE2 3.19Å
108P78.2Confident78.5Confident7 Ų715.3 Ų15.35%0.0459%0.09CC..G310 helixtrans-61-26.2-174.2-29.339.4000115.2S104 R110 A111 Y347 D350 Q354S104-P108 VanDerWaalsContact O-CA 3.23Å; S104-P108 WeakPolarHBondContact O-CA 3.43Å; S104-P108 WeakPolarHBondContact O-CG 3.45Å; P108-R110 PolarHBondContact O-N 2.95Å; P108-R110 VanDerWaalsContact O-N 3.16Å; P108-A111 WeakPolarHBondContact O-CB 3.28Å; P108-A111 PolarHBondContact O-N 3.08Å; P108-Y347 HydrophobicContact CB-CE2 4.47Å; P108-Y347 HydrophobicContact CG-CD2 3.75Å; P108-Y347 HydrophobicContact CG-CE2 3.74Å; P108-D350 HydrophobicContact CB-CB 4.11Å; P108-D350 VanDerWaalsContact CD-CG 3.48Å; P108-D350 WeakPolarHBondContact CD-OD2 3.43Å; P108-D350 HydrophobicContact CG-CB 3.51Å; P108-D350 WeakPolarHBondContact CG-OD2 3.38Å; P108-Q354 PolarHBondContact O-NE2 3.45Å
109Y80Confident79.5Confident8 Ų813.1 Ų13.13%0.0318%0.075CC..G310 helixtrans-61.9-22.1176.380.5-91.5000113.5H13 T17 Q107 A111 E486 K490H13-Y109 HydrophobicContact CB-CD1 4.4Å; H13-Y109 AromaticContact CD2-CE1 3.99Å; H13-Y109 AromaticContact CE1-CD1 3.58Å; H13-Y109 AromaticContact CE1-CE1 3.34Å; H13-Y109 WeakPolarHBondContact CE1-CE1 3.45Å; H13-Y109 AromaticContact CG-CD1 3.62Å; H13-Y109 AromaticContact ND1-CD1 3.32Å; H13-Y109 VanDerWaalsContact ND1-CD1 3.32Å; H13-Y109 WeakPolarHBondContact ND1-CD1 3.4Å; H13-Y109 AromaticContact ND1-CE1 3.62Å; H13-Y109 AromaticContact NE2-CD1 3.99Å; H13-Y109 AromaticContact NE2-CE1 3.58Å; T17-Y109 PolarHBondContact OG1-O 2.97Å; Q107-Y109 VanDerWaalsContact C-N 3.26Å; Q107-Y109 HydrophobicContact CB-CD1 4.08Å; Q107-Y109 HydrophobicContact CB-CE1 3.69Å; Q107-Y109 HydrophobicContact CG-CE1 3.9Å; Q107-Y109 PolarHBondContact O-N 3.01Å; Y109-A111 VanDerWaalsContact C-N 3.3Å; Y109-E486 PolarHBondContact OH-OE1 3.07Å; Y109-K490 PolarHBondContact OH-NZ 3.18Å
110R78.7Confident80.3Confident17 Ų1711.5 Ų11.56%0.0647%0.065CC..G310 helixtrans-76.6-19174.6-62.6-175.2-178-84.3-8.5113.4Y96 Q107 P108 T112 L483 E486Y96-R110 WeakPolarHBondContact CE2-O 3.42Å; Y96-R110 PolarHBondContact OH-O 3.07Å; Q107-R110 HydrophobicContact CB-CG 4.17Å; Q107-R110 WeakPolarHBondContact O-CB 3.39Å; Q107-R110 PolarHBondContact O-N 3.18Å; Q107-R110 VanDerWaalsContact O-N 3.12Å; Q107-R110 VanDerWaalsContact OE1-CZ 3.3Å; P108-R110 PolarHBondContact O-N 2.95Å; P108-R110 VanDerWaalsContact O-N 3.16Å; R110-T112 PolarHBondContact O-N 3.32Å; R110-L483 VanDerWaalsContact CZ-CD2 3.44Å; R110-E486 IonicContact CZ-OE1 2.67Å; R110-E486 IonicContact CZ-OE2 2.83Å; R110-E486 IonicContact NH1-OE1 3.32Å; R110-E486 IonicContact NH1-OE2 3.67Å; R110-E486 PolarHBondContact NH1-OE2 3.06Å; R110-E486 IonicContact NH2-OE1 2.8Å; R110-E486 PolarHBondContact NH2-OE1 2.98Å; R110-E486 IonicContact NH2-OE2 2.86Å; R110-E486 PolarHBondContact NH2-OE2 3.07Å
111A81.6Confident80.9Confident8 Ų810.7 Ų10.77%0.0666%0.061CC..SBendtrans-69.6126.5-177.700000108.9P108 Y109 V113 T144P108-A111 WeakPolarHBondContact O-CB 3.28Å; P108-A111 PolarHBondContact O-N 3.08Å; Y109-A111 VanDerWaalsContact C-N 3.3Å; A111-V113 HydrophobicContact CB-CG2 4.31Å; A111-V113 PolarHBondContact O-N 2.97Å; A111-T144 HydrophobicContact CB-CG2 3.88Å
112T82.6Confident81.2Confident0 Ų012.4 Ų12.40%07%0.073CC..EExtended strand (participates in β ladder)trans-76108.2168.3-62.50000108.3C19 Y96 N101 R110 G114 L141 T144C19-T112 HydrophobicContact CB-CG2 3.45Å; C19-T112 VanDerWaalsContact CB-CG2 3.45Å; Y96-T112 WeakPolarHBondContact CD1-OG1 3.41Å; Y96-T112 WeakPolarHBondContact CD2-OG1 3.45Å; Y96-T112 VanDerWaalsContact CE1-OG1 3.3Å; Y96-T112 WeakPolarHBondContact CE1-OG1 3.46Å; Y96-T112 WeakPolarHBondContact CE2-OG1 3.47Å; N101-T112 PolarHBondContact OD1-N 3.44Å; R110-T112 PolarHBondContact O-N 3.32Å; T112-G114 WeakPolarHBondContact CG2-O 3Å; T112-L141 HydrophobicContact CG2-CD1 4.12Å; T112-L141 HydrophobicContact CG2-CD2 4.44Å; T112-T144 CarbonylContact O-C 3.49Å; T112-T144 PolarHBondContact O-OG1 3.43Å
113V83.9Confident81.8Confident7 Ų712.4 Ų12.44%0.0427%0.072CC..EExtended strand (participates in β ladder)trans-94.9-26.8-176.3-175.20000111.1V16 T17 A111 I146 S147 I246V16-V113 HydrophobicContact CG1-CB 3.91Å; V16-V113 HydrophobicContact CG1-CG1 4.37Å; V16-V113 HydrophobicContact CG1-CG2 4.28Å; T17-V113 PolarHBondContact O-N 3.36Å; A111-V113 HydrophobicContact CB-CG2 4.31Å; A111-V113 PolarHBondContact O-N 2.97Å; V113-I146 HydrophobicContact CG1-CB 3.73Å; V113-I146 HydrophobicContact CG1-CD1 3.3Å; V113-I146 HydrophobicContact CG1-CG1 3.53Å; V113-I146 PolarHBondContact O-N 3.08Å; V113-S147 PolarHBondContact O-N 3.28Å; V113-I246 HydrophobicContact CB-CG2 4.42Å; V113-I246 HydrophobicContact CG1-CB 4.46Å; V113-I246 HydrophobicContact CG1-CG1 4.24Å; V113-I246 HydrophobicContact CG1-CG2 3.49Å; V113-I246 VanDerWaalsContact CG1-CG2 3.49Å
114G86.8Confident82.3Confident0 Ų014.7 Ų14.70%08%0.083CC..EExtended strand (participates in β ladder)trans-119.9145.5176.700000113.1T17 V18 C19 T112 S147T17-G114 PolarHBondContact O-N 3.46Å; V18-G114 CarbonylContact C-O 3.58Å; V18-G114 WeakPolarHBondContact CA-O 3.39Å; C19-G114 PolarHBondContact N-O 3.45Å; T112-G114 WeakPolarHBondContact CG2-O 3Å; G114-S147 WeakPolarHBondContact CA-O 3.36Å
115L89.5Confident82.7Confident0 Ų017.3 Ų17.30%010%0.102CC..EExtended strand (participates in β ladder)trans-123.1123.1171.5175.362.8000110C19 A21 Y134 Q137 K138 L141 L145 S147 G148 R149C19-L115 HydrophobicContact CB-CD1 4.3Å; A21-L115 HydrophobicContact CB-CD1 4.11Å; L115-Y134 HydrophobicContact CD2-CD2 4.12Å; L115-Y134 HydrophobicContact CD2-CE2 3.54Å; L115-Y134 HydrophobicContact CG-CE2 3.99Å; L115-Q137 HydrophobicContact CD2-CB 4.43Å; L115-K138 HydrophobicContact CD2-CB 4.34Å; L115-L141 HydrophobicContact CB-CD1 4.49Å; L115-L141 HydrophobicContact CD1-CD1 3.9Å; L115-L141 HydrophobicContact CD2-CD1 4.38Å; L115-L141 HydrophobicContact CG-CD1 4.48Å; L115-L145 HydrophobicContact CB-CD1 3.56Å; L115-L145 HydrophobicContact CB-CD2 4.35Å; L115-S147 PolarHBondContact N-O 3.07Å; L115-S147 VanDerWaalsContact N-O 3.15Å; L115-G148 CarbonylContact O-C 3.56Å; L115-G148 WeakPolarHBondContact O-CA 3.49Å; L115-R149 PolarHBondContact O-N 2.67Å
116L89.1Confident83.5Confident4 Ų418.2 Ų18.22%0.02111%0.105CC..EExtended strand (participates in β ladder)trans-117.2110.8172.3-71.6168.7000107.9V18 C19 L20 A21 F92 F118 R149 F151 L239 L242V18-L116 HydrophobicContact CG1-CB 4.41Å; V18-L116 HydrophobicContact CG1-CD1 3.58Å; V18-L116 HydrophobicContact CG1-CG 3.8Å; C19-L116 PolarHBondContact O-N 3.05Å; L20-L116 CarbonylContact C-O 3.54Å; L20-L116 VanDerWaalsContact CA-O 3.31Å; L20-L116 WeakPolarHBondContact CA-O 3.06Å; L20-L116 HydrophobicContact CD1-CB 3.83Å; L20-L116 HydrophobicContact CD1-CD1 4.03Å; A21-L116 PolarHBondContact N-O 3Å; F92-L116 HydrophobicContact CD1-CD1 4.27Å; F92-L116 HydrophobicContact CE1-CD1 3.8Å; L116-F118 HydrophobicContact CB-CE2 4.35Å; L116-R149 WeakPolarHBondContact CA-O 3.42Å; L116-R149 HydrophobicContact CD2-CB 4.15Å; L116-F151 HydrophobicContact CD2-CE2 3.91Å; L116-L239 HydrophobicContact CD1-CD1 3.6Å; L116-L239 HydrophobicContact CD2-CD1 4.39Å; L116-L242 HydrophobicContact CD2-CD1 4.28Å
117A89.3Confident83.7Confident0 Ų018.1 Ų18.10%010%0.104CC..EExtended strand (participates in β ladder)trans-108.5138.3178.900000110.8A21 L23 Y134 R149 L150 F151A21-A117 HydrophobicContact CB-CB 4.37Å; A21-A117 CarbonylContact O-C 3.52Å; A21-A117 VanDerWaalsContact O-CA 3.28Å; A21-A117 WeakPolarHBondContact O-CA 3.48Å; L23-A117 HydrophobicContact CD1-CB 3.82Å; L23-A117 HydrophobicContact CG-CB 4.21Å; A117-Y134 HydrophobicContact CB-CD2 3.51Å; A117-Y134 HydrophobicContact CB-CE2 3.81Å; A117-R149 PolarHBondContact N-O 2.74Å; A117-L150 HydrophobicContact CB-CD1 3.62Å; A117-F151 PolarHBondContact O-N 3.36Å
118F88.5Confident83.9Confident3 Ų320.9 Ų20.91%0.01312%0.117CC..EExtended strand (participates in β ladder)trans-119.3135.3173.8-66.1-93000109.1L20 A21 L22 L23 F32 V35 L116 F151 L153L20-F118 HydrophobicContact CD1-CE2 3.86Å; L20-F118 HydrophobicContact CD2-CE2 4.41Å; L20-F118 HydrophobicContact CG-CD2 4.32Å; L20-F118 HydrophobicContact CG-CE2 4.11Å; A21-F118 PolarHBondContact O-N 2.96Å; L22-F118 HydrophobicContact CD1-CB 4.03Å; L23-F118 PolarHBondContact N-O 3.43Å; F32-F118 HydrophobicContact CE2-CD2 4.26Å; V35-F118 HydrophobicContact CG1-CE1 4.27Å; V35-F118 HydrophobicContact CG1-CE2 4.17Å; V35-F118 HydrophobicContact CG1-CZ 3.9Å; L116-F118 HydrophobicContact CB-CE2 4.35Å; F118-F151 WeakPolarHBondContact CA-O 3.28Å; F118-F151 HydrophobicContact CD1-CB 3.68Å; F118-F151 HydrophobicContact CD1-CD2 4.28Å; F118-F151 HydrophobicContact CD1-CG 4.21Å; F118-F151 HydrophobicContact CE1-CB 3.85Å; F118-F151 AromaticContact CE1-CD2 3.76Å; F118-F151 HydrophobicContact CE1-CD2 3.76Å; F118-F151 AromaticContact CE1-CG 3.86Å; F118-F151 HydrophobicContact CE1-CG 3.86Å; F118-F151 HydrophobicContact CE2-CD2 4.44Å; F118-F151 HydrophobicContact CG-CB 4.42Å; F118-F151 AromaticContact CZ-CD2 3.85Å; F118-F151 HydrophobicContact CZ-CD2 3.85Å; F118-F151 HydrophobicContact CZ-CE2 4.33Å; F118-F151 HydrophobicContact CZ-CG 4.42Å; F118-L153 HydrophobicContact CD1-CD1 4.35Å
119A87.4Confident84.3Confident0 Ų024.7 Ų24.70%014%0.137CC..EExtended strand (participates in β ladder)trans-144.6130.3-179.700000111.2L23 R130 L150 F151 L152 L153L23-A119 HydrophobicContact CB-CB 3.93Å; A119-R130 HydrophobicContact CB-CB 3.92Å; A119-R130 HydrophobicContact CB-CG 3.69Å; A119-L150 HydrophobicContact CB-CD1 4.38Å; A119-F151 PolarHBondContact N-O 3.45Å; A119-L152 HydrophobicContact CB-CD2 4.12Å; A119-L152 CarbonylContact O-C 3.48Å; A119-L152 WeakPolarHBondContact O-CA 3.16Å; A119-L153 PolarHBondContact O-N 2.98Å
120W83.9Confident84.6Confident31 Ų3125.2 Ų25.212%0.11714%0.138CC..EExtended strand (participates in β ladder)trans-83.9135.2171.2-72.6-94.4000110.9L22 T31 F32 L153L22-W120 HydrophobicContact CD1-CE3 4.12Å; L22-W120 HydrophobicContact CD1-CH2 3.82Å; L22-W120 HydrophobicContact CD1-CZ3 3.19Å; L22-W120 HydrophobicContact CD2-CZ3 4.12Å; L22-W120 HydrophobicContact CG-CZ3 3.98Å; T31-W120 VanDerWaalsContact OG1-CH2 3.28Å; T31-W120 WeakPolarHBondContact OG1-CH2 3.38Å; T31-W120 WeakPolarHBondContact OG1-CZ2 3.33Å; F32-W120 HydrophobicContact CB-CH2 4.32Å; W120-L153 WeakPolarHBondContact CA-O 3.07Å; W120-L153 HydrophobicContact CD2-CD1 4.16Å; W120-L153 HydrophobicContact CG-CB 4.21Å; W120-L153 HydrophobicContact CH2-CD1 4.32Å; W120-L153 HydrophobicContact CZ2-CD1 3.61Å
121C83.4Confident85Confident1 Ų124.9 Ų24.91%0.00714%0.138CC..EExtended strand (participates in β ladder)trans-132.3138.4178.7-58.30000110.3D126 I127 L153 L154 R155C121-D126 HydrophobicContact CB-CB 4.09Å; C121-I127 HydrophobicContact CB-CG1 3.81Å; C121-L153 PolarHBondContact N-O 3.49Å; C121-L154 HydrophobicContact CB-CD2 4.19Å; C121-R155 PolarHBondContact O-N 3.4Å
122S79.6Confident85.2Confident47 Ų4730.1 Ų30.133%0.32916%0.159SC..SBendtrans-117.3-25.5172.8-68.60000112D126S122-D126 PolarHBondContact N-OD2 2.97Å; S122-D126 VanDerWaalsContact N-OD2 3.16Å
123S80.7Confident85.4Confident35 Ų3532.4 Ų32.425%0.24517%0.171CC..SBendtrans-130.5163.1-175.766.60000112.8S125 D126 I127S123-S125 PolarHBondContact O-N 3.48Å; S123-S125 PolarHBondContact OG-OG 3.33Å; S123-D126 PolarHBondContact N-OD2 3.12Å; S123-D126 WeakPolarHBondContact O-CB 3.29Å; S123-D126 PolarHBondContact O-N 2.79Å; S123-D126 VanDerWaalsContact O-N 3.1Å; S123-D126 PolarHBondContact OG-N 3.13Å; S123-D126 VanDerWaalsContact OG-N 3.17Å; S123-D126 PolarHBondContact OG-OD2 2.85Å; S123-I127 PolarHBondContact O-N 3.42Å
124H82.2Confident85.6Confident79 Ų7932 Ų3237%0.36617%0.169SC..Hα-helixtrans-59.1-37.6174.2-7396.2000111.6D126 I127 E128 L164 F172H124-D126 VanDerWaalsContact C-N 3.33Å; H124-D126 PolarHBondContact O-N 2.79Å; H124-I127 PolarHBondContact O-N 3.4Å; H124-E128 PolarHBondContact O-N 3.29Å; H124-E128 VanDerWaalsContact O-N 3.15Å; H124-L164 HydrophobicContact CB-CD1 4.13Å; H124-L164 VanDerWaalsContact CE1-CD1 3.42Å; H124-L164 WeakPolarHBondContact CE1-CD1 3.43Å; H124-L164 VanDerWaalsContact CG-CD1 3.48Å; H124-L164 WeakPolarHBondContact ND1-CD1 3.35Å; H124-F172 HydrophobicContact CB-CE1 4.42Å; H124-F172 HydrophobicContact CB-CE2 4.31Å; H124-F172 HydrophobicContact CB-CZ 4.23Å; H124-F172 AromaticContact CD2-CD1 3.94Å; H124-F172 AromaticContact CD2-CD2 3.56Å; H124-F172 AromaticContact CD2-CG 3.44Å; H124-F172 VanDerWaalsContact CD2-CG 3.44Å; H124-F172 WeakPolarHBondContact CD2-CG 3.44Å; H124-F172 WeakPolarHBondContact O-CE1 3.31Å
125S81.4Confident85.6Confident80 Ų8033.6 Ų33.656%0.55918%0.177SC*.Hα-helixtrans-63-36.8174.838.90000113S123 E128 L129S123-S125 PolarHBondContact O-N 3.48Å; S123-S125 PolarHBondContact OG-OG 3.33Å; S125-E128 PolarHBondContact O-N 2.86Å; S125-L129 WeakPolarHBondContact O-CB 3.38Å; S125-L129 PolarHBondContact O-N 3.14Å; S125-L129 VanDerWaalsContact O-N 3.09Å
126D84.5Confident85.4Confident48 Ų4841 Ų4126%0.25721%0.21SC..Hα-helixtrans-64.6-45.7175.7-62.5-39.9000110.2C121 S122 S123 H124 E128 L129 R130C121-D126 HydrophobicContact CB-CB 4.09Å; S122-D126 PolarHBondContact N-OD2 2.97Å; S122-D126 VanDerWaalsContact N-OD2 3.16Å; S123-D126 PolarHBondContact N-OD2 3.12Å; S123-D126 WeakPolarHBondContact O-CB 3.29Å; S123-D126 PolarHBondContact O-N 2.79Å; S123-D126 VanDerWaalsContact O-N 3.1Å; S123-D126 PolarHBondContact OG-N 3.13Å; S123-D126 VanDerWaalsContact OG-N 3.17Å; S123-D126 PolarHBondContact OG-OD2 2.85Å; H124-D126 VanDerWaalsContact C-N 3.33Å; H124-D126 PolarHBondContact O-N 2.79Å; D126-E128 VanDerWaalsContact C-N 3.32Å; D126-E128 PolarHBondContact O-N 3.06Å; D126-L129 PolarHBondContact O-N 3.36Å; D126-L129 VanDerWaalsContact O-N 3.12Å; D126-R130 VanDerWaalsContact O-CG 3.26Å; D126-R130 WeakPolarHBondContact O-CG 3.39Å; D126-R130 PolarHBondContact O-N 3.41Å
127I84.7Confident85.1Confident0 Ų044.1 Ų44.10%022%0.224CC..Hα-helixtrans-55.6-49178.8-64.8172000110.3C121 S123 H124 L129 R130 I131 L152 L154 L164 A169 F172 I173C121-I127 HydrophobicContact CB-CG1 3.81Å; S123-I127 PolarHBondContact O-N 3.42Å; H124-I127 PolarHBondContact O-N 3.4Å; I127-L129 VanDerWaalsContact C-N 3.31Å; I127-L129 PolarHBondContact O-N 3.32Å; I127-R130 PolarHBondContact O-N 2.83Å; I127-I131 HydrophobicContact CG2-CD1 3.78Å; I127-I131 HydrophobicContact CG2-CG1 4.42Å; I127-I131 VanDerWaalsContact O-CG1 3.28Å; I127-I131 WeakPolarHBondContact O-CG1 3.4Å; I127-I131 PolarHBondContact O-N 2.6Å; I127-L152 HydrophobicContact CG2-CD1 3.95Å; I127-L154 HydrophobicContact CD1-CD2 4.49Å; I127-L164 HydrophobicContact CD1-CD1 4.19Å; I127-L164 HydrophobicContact CD1-CD2 3.92Å; I127-A169 HydrophobicContact CD1-CB 4Å; I127-F172 HydrophobicContact CB-CD1 4.3Å; I127-F172 HydrophobicContact CB-CE1 4.19Å; I127-F172 HydrophobicContact CG2-CD1 3.95Å; I127-F172 HydrophobicContact CG2-CE1 4.06Å; I127-I173 HydrophobicContact CG2-CD1 4.4Å; I127-I173 HydrophobicContact CG2-CG1 3.93Å
128E85.4Confident85Confident64 Ų6446.2 Ų46.230%0.29923%0.233SC..Hα-helixtrans-61-41.6179.2-164.4-168.7162.600111.9H124 S125 D126 K132 F172H124-E128 PolarHBondContact O-N 3.29Å; H124-E128 VanDerWaalsContact O-N 3.15Å; S125-E128 PolarHBondContact O-N 2.86Å; D126-E128 VanDerWaalsContact C-N 3.32Å; D126-E128 PolarHBondContact O-N 3.06Å; E128-K132 WeakPolarHBondContact O-CG 3.44Å; E128-K132 PolarHBondContact O-N 3.3Å; E128-K132 VanDerWaalsContact O-N 3.16Å; E128-K132 VanDerWaalsContact OE1-CE 3.3Å; E128-K132 WeakPolarHBondContact OE1-CE 3.42Å; E128-K132 IonicContact OE1-NZ 3.11Å; E128-K132 PolarHBondContact OE1-NZ 3.27Å; E128-F172 HydrophobicContact CB-CE1 4.46Å; E128-F172 HydrophobicContact CB-CZ 4.49Å
129L87Confident84.7Confident86 Ų8653.1 Ų53.145%0.4526%0.263SS..Hα-helixtrans-67-40.6178.7-169139.2000111.8S125 D126 I127 K132 D133S125-L129 WeakPolarHBondContact O-CB 3.38Å; S125-L129 PolarHBondContact O-N 3.14Å; S125-L129 VanDerWaalsContact O-N 3.09Å; D126-L129 PolarHBondContact O-N 3.36Å; D126-L129 VanDerWaalsContact O-N 3.12Å; I127-L129 VanDerWaalsContact C-N 3.31Å; I127-L129 PolarHBondContact O-N 3.32Å; L129-K132 WeakPolarHBondContact O-CB 3.45Å; L129-K132 PolarHBondContact O-N 3.14Å; L129-D133 WeakPolarHBondContact CD2-OD2 3.48Å; L129-D133 PolarHBondContact O-N 3.11Å
130R86.7Confident84.4Confident19 Ų1957.6 Ų57.67%0.07229%0.286CS..Hα-helixtrans-68.6-36.5177.5-63.9-49.6175.2-135.1-10.2113.4L23 A119 D126 I127 K132 D133 Y134 L152L23-R130 WeakPolarHBondContact O-CD 3.14Å; L23-R130 PolarHBondContact O-NE 3.27Å; A119-R130 HydrophobicContact CB-CB 3.92Å; A119-R130 HydrophobicContact CB-CG 3.69Å; D126-R130 VanDerWaalsContact O-CG 3.26Å; D126-R130 WeakPolarHBondContact O-CG 3.39Å; D126-R130 PolarHBondContact O-N 3.41Å; I127-R130 PolarHBondContact O-N 2.83Å; R130-K132 VanDerWaalsContact C-N 3.33Å; R130-D133 IonicContact NH1-OD2 3.05Å; R130-D133 PolarHBondContact NH1-OD2 2.94Å; R130-D133 PolarHBondContact O-N 3.4Å; R130-Y134 WeakPolarHBondContact O-CB 3.28Å; R130-Y134 PolarHBondContact O-N 2.8Å; R130-L152 HydrophobicContact CB-CD2 4.1Å
131I86.4Confident84.2Confident11 Ų1156.2 Ų56.26%0.05628%0.281CS..Hα-helixtrans-63.4-42.4173.3-67.2171.7000109.9I127 D133 Y134 I135 L150 I173 L183 I187I127-I131 HydrophobicContact CG2-CD1 3.78Å; I127-I131 HydrophobicContact CG2-CG1 4.42Å; I127-I131 VanDerWaalsContact O-CG1 3.28Å; I127-I131 WeakPolarHBondContact O-CG1 3.4Å; I127-I131 PolarHBondContact O-N 2.6Å; I131-D133 PolarHBondContact O-N 3.3Å; I131-Y134 WeakPolarHBondContact O-CB 3.3Å; I131-Y134 PolarHBondContact O-N 2.95Å; I131-I135 HydrophobicContact CG2-CD1 3.9Å; I131-I135 WeakPolarHBondContact O-CD1 3.41Å; I131-I135 VanDerWaalsContact O-CG1 3.25Å; I131-I135 WeakPolarHBondContact O-CG1 3.47Å; I131-I135 PolarHBondContact O-N 3.28Å; I131-L150 HydrophobicContact CG1-CD2 4.22Å; I131-I173 HydrophobicContact CD1-CG1 4.46Å; I131-L183 HydrophobicContact CG2-CD1 4.27Å; I131-I187 HydrophobicContact CD1-CD1 3.98Å; I131-I187 HydrophobicContact CG1-CD1 3.98Å; I131-I187 HydrophobicContact CG2-CD1 4.25Å
132K86.3Confident83.9Confident117 Ų11760.1 Ų60.151%0.50931%0.308SS..Hα-helixtrans-61.9-42.6174.4-72172.6-174165.90112.2E128 L129 R130 I135 K136E128-K132 WeakPolarHBondContact O-CG 3.44Å; E128-K132 PolarHBondContact O-N 3.3Å; E128-K132 VanDerWaalsContact O-N 3.16Å; E128-K132 VanDerWaalsContact OE1-CE 3.3Å; E128-K132 WeakPolarHBondContact OE1-CE 3.42Å; E128-K132 IonicContact OE1-NZ 3.11Å; E128-K132 PolarHBondContact OE1-NZ 3.27Å; L129-K132 WeakPolarHBondContact O-CB 3.45Å; L129-K132 PolarHBondContact O-N 3.14Å; R130-K132 VanDerWaalsContact C-N 3.33Å; K132-I135 PolarHBondContact O-N 3.1Å; K132-K136 WeakPolarHBondContact O-CB 3.44Å; K132-K136 PolarHBondContact O-N 3.25Å
133D86.9Confident83.7Confident48 Ų4862 Ų6226%0.25733%0.327SS..Hα-helixtrans-62.4-41.9175.6-72.4-24.2000111.8L23 L129 R130 I131 K136 Q137L23-D133 HydrophobicContact CB-CB 4.44Å; L23-D133 HydrophobicContact CD1-CB 4.33Å; L23-D133 HydrophobicContact CD2-CB 4.34Å; L129-D133 WeakPolarHBondContact CD2-OD2 3.48Å; L129-D133 PolarHBondContact O-N 3.11Å; R130-D133 IonicContact NH1-OD2 3.05Å; R130-D133 PolarHBondContact NH1-OD2 2.94Å; R130-D133 PolarHBondContact O-N 3.4Å; I131-D133 PolarHBondContact O-N 3.3Å; D133-K136 WeakPolarHBondContact O-CB 3.13Å; D133-K136 PolarHBondContact O-N 3.32Å; D133-Q137 PolarHBondContact O-N 3.21Å
134Y88.5Confident83.6Confident0 Ų061.3 Ų61.30%032%0.321CS..Hα-helixtrans-62.3-47.8176.1176.8-108.8000111.9L23 L115 A117 R130 I131 K136 Q137 K138 G148 R149 L150 L183 E186L23-Y134 HydrophobicContact CD1-CD2 4.34Å; L115-Y134 HydrophobicContact CD2-CD2 4.12Å; L115-Y134 HydrophobicContact CD2-CE2 3.54Å; L115-Y134 HydrophobicContact CG-CE2 3.99Å; A117-Y134 HydrophobicContact CB-CD2 3.51Å; A117-Y134 HydrophobicContact CB-CE2 3.81Å; R130-Y134 WeakPolarHBondContact O-CB 3.28Å; R130-Y134 PolarHBondContact O-N 2.8Å; I131-Y134 WeakPolarHBondContact O-CB 3.3Å; I131-Y134 PolarHBondContact O-N 2.95Å; Y134-K136 PolarHBondContact O-N 2.85Å; Y134-Q137 PolarHBondContact O-N 3.5Å; Y134-Q137 VanDerWaalsContact O-N 3.14Å; Y134-K138 HydrophobicContact CE1-CD 4.32Å; Y134-K138 WeakPolarHBondContact O-CB 3.5Å; Y134-K138 PolarHBondContact O-N 3.27Å; Y134-G148 WeakPolarHBondContact OH-CA 3.35Å; Y134-R149 PolarHBondContact OH-N 3.41Å; Y134-L150 HydrophobicContact CD1-CB 4.22Å; Y134-L150 HydrophobicContact CD1-CD2 4.22Å; Y134-L150 HydrophobicContact CD2-CB 3.93Å; Y134-L150 HydrophobicContact CD2-CD1 4.08Å; Y134-L150 HydrophobicContact CD2-CD2 4.49Å; Y134-L150 HydrophobicContact CD2-CG 4.39Å; Y134-L150 HydrophobicContact CE1-CB 4.3Å; Y134-L150 HydrophobicContact CE2-CB 3.99Å; Y134-L150 HydrophobicContact CG-CB 4.04Å; Y134-L150 HydrophobicContact CG-CD1 4.27Å; Y134-L150 HydrophobicContact CG-CD2 3.92Å; Y134-L150 HydrophobicContact CG-CG 4.3Å; Y134-L183 HydrophobicContact CD1-CD2 4.27Å; Y134-L183 HydrophobicContact CE1-CD2 4.05Å; Y134-E186 PolarHBondContact OH-OE2 3.38Å
135I86.6Confident83.7Confident32 Ų3258.8 Ų58.816%0.16431%0.31CS..Hα-helixtrans-59.7-38.5176.5-66162.3000110.5I131 K132 K138 K139 L183I131-I135 HydrophobicContact CG2-CD1 3.9Å; I131-I135 WeakPolarHBondContact O-CD1 3.41Å; I131-I135 VanDerWaalsContact O-CG1 3.25Å; I131-I135 WeakPolarHBondContact O-CG1 3.47Å; I131-I135 PolarHBondContact O-N 3.28Å; K132-I135 PolarHBondContact O-N 3.1Å; I135-K138 PolarHBondContact O-N 2.91Å; I135-K139 HydrophobicContact CG2-CD 4.03Å; I135-K139 HydrophobicContact CG2-CG 4.41Å; I135-K139 WeakPolarHBondContact O-CB 3.43Å; I135-K139 VanDerWaalsContact O-CG 3.27Å; I135-K139 WeakPolarHBondContact O-CG 3.31Å; I135-K139 PolarHBondContact O-N 3.43Å; I135-L183 HydrophobicContact CD1-CD1 3.68Å; I135-L183 HydrophobicContact CG1-CD1 3.89Å; I135-L183 HydrophobicContact CG1-CD2 4.27Å
136K85.4Confident83.7Confident157 Ų15757.2 Ų57.268%0.68330%0.295SS*.Hα-helixtrans-63.2-44.2176.1-174.4-177.4176.8-174.60111.7K132 D133 Y134 K139 L140K132-K136 WeakPolarHBondContact O-CB 3.44Å; K132-K136 PolarHBondContact O-N 3.25Å; D133-K136 WeakPolarHBondContact O-CB 3.13Å; D133-K136 PolarHBondContact O-N 3.32Å; Y134-K136 PolarHBondContact O-N 2.85Å; K136-K139 PolarHBondContact O-N 3.28Å; K136-L140 PolarHBondContact O-N 3.45Å; K136-L140 VanDerWaalsContact O-N 3.12Å
137Q82.6Confident83.7Confident68 Ų6855 Ų5532%0.31828%0.283SS..Hα-helixtrans-64.9-43.5174-73.7-76.5-0.800111.9L23 L115 D133 Y134 K139 L140 L141L23-Q137 HydrophobicContact CD2-CG 3.85Å; L115-Q137 HydrophobicContact CD2-CB 4.43Å; D133-Q137 PolarHBondContact O-N 3.21Å; Y134-Q137 PolarHBondContact O-N 3.5Å; Y134-Q137 VanDerWaalsContact O-N 3.14Å; Q137-K139 VanDerWaalsContact C-N 3.34Å; Q137-K139 PolarHBondContact O-N 3.17Å; Q137-L140 VanDerWaalsContact O-CB 3.29Å; Q137-L140 WeakPolarHBondContact O-CB 3.34Å; Q137-L140 PolarHBondContact O-N 3.37Å; Q137-L140 VanDerWaalsContact O-N 3.13Å; Q137-L141 PolarHBondContact O-N 3.08Å; Q137-L141 VanDerWaalsContact O-N 3.14Å
138K86.2Confident83.8Confident44 Ų4455 Ų5519%0.19128%0.283CS..Hα-helixtrans-58.2-44.7175.3-166.3179.8-175.9173.30111.3L115 Y134 I135 L140 L141 S142 L145 E186L115-K138 HydrophobicContact CD2-CB 4.34Å; Y134-K138 HydrophobicContact CE1-CD 4.32Å; Y134-K138 WeakPolarHBondContact O-CB 3.5Å; Y134-K138 PolarHBondContact O-N 3.27Å; I135-K138 PolarHBondContact O-N 2.91Å; K138-L140 VanDerWaalsContact C-N 3.33Å; K138-L140 PolarHBondContact O-N 3.3Å; K138-L141 CarbonylContact O-C 3.57Å; K138-L141 PolarHBondContact O-N 3.25Å; K138-L141 VanDerWaalsContact O-N 3.17Å; K138-S142 WeakPolarHBondContact O-CA 3.21Å; K138-S142 WeakPolarHBondContact O-CB 3.33Å; K138-S142 PolarHBondContact O-N 3.31Å; K138-L145 HydrophobicContact CB-CD2 4.45Å; K138-L145 HydrophobicContact CD-CD2 4.39Å; K138-L145 HydrophobicContact CG-CD2 3.49Å; K138-L145 VanDerWaalsContact CG-CD2 3.49Å; K138-E186 IonicContact NZ-OE1 2.74Å; K138-E186 PolarHBondContact NZ-OE1 3.07Å; K138-E186 IonicContact NZ-OE2 3.12Å; K138-E186 PolarHBondContact NZ-OE2 2.89Å
139K83.8Confident84Confident149 Ų14953.7 Ų53.765%0.64828%0.276SS*.Hα-helixtrans-61.6-38.8175.6-77.1173.5-179.6174.90112.2I135 K136 Q137 L141 S142I135-K139 HydrophobicContact CG2-CD 4.03Å; I135-K139 HydrophobicContact CG2-CG 4.41Å; I135-K139 WeakPolarHBondContact O-CB 3.43Å; I135-K139 VanDerWaalsContact O-CG 3.27Å; I135-K139 WeakPolarHBondContact O-CG 3.31Å; I135-K139 PolarHBondContact O-N 3.43Å; K136-K139 PolarHBondContact O-N 3.28Å; Q137-K139 VanDerWaalsContact C-N 3.34Å; Q137-K139 PolarHBondContact O-N 3.17Å; K139-L141 VanDerWaalsContact C-N 3.27Å; K139-L141 PolarHBondContact O-N 3.31Å; K139-S142 WeakPolarHBondContact O-CB 3.23Å; K139-S142 PolarHBondContact O-N 2.92Å; K139-S142 PolarHBondContact O-OG 3.18Å
140L79.4Confident84.1Confident93 Ų9349.6 Ų49.649%0.48725%0.254SS..Hα-helixtrans-62.2-35.1175.9-164.580000112.3P98 K136 Q137 K138P98-L140 HydrophobicContact CB-CD1 4.38Å; P98-L140 HydrophobicContact CB-CD2 4.15Å; P98-L140 HydrophobicContact CB-CG 3.87Å; P98-L140 HydrophobicContact CG-CD1 4.07Å; P98-L140 HydrophobicContact CG-CD2 3.86Å; P98-L140 HydrophobicContact CG-CG 3.91Å; K136-L140 PolarHBondContact O-N 3.45Å; K136-L140 VanDerWaalsContact O-N 3.12Å; Q137-L140 VanDerWaalsContact O-CB 3.29Å; Q137-L140 WeakPolarHBondContact O-CB 3.34Å; Q137-L140 PolarHBondContact O-N 3.37Å; Q137-L140 VanDerWaalsContact O-N 3.13Å; K138-L140 VanDerWaalsContact C-N 3.33Å; K138-L140 PolarHBondContact O-N 3.3Å
141L79.9Confident84.2Confident3 Ų348.8 Ų48.82%0.01625%0.251CS..Hα-helixtrans-98.5-3.1-177.9-61.1173.1000114.1C19 Y96 T112 L115 Q137 K138 K139 A143 T144 L145C19-L141 HydrophobicContact CB-CD1 4.29Å; Y96-L141 HydrophobicContact CD1-CD2 3.54Å; Y96-L141 HydrophobicContact CE1-CD2 3.73Å; T112-L141 HydrophobicContact CG2-CD1 4.12Å; T112-L141 HydrophobicContact CG2-CD2 4.44Å; L115-L141 HydrophobicContact CB-CD1 4.49Å; L115-L141 HydrophobicContact CD1-CD1 3.9Å; L115-L141 HydrophobicContact CD2-CD1 4.38Å; L115-L141 HydrophobicContact CG-CD1 4.48Å; Q137-L141 PolarHBondContact O-N 3.08Å; Q137-L141 VanDerWaalsContact O-N 3.14Å; K138-L141 CarbonylContact O-C 3.57Å; K138-L141 PolarHBondContact O-N 3.25Å; K138-L141 VanDerWaalsContact O-N 3.17Å; K139-L141 VanDerWaalsContact C-N 3.27Å; K139-L141 PolarHBondContact O-N 3.31Å; L141-A143 PolarHBondContact O-N 3.27Å; L141-T144 PolarHBondContact O-N 2.93Å; L141-T144 VanDerWaalsContact O-N 3.13Å; L141-T144 PolarHBondContact O-OG1 2.58Å; L141-L145 HydrophobicContact CB-CB 4.31Å; L141-L145 WeakPolarHBondContact O-CB 3.27Å; L141-L145 PolarHBondContact O-N 2.79Å
142S77.9Confident84.2Confident82 Ų8248.2 Ų48.257%0.57325%0.249SC*.THydrogen-bonded Turntrans-56.5-22-170.459.40000115.8K138 K139 T144K138-S142 WeakPolarHBondContact O-CA 3.21Å; K138-S142 WeakPolarHBondContact O-CB 3.33Å; K138-S142 PolarHBondContact O-N 3.31Å; K139-S142 WeakPolarHBondContact O-CB 3.23Å; K139-S142 PolarHBondContact O-N 2.92Å; K139-S142 PolarHBondContact O-OG 3.18Å; S142-T144 PolarHBondContact O-N 3.27Å
143A74.6Confident84.1Confident86 Ų8642.7 Ų42.771%0.71123%0.225SC*.THydrogen-bonded Turntrans-65.2-26.3179.200000113.7L141L141-A143 PolarHBondContact O-N 3.27Å
144T79.8Confident83.9Confident21 Ų2140.8 Ų40.813%0.12921%0.214CC..THydrogen-bonded Turntrans-133.5-17-172.348.10000113.5N101 S104 A111 T112 L141 S142 I146N101-T144 HydrophobicContact CB-CG2 3.97Å; N101-T144 PolarHBondContact ND2-OG1 3.37Å; N101-T144 PolarHBondContact OD1-OG1 3.27Å; S104-T144 WeakPolarHBondContact OG-CG2 3.34Å; A111-T144 HydrophobicContact CB-CG2 3.88Å; T112-T144 CarbonylContact O-C 3.49Å; T112-T144 PolarHBondContact O-OG1 3.43Å; L141-T144 PolarHBondContact O-N 2.93Å; L141-T144 VanDerWaalsContact O-N 3.13Å; L141-T144 PolarHBondContact O-OG1 2.58Å; S142-T144 PolarHBondContact O-N 3.27Å; T144-I146 PolarHBondContact O-N 2.95Å
145L82.9Confident83Confident26 Ų2646.8 Ų46.814%0.13624%0.237CC..  trans-63.2125.4-179.4-172.572.9000111.1L115 K138 L141 S147L115-L145 HydrophobicContact CB-CD1 3.56Å; L115-L145 HydrophobicContact CB-CD2 4.35Å; K138-L145 HydrophobicContact CB-CD2 4.45Å; K138-L145 HydrophobicContact CD-CD2 4.39Å; K138-L145 HydrophobicContact CG-CD2 3.49Å; K138-L145 VanDerWaalsContact CG-CD2 3.49Å; L141-L145 HydrophobicContact CB-CB 4.31Å; L141-L145 WeakPolarHBondContact O-CB 3.27Å; L141-L145 PolarHBondContact O-N 2.79Å; L145-S147 WeakPolarHBondContact CD1-O 3.08Å
146I81.6Confident81.6Confident47 Ų4748 Ų4824%0.24125%0.247CC..  trans-93.9-46.6173.7-70.1-178.2000110.7V113 T144 I246 N249 L250V113-I146 HydrophobicContact CG1-CB 3.73Å; V113-I146 HydrophobicContact CG1-CD1 3.3Å; V113-I146 HydrophobicContact CG1-CG1 3.53Å; V113-I146 PolarHBondContact O-N 3.08Å; T144-I146 PolarHBondContact O-N 2.95Å; I146-I246 HydrophobicContact CB-CG1 4.5Å; I146-I246 HydrophobicContact CG2-CG1 4.39Å; I146-N249 HydrophobicContact CD1-CB 4.25Å; I146-N249 HydrophobicContact CG2-CB 3.62Å; I146-N249 WeakPolarHBondContact CG2-ND2 3.23Å; I146-L250 HydrophobicContact CD1-CD2 3.88Å; I146-L250 HydrophobicContact CD1-CG 4.03Å
147S84.1Confident80Confident2 Ų247 Ų471%0.01425%0.248CC..EExtended strand (participates in β ladder)trans-148.2150.4-176.8178.30000110.5V113 G114 L115 L145 E245V113-S147 PolarHBondContact O-N 3.28Å; G114-S147 WeakPolarHBondContact CA-O 3.36Å; L115-S147 PolarHBondContact N-O 3.07Å; L115-S147 VanDerWaalsContact N-O 3.15Å; L145-S147 WeakPolarHBondContact CD1-O 3.08Å; S147-E245 WeakPolarHBondContact CB-OE2 3.37Å; S147-E245 PolarHBondContact OG-OE2 2.99Å
148G88Confident78.4Confident0 Ų048 Ų480%026%0.263CS..EExtended strand (participates in β ladder)trans-140.8157.3174.700000112.4L115 Y134 E186L115-G148 CarbonylContact O-C 3.56Å; L115-G148 WeakPolarHBondContact O-CA 3.49Å; Y134-G148 WeakPolarHBondContact OH-CA 3.35Å; G148-E186 WeakPolarHBondContact O-CG 3.34Å
149R89.5Confident76.8Confident36 Ų3654 Ų5414%0.13630%0.297CS..EExtended strand (participates in β ladder)trans-132.8139.8170.5-59.9-69.1172141.62.8110.1L115 L116 A117 Y134 F151 G185 E186 L242L115-R149 PolarHBondContact O-N 2.67Å; L116-R149 WeakPolarHBondContact CA-O 3.42Å; L116-R149 HydrophobicContact CD2-CB 4.15Å; A117-R149 PolarHBondContact N-O 2.74Å; Y134-R149 PolarHBondContact OH-N 3.41Å; R149-F151 HydrophobicContact CB-CE2 4Å; R149-F151 HydrophobicContact CB-CZ 4.47Å; R149-G185 PolarHBondContact NH1-O 3.1Å; R149-E186 CarbonylContact C-O 3.51Å; R149-E186 VanDerWaalsContact CA-O 3.28Å; R149-E186 WeakPolarHBondContact CA-O 3.41Å; R149-L242 HydrophobicContact CB-CD1 4.43Å; R149-L242 HydrophobicContact CG-CB 4.39Å; R149-L242 HydrophobicContact CG-CD1 3.76Å
150L89.6Confident75.1Confident0 Ų054.3 Ų54.30%030%0.301CS..EExtended strand (participates in β ladder)trans-111.7124.3172174.463.2000108.7L23 A117 A119 I131 Y134 L152 E186 I187 N188L23-L150 HydrophobicContact CD1-CD1 3.8Å; A117-L150 HydrophobicContact CB-CD1 3.62Å; A119-L150 HydrophobicContact CB-CD1 4.38Å; I131-L150 HydrophobicContact CG1-CD2 4.22Å; Y134-L150 HydrophobicContact CD1-CB 4.22Å; Y134-L150 HydrophobicContact CD1-CD2 4.22Å; Y134-L150 HydrophobicContact CD2-CB 3.93Å; Y134-L150 HydrophobicContact CD2-CD1 4.08Å; Y134-L150 HydrophobicContact CD2-CD2 4.49Å; Y134-L150 HydrophobicContact CD2-CG 4.39Å; Y134-L150 HydrophobicContact CE1-CB 4.3Å; Y134-L150 HydrophobicContact CE2-CB 3.99Å; Y134-L150 HydrophobicContact CG-CB 4.04Å; Y134-L150 HydrophobicContact CG-CD1 4.27Å; Y134-L150 HydrophobicContact CG-CD2 3.92Å; Y134-L150 HydrophobicContact CG-CG 4.3Å; L150-L152 HydrophobicContact CD1-CD2 4.3Å; L150-L152 HydrophobicContact CD2-CD2 3.89Å; L150-L152 HydrophobicContact CD2-CG 4.32Å; L150-L152 HydrophobicContact CG-CD2 4Å; L150-L152 HydrophobicContact CG-CG 4.26Å; L150-E186 PolarHBondContact N-O 3.11Å; L150-I187 HydrophobicContact CB-CG1 4.36Å; L150-I187 HydrophobicContact CD2-CG1 4.23Å; L150-I187 HydrophobicContact CD2-CG2 4.24Å; L150-N188 PolarHBondContact O-N 2.73Å
151F87.8Confident73.9Confident2 Ų257.8 Ų57.81%0.00932%0.32CS..EExtended strand (participates in β ladder)trans-103.4112.6173.4-67.2-84.7000109.5L116 A117 F118 A119 R149 N188 I235 L238L116-F151 HydrophobicContact CD2-CE2 3.91Å; A117-F151 PolarHBondContact O-N 3.36Å; F118-F151 WeakPolarHBondContact CA-O 3.28Å; F118-F151 HydrophobicContact CD1-CB 3.68Å; F118-F151 HydrophobicContact CD1-CD2 4.28Å; F118-F151 HydrophobicContact CD1-CG 4.21Å; F118-F151 HydrophobicContact CE1-CB 3.85Å; F118-F151 AromaticContact CE1-CD2 3.76Å; F118-F151 HydrophobicContact CE1-CD2 3.76Å; F118-F151 AromaticContact CE1-CG 3.86Å; F118-F151 HydrophobicContact CE1-CG 3.86Å; F118-F151 HydrophobicContact CE2-CD2 4.44Å; F118-F151 HydrophobicContact CG-CB 4.42Å; F118-F151 AromaticContact CZ-CD2 3.85Å; F118-F151 HydrophobicContact CZ-CD2 3.85Å; F118-F151 HydrophobicContact CZ-CE2 4.33Å; F118-F151 HydrophobicContact CZ-CG 4.42Å; A119-F151 PolarHBondContact N-O 3.45Å; R149-F151 HydrophobicContact CB-CE2 4Å; R149-F151 HydrophobicContact CB-CZ 4.47Å; F151-N188 WeakPolarHBondContact CA-O 3.32Å; F151-N188 HydrophobicContact CD1-CB 4.27Å; F151-N188 HydrophobicContact CE1-CB 4.4Å; F151-I235 HydrophobicContact CD1-CG1 4.21Å; F151-I235 HydrophobicContact CE1-CB 4.29Å; F151-I235 HydrophobicContact CE1-CG1 3.93Å; F151-I235 HydrophobicContact CE1-CG2 4.09Å; F151-I235 HydrophobicContact CE2-CG2 4.44Å; F151-I235 HydrophobicContact CZ-CG2 3.93Å; F151-L238 HydrophobicContact CE1-CB 4.29Å; F151-L238 HydrophobicContact CE1-CD1 3.53Å; F151-L238 HydrophobicContact CZ-CB 3.91Å; F151-L238 HydrophobicContact CZ-CD1 3.99Å
152L86.6Confident72.7Confident0 Ų064.8 Ų64.80%036%0.357CS..EExtended strand (participates in β ladder)trans-92.2110.2174.2-61.2174.9000108.7A119 I127 R130 L150 I173 I187 N188 H190A119-L152 HydrophobicContact CB-CD2 4.12Å; A119-L152 CarbonylContact O-C 3.48Å; A119-L152 WeakPolarHBondContact O-CA 3.16Å; I127-L152 HydrophobicContact CG2-CD1 3.95Å; R130-L152 HydrophobicContact CB-CD2 4.1Å; L150-L152 HydrophobicContact CD1-CD2 4.3Å; L150-L152 HydrophobicContact CD2-CD2 3.89Å; L150-L152 HydrophobicContact CD2-CG 4.32Å; L150-L152 HydrophobicContact CG-CD2 4Å; L150-L152 HydrophobicContact CG-CG 4.26Å; L152-I173 HydrophobicContact CD1-CD1 3.47Å; L152-I173 VanDerWaalsContact CD1-CD1 3.47Å; L152-I173 HydrophobicContact CD1-CG1 4.23Å; L152-I187 HydrophobicContact CD1-CG2 3.61Å; L152-I187 HydrophobicContact CG-CG2 4.13Å; L152-N188 PolarHBondContact N-O 3.22Å; L152-H190 PolarHBondContact O-N 2.68Å; L152-H190 VanDerWaalsContact O-O 3.13Å
153L84.8Confident71.9Confident1 Ų162.4 Ų62.41%0.00534%0.341CS..EExtended strand (participates in β ladder)trans-90.7107.4-179.3-57.3179.7000109.6F118 A119 W120 C121 H190 L195F118-L153 HydrophobicContact CD1-CD1 4.35Å; A119-L153 PolarHBondContact O-N 2.98Å; W120-L153 WeakPolarHBondContact CA-O 3.07Å; W120-L153 HydrophobicContact CD2-CD1 4.16Å; W120-L153 HydrophobicContact CG-CB 4.21Å; W120-L153 HydrophobicContact CH2-CD1 4.32Å; W120-L153 HydrophobicContact CZ2-CD1 3.61Å; C121-L153 PolarHBondContact N-O 3.49Å; L153-H190 VanDerWaalsContact CA-O 3.32Å; L153-H190 WeakPolarHBondContact CA-O 3.45Å; L153-H190 HydrophobicContact CD2-CB 4.15Å; L153-L195 HydrophobicContact CD1-CD1 3.77Å; L153-L195 HydrophobicContact CD2-CD1 3.48Å; L153-L195 VanDerWaalsContact CD2-CD1 3.48Å; L153-L195 HydrophobicContact CG-CD1 4.28Å
154L81.6Confident71.7Confident8 Ų859.2 Ų59.24%0.04231%0.311CS..EExtended strand (participates in β ladder)trans-84.1122.1180-59.3174.9000109.7C121 I127 V166 A169 H190 S192C121-L154 HydrophobicContact CB-CD2 4.19Å; I127-L154 HydrophobicContact CD1-CD2 4.49Å; L154-V166 HydrophobicContact CD1-CB 4.34Å; L154-V166 HydrophobicContact CD1-CG2 3.93Å; L154-A169 HydrophobicContact CD1-CB 3.73Å; L154-A169 HydrophobicContact CD2-CB 4.18Å; L154-H190 PolarHBondContact N-O 3.12Å; L154-S192 WeakPolarHBondContact O-CB 3.04Å; L154-S192 PolarHBondContact O-N 2.95Å; L154-S192 PolarHBondContact O-OG 3.02Å; L154-S192 VanDerWaalsContact O-OG 3.04Å
155R71.3Confident71.5Confident126 Ų12660 Ų6048%0.47532%0.318SS..PPolyproline II helixtrans-67.5143.5175.5-77.4-175.8-180158.8-1.7110.3C121C121-R155 PolarHBondContact O-N 3.4Å
156P57.3Low71.3Confident56 Ų5661 Ų6136%0.36433%0.325SS..PPolyproline II helixtrans-67.4158.4-178.827.8-35.3000113S158 S192 E193P156-S158 VanDerWaalsContact C-N 3.31Å; P156-S158 PolarHBondContact O-N 3.49Å; P156-S192 WeakPolarHBondContact CD-OG 3.27Å; P156-E193 HydrophobicContact CB-CG 3.94Å; P156-E193 WeakPolarHBondContact CB-OE1 3.5Å; P156-E193 HydrophobicContact CG-CG 3.88Å; P156-E193 WeakPolarHBondContact CG-OE1 3.48Å
157L51.6Low71Confident138 Ų13865.5 Ų65.572%0.72335%0.345SS*.  trans-6186176.9-66.795.2000110.4S163L157-S163 WeakPolarHBondContact CA-OG 3.22Å; L157-S163 WeakPolarHBondContact CB-OG 3.14Å; L157-S163 WeakPolarHBondContact CD2-OG 3.09Å; L157-S163 WeakPolarHBondContact CG-OG 3.44Å
158S49.1Very low70.8Confident89 Ų8970 Ų7062%0.62237%0.366SS*.  trans-65.6136.5154.653.30000107.2P156 E160P156-S158 VanDerWaalsContact C-N 3.31Å; P156-S158 PolarHBondContact O-N 3.49Å; S158-E160 PolarHBondContact O-N 3.27Å
159N51.6Low70.6Confident169 Ų16970 Ų7090%0.90437%0.366SS*.SBendtrans-44.17.1-170.5-71.7-20.7000119.8
160E48.5Very low70.3Confident156 Ų15671.7 Ų71.773%0.72938%0.377SS*.SBendtrans-92.4133.4169.6-60.4-167.7166.300109.8S158 D162S158-E160 PolarHBondContact O-N 3.27Å; E160-D162 PolarHBondContact O-N 3.26Å
161N54Low69.9Low165 Ų16574.6 Ų74.688%0.88240%0.401SS*.THydrogen-bonded Turntrans-63.415.2-167.9-67.2-30.9000116.7
162D55.1Low69.7Low150 Ų15076.7 Ų76.780%0.80241%0.411SS*.THydrogen-bonded Turntrans-111.117.4-170.9-76.6-13000114.1E160E160-D162 PolarHBondContact O-N 3.26Å
163S60.1Low69.5Low33 Ų3377 Ų7723%0.23141%0.412CS..PPolyproline II helixtrans-90.3130.1-177.937.20000112.6L157L157-S163 WeakPolarHBondContact CA-OG 3.22Å; L157-S163 WeakPolarHBondContact CB-OG 3.14Å; L157-S163 WeakPolarHBondContact CD2-OG 3.09Å; L157-S163 WeakPolarHBondContact CG-OG 3.44Å
164L71.2Confident69.3Low18 Ų1880.6 Ų80.69%0.09444%0.438CS..PPolyproline II helixtrans-86.7121.6-169.9-149.9148.3000110.8H124 I127 E168 A169H124-L164 HydrophobicContact CB-CD1 4.13Å; H124-L164 VanDerWaalsContact CE1-CD1 3.42Å; H124-L164 WeakPolarHBondContact CE1-CD1 3.43Å; H124-L164 VanDerWaalsContact CG-CD1 3.48Å; H124-L164 WeakPolarHBondContact ND1-CD1 3.35Å; I127-L164 HydrophobicContact CD1-CD1 4.19Å; I127-L164 HydrophobicContact CD1-CD2 3.92Å; L164-E168 HydrophobicContact CD2-CB 4.15Å; L164-A169 VanDerWaalsContact CD2-CA 3.44Å; L164-A169 HydrophobicContact CD2-CB 3.43Å; L164-A169 VanDerWaalsContact CD2-CB 3.43Å
165S75.8Confident69.3Low39 Ų3985.8 Ų85.827%0.27346%0.461SS..PPolyproline II helixtrans-72.4159.9178.963.90000112.5E167 E168 A169S165-E167 VanDerWaalsContact C-N 3.28Å; S165-E167 PolarHBondContact O-N 3.36Å; S165-E168 PolarHBondContact N-OE2 2.97Å; S165-E168 PolarHBondContact O-N 3.4Å; S165-E168 VanDerWaalsContact OG-CB 3.28Å; S165-E168 WeakPolarHBondContact OG-CB 3.2Å; S165-E168 WeakPolarHBondContact OG-CG 3.38Å; S165-E168 PolarHBondContact OG-N 2.88Å; S165-E168 PolarHBondContact OG-OE2 3.46Å; S165-A169 WeakPolarHBondContact O-CB 3.02Å; S165-A169 PolarHBondContact O-N 3.22Å
166V78.2Confident69.5Low45 Ų4582.4 Ų82.427%0.27345%0.45SS..Hα-helixtrans-63.5-37.6178.5178.30000110.6L154 N170 C189L154-V166 HydrophobicContact CD1-CB 4.34Å; L154-V166 HydrophobicContact CD1-CG2 3.93Å; V166-N170 WeakPolarHBondContact O-CB 3.5Å; V166-N170 PolarHBondContact O-N 3.16Å; V166-N170 PolarHBondContact O-ND2 3.36Å; V166-C189 HydrophobicContact CG1-CB 4.46Å
167E76.2Confident70.3Confident142 Ų14280.6 Ų80.666%0.66444%0.438SS*.Hα-helixtrans-65.6-45.8176.8-63.777.9-164.300111.7S165 N170 A171S165-E167 VanDerWaalsContact C-N 3.28Å; S165-E167 PolarHBondContact O-N 3.36Å; E167-N170 PolarHBondContact O-N 2.94Å; E167-A171 WeakPolarHBondContact O-CB 3.37Å; E167-A171 PolarHBondContact O-N 3.08Å
168E79.8Confident71.4Confident98 Ų9883.4 Ų83.446%0.45844%0.438SS..Hα-helixtrans-62.3-43.1175.8-74163.5162.600111.6L164 S165 N170 A171 F172L164-E168 HydrophobicContact CD2-CB 4.15Å; S165-E168 PolarHBondContact N-OE2 2.97Å; S165-E168 PolarHBondContact O-N 3.4Å; S165-E168 VanDerWaalsContact OG-CB 3.28Å; S165-E168 WeakPolarHBondContact OG-CB 3.2Å; S165-E168 WeakPolarHBondContact OG-CG 3.38Å; S165-E168 PolarHBondContact OG-N 2.88Å; S165-E168 PolarHBondContact OG-OE2 3.46Å; E168-N170 PolarHBondContact O-N 3.23Å; E168-A171 PolarHBondContact O-N 3.25Å; E168-F172 WeakPolarHBondContact O-CB 3.32Å; E168-F172 PolarHBondContact O-N 3.11Å
169A82Confident72.4Confident0 Ų085.2 Ų85.20%044%0.437CS..Hα-helixtrans-59.8-47.4176.500000111.3I127 L154 L164 S165 F172 I173I127-A169 HydrophobicContact CD1-CB 4Å; L154-A169 HydrophobicContact CD1-CB 3.73Å; L154-A169 HydrophobicContact CD2-CB 4.18Å; L164-A169 VanDerWaalsContact CD2-CA 3.44Å; L164-A169 HydrophobicContact CD2-CB 3.43Å; L164-A169 VanDerWaalsContact CD2-CB 3.43Å; S165-A169 WeakPolarHBondContact O-CB 3.02Å; S165-A169 PolarHBondContact O-N 3.22Å; A169-F172 PolarHBondContact O-N 2.91Å; A169-I173 WeakPolarHBondContact O-CB 3.1Å; A169-I173 VanDerWaalsContact O-CD1 3.31Å; A169-I173 WeakPolarHBondContact O-CD1 3.35Å; A169-I173 WeakPolarHBondContact O-CG1 3.49Å; A169-I173 PolarHBondContact O-N 2.88Å
170N83.4Confident73.2Confident70 Ų7081.1 Ų81.137%0.37442%0.415SS..Hα-helixtrans-66.3-37178.9-77-30.7000112.2V166 E167 E168 S174 C189V166-N170 WeakPolarHBondContact O-CB 3.5Å; V166-N170 PolarHBondContact O-N 3.16Å; V166-N170 PolarHBondContact O-ND2 3.36Å; E167-N170 PolarHBondContact O-N 2.94Å; E168-N170 PolarHBondContact O-N 3.23Å; N170-S174 VanDerWaalsContact O-CB 3.29Å; N170-S174 WeakPolarHBondContact O-CB 3.36Å; N170-S174 PolarHBondContact O-N 3.25Å; N170-S174 PolarHBondContact O-OG 3.14Å; N170-C189 WeakPolarHBondContact OD1-CB 3.25Å
171A82.2Confident74.2Confident61 Ų6178.2 Ų78.250%0.50441%0.412SS..Hα-helixtrans-63.2-47.3174.600000110.9E167 E168 S174 E175E167-A171 WeakPolarHBondContact O-CB 3.37Å; E167-A171 PolarHBondContact O-N 3.08Å; E168-A171 PolarHBondContact O-N 3.25Å; A171-S174 PolarHBondContact O-N 2.93Å; A171-E175 PolarHBondContact O-N 3.19Å
172F82.4Confident75Confident47 Ų4778.4 Ų78.421%0.20641%0.408CS..Hα-helixtrans-62.8-42.7176.5-177.7-105.8000112.6H124 I127 E128 E168 A169 E175 K176H124-F172 HydrophobicContact CB-CE1 4.42Å; H124-F172 HydrophobicContact CB-CE2 4.31Å; H124-F172 HydrophobicContact CB-CZ 4.23Å; H124-F172 AromaticContact CD2-CD1 3.94Å; H124-F172 AromaticContact CD2-CD2 3.56Å; H124-F172 AromaticContact CD2-CG 3.44Å; H124-F172 VanDerWaalsContact CD2-CG 3.44Å; H124-F172 WeakPolarHBondContact CD2-CG 3.44Å; H124-F172 WeakPolarHBondContact O-CE1 3.31Å; I127-F172 HydrophobicContact CB-CD1 4.3Å; I127-F172 HydrophobicContact CB-CE1 4.19Å; I127-F172 HydrophobicContact CG2-CD1 3.95Å; I127-F172 HydrophobicContact CG2-CE1 4.06Å; E128-F172 HydrophobicContact CB-CE1 4.46Å; E128-F172 HydrophobicContact CB-CZ 4.49Å; E168-F172 WeakPolarHBondContact O-CB 3.32Å; E168-F172 PolarHBondContact O-N 3.11Å; A169-F172 PolarHBondContact O-N 2.91Å; F172-E175 PolarHBondContact O-N 3.4Å; F172-K176 PolarHBondContact O-N 3.44Å
173I82.5Confident75.8Confident6 Ų671.9 Ų71.93%0.03137%0.373CS..Hα-helixtrans-64-42.3175.8-70160.7000110.7I127 I131 L152 A169 E175 K176 L177 I187 C189I127-I173 HydrophobicContact CG2-CD1 4.4Å; I127-I173 HydrophobicContact CG2-CG1 3.93Å; I131-I173 HydrophobicContact CD1-CG1 4.46Å; L152-I173 HydrophobicContact CD1-CD1 3.47Å; L152-I173 VanDerWaalsContact CD1-CD1 3.47Å; L152-I173 HydrophobicContact CD1-CG1 4.23Å; A169-I173 WeakPolarHBondContact O-CB 3.1Å; A169-I173 VanDerWaalsContact O-CD1 3.31Å; A169-I173 WeakPolarHBondContact O-CD1 3.35Å; A169-I173 WeakPolarHBondContact O-CG1 3.49Å; A169-I173 PolarHBondContact O-N 2.88Å; I173-E175 VanDerWaalsContact C-N 3.31Å; I173-E175 PolarHBondContact O-N 3.41Å; I173-K176 CarbonylContact O-C 3.54Å; I173-K176 PolarHBondContact O-N 3.46Å; I173-K176 VanDerWaalsContact O-N 3.16Å; I173-L177 HydrophobicContact CG2-CD1 3.56Å; I173-L177 HydrophobicContact CG2-CG 3.9Å; I173-L177 VanDerWaalsContact O-CB 3.28Å; I173-L177 WeakPolarHBondContact O-CB 3.23Å; I173-L177 WeakPolarHBondContact O-CG 3.19Å; I173-L177 PolarHBondContact O-N 3.41Å; I173-I187 HydrophobicContact CD1-CG2 4.14Å; I173-I187 HydrophobicContact CG2-CB 4.36Å; I173-I187 HydrophobicContact CG2-CG2 4.1Å; I173-C189 WeakPolarHBondContact CD1-SG 3.33Å
174S80.6Confident76.2Confident77 Ų7776.1 Ų76.154%0.53839%0.392SS..Hα-helixtrans-63.2-39.2177.8-60.50000111.7N170 A171 R178N170-S174 VanDerWaalsContact O-CB 3.29Å; N170-S174 WeakPolarHBondContact O-CB 3.36Å; N170-S174 PolarHBondContact O-N 3.25Å; N170-S174 PolarHBondContact O-OG 3.14Å; A171-S174 PolarHBondContact O-N 2.93Å; S174-R178 PolarHBondContact O-N 3.41Å
175E81.5Confident76.3Confident116 Ų11677.3 Ų77.354%0.54241%0.409SS..Hα-helixtrans-62-43.4172.7-174.7173-16400111.4A171 F172 I173 R178A171-E175 PolarHBondContact O-N 3.19Å; F172-E175 PolarHBondContact O-N 3.4Å; I173-E175 VanDerWaalsContact C-N 3.31Å; I173-E175 PolarHBondContact O-N 3.41Å; E175-R178 WeakPolarHBondContact O-CB 3.38Å; E175-R178 PolarHBondContact O-N 2.9Å
176K76.2Confident76.6Confident56 Ų5676.8 Ų76.824%0.24340%0.402CS..Hα-helixtrans-72.3-37.3179.7-160.864178169.20113.6F172 I173 R178 E179 D180F172-K176 PolarHBondContact O-N 3.44Å; I173-K176 CarbonylContact O-C 3.54Å; I173-K176 PolarHBondContact O-N 3.46Å; I173-K176 VanDerWaalsContact O-N 3.16Å; K176-R178 PolarHBondContact O-N 2.63Å; K176-E179 WeakPolarHBondContact CD-OE2 3.44Å; K176-E179 WeakPolarHBondContact CE-OE2 3.47Å; K176-E179 IonicContact NZ-OE1 2.75Å; K176-E179 IonicContact NZ-OE2 2.95Å; K176-E179 PolarHBondContact NZ-OE2 3.34Å; K176-E179 VanDerWaalsContact O-CB 3.32Å; K176-E179 WeakPolarHBondContact O-CB 3.41Å; K176-E179 PolarHBondContact O-N 3.38Å; K176-D180 PolarHBondContact O-N 2.89Å
177L74.3Confident77Confident18 Ų1875.3 Ų75.39%0.09439%0.393CS..Hα-helixtrans-66.3-23.9176.1-76.5176.5000112.6I173 E179 D180 S181 L183 L184 I187I173-L177 HydrophobicContact CG2-CD1 3.56Å; I173-L177 HydrophobicContact CG2-CG 3.9Å; I173-L177 VanDerWaalsContact O-CB 3.28Å; I173-L177 WeakPolarHBondContact O-CB 3.23Å; I173-L177 WeakPolarHBondContact O-CG 3.19Å; I173-L177 PolarHBondContact O-N 3.41Å; L177-E179 PolarHBondContact O-N 2.86Å; L177-D180 CarbonylContact O-C 3.54Å; L177-D180 VanDerWaalsContact O-C 3.24Å; L177-D180 PolarHBondContact O-N 3.47Å; L177-S181 PolarHBondContact O-N 2.94Å; L177-L183 HydrophobicContact CD2-CB 3.31Å; L177-L184 HydrophobicContact CB-CD1 4.29Å; L177-L184 HydrophobicContact CD1-CG 4.48Å; L177-I187 HydrophobicContact CD2-CD1 3.96Å
178R74Confident77.4Confident196 Ų19670.4 Ų70.474%0.7437%0.371SS*.THydrogen-bonded Turntrans-63.4-25.4170.9-166.9177.464.8-168.3-4.9112S174 E175 K176S174-R178 PolarHBondContact O-N 3.41Å; E175-R178 WeakPolarHBondContact O-CB 3.38Å; E175-R178 PolarHBondContact O-N 2.9Å; K176-R178 PolarHBondContact O-N 2.63Å
179E70.5Confident77.5Confident128 Ų12866.6 Ų66.660%0.59836%0.355SS*.THydrogen-bonded Turntrans-79.6-41.9174.1-56-178.5165.900111.7K176 L177K176-E179 WeakPolarHBondContact CD-OE2 3.44Å; K176-E179 WeakPolarHBondContact CE-OE2 3.47Å; K176-E179 IonicContact NZ-OE1 2.75Å; K176-E179 IonicContact NZ-OE2 2.95Å; K176-E179 PolarHBondContact NZ-OE2 3.34Å; K176-E179 VanDerWaalsContact O-CB 3.32Å; K176-E179 WeakPolarHBondContact O-CB 3.41Å; K176-E179 PolarHBondContact O-N 3.38Å; L177-E179 PolarHBondContact O-N 2.86Å
180D69Low77.5Confident83 Ų8367 Ų6744%0.44436%0.357SS..  trans-117.380-177.7-78.6-25.2000112.1K176 L177 E182 L183K176-D180 PolarHBondContact O-N 2.89Å; L177-D180 CarbonylContact O-C 3.54Å; L177-D180 VanDerWaalsContact O-C 3.24Å; L177-D180 PolarHBondContact O-N 3.47Å; D180-E182 PolarHBondContact O-N 3.19Å; D180-L183 HydrophobicContact CB-CD1 3.98Å; D180-L183 PolarHBondContact O-N 3.36Å; D180-L183 VanDerWaalsContact O-N 3.14Å
181S69.7Low77.2Confident95 Ų9565.3 Ų65.366%0.66435%0.35SS*.G310 helixtrans-57.1-18.8-176.665.20000115.8L177 L183 L184L177-S181 PolarHBondContact O-N 2.94Å; S181-L183 VanDerWaalsContact C-N 3.29Å; S181-L183 PolarHBondContact O-N 3.48Å; S181-L184 WeakPolarHBondContact O-CB 3.45Å
182E69.6Low76.6Confident169 Ų16963.7 Ų63.779%0.7934%0.335SS*.G310 helixtrans-72.6-17.1179.2-67.6-172.217200114.1D180D180-E182 PolarHBondContact O-N 3.19Å
183L72Confident75.9Confident12 Ų1267.7 Ų67.76%0.06335%0.354CS..G310 helixtrans-94.6-1.1-178-68.2167.3000112.8I131 Y134 I135 L177 D180 S181 G185 E186 I187I131-L183 HydrophobicContact CG2-CD1 4.27Å; Y134-L183 HydrophobicContact CD1-CD2 4.27Å; Y134-L183 HydrophobicContact CE1-CD2 4.05Å; I135-L183 HydrophobicContact CD1-CD1 3.68Å; I135-L183 HydrophobicContact CG1-CD1 3.89Å; I135-L183 HydrophobicContact CG1-CD2 4.27Å; L177-L183 HydrophobicContact CD2-CB 3.31Å; D180-L183 HydrophobicContact CB-CD1 3.98Å; D180-L183 PolarHBondContact O-N 3.36Å; D180-L183 VanDerWaalsContact O-N 3.14Å; S181-L183 VanDerWaalsContact C-N 3.29Å; S181-L183 PolarHBondContact O-N 3.48Å; L183-G185 PolarHBondContact O-N 3.44Å; L183-E186 PolarHBondContact O-N 3.21Å; L183-E186 VanDerWaalsContact O-N 3.08Å; L183-I187 HydrophobicContact CB-CD1 4.29Å
184L68.2Low75.4Confident122 Ų12272.4 Ų72.464%0.63938%0.375SS*.THydrogen-bonded Turntrans-67.7116-171.5-141.6133.1000110.3L177 S181L177-L184 HydrophobicContact CB-CD1 4.29Å; L177-L184 HydrophobicContact CD1-CG 4.48Å; S181-L184 WeakPolarHBondContact O-CB 3.45Å
185G73.4Confident75Confident43 Ų4369.1 Ų69.144%0.44335%0.352SS..THydrogen-bonded Turntrans92.8-11.1-175.900000115.6R149 L183R149-G185 PolarHBondContact NH1-O 3.1Å; L183-G185 PolarHBondContact O-N 3.44Å
186E83.2Confident74.7Confident28 Ų2866 Ų6613%0.13134%0.337CS..THydrogen-bonded Turntrans-81.4-32.7176.9-66-171.3167.600112.7Y134 K138 G148 R149 L150 L183 N188Y134-E186 PolarHBondContact OH-OE2 3.38Å; K138-E186 IonicContact NZ-OE1 2.74Å; K138-E186 PolarHBondContact NZ-OE1 3.07Å; K138-E186 IonicContact NZ-OE2 3.12Å; K138-E186 PolarHBondContact NZ-OE2 2.89Å; G148-E186 WeakPolarHBondContact O-CG 3.34Å; R149-E186 CarbonylContact C-O 3.51Å; R149-E186 VanDerWaalsContact CA-O 3.28Å; R149-E186 WeakPolarHBondContact CA-O 3.41Å; L150-E186 PolarHBondContact N-O 3.11Å; L183-E186 PolarHBondContact O-N 3.21Å; L183-E186 VanDerWaalsContact O-N 3.08Å; E186-N188 PolarHBondContact O-ND2 3.45Å; E186-N188 VanDerWaalsContact O-ND2 3.15Å
187I85.7Confident73.9Confident15 Ų1564.4 Ų64.48%0.07733%0.334CS..EExtended strand (participates in β ladder)trans-90128.2-176-53175.6000109.8I131 L150 L152 I173 L177 L183I131-I187 HydrophobicContact CD1-CD1 3.98Å; I131-I187 HydrophobicContact CG1-CD1 3.98Å; I131-I187 HydrophobicContact CG2-CD1 4.25Å; L150-I187 HydrophobicContact CB-CG1 4.36Å; L150-I187 HydrophobicContact CD2-CG1 4.23Å; L150-I187 HydrophobicContact CD2-CG2 4.24Å; L152-I187 HydrophobicContact CD1-CG2 3.61Å; L152-I187 HydrophobicContact CG-CG2 4.13Å; I173-I187 HydrophobicContact CD1-CG2 4.14Å; I173-I187 HydrophobicContact CG2-CB 4.36Å; I173-I187 HydrophobicContact CG2-CG2 4.1Å; L177-I187 HydrophobicContact CD2-CD1 3.96Å; L183-I187 HydrophobicContact CB-CD1 4.29Å
188N84.6Confident72.7Confident39 Ų3967.2 Ų67.221%0.20936%0.355CS..EExtended strand (participates in β ladder)trans-132127.2-179.8-62.4-86.5000110L150 F151 L152 E186 L238L150-N188 PolarHBondContact O-N 2.73Å; F151-N188 WeakPolarHBondContact CA-O 3.32Å; F151-N188 HydrophobicContact CD1-CB 4.27Å; F151-N188 HydrophobicContact CE1-CB 4.4Å; L152-N188 PolarHBondContact N-O 3.22Å; E186-N188 PolarHBondContact O-ND2 3.45Å; E186-N188 VanDerWaalsContact O-ND2 3.15Å; N188-L238 HydrophobicContact CB-CD1 4.07Å
189C83Confident71.1Confident18 Ų1865.4 Ų65.412%0.12236%0.355CS..EExtended strand (participates in β ladder)trans-85.4136.9170.3-790000111.2V166 N170 I173V166-C189 HydrophobicContact CG1-CB 4.46Å; N170-C189 WeakPolarHBondContact OD1-CB 3.25Å; I173-C189 WeakPolarHBondContact CD1-SG 3.33Å
190H81.6Confident69.2Low9 Ų963.5 Ų63.54%0.04235%0.347CS..EExtended strand (participates in β ladder)trans-139.5134.9175.3-156.6-74.9000109.9L152 L153 L154 S192 H194L152-H190 PolarHBondContact O-N 2.68Å; L152-H190 VanDerWaalsContact O-O 3.13Å; L153-H190 VanDerWaalsContact CA-O 3.32Å; L153-H190 WeakPolarHBondContact CA-O 3.45Å; L153-H190 HydrophobicContact CD2-CB 4.15Å; L154-H190 PolarHBondContact N-O 3.12Å; H190-S192 PolarHBondContact O-N 3.09Å; H190-H194 PolarHBondContact CE1-O 3.4Å
191P76.3Confident67.3Low34 Ų3465 Ų6522%0.22136%0.355CS..EExtended strand (participates in β ladder)trans-63.5134.5170.824-30.5000109.7E193 H194P191-E193 VanDerWaalsContact C-N 3.27Å; P191-E193 PolarHBondContact O-N 3.04Å; P191-H194 HydrophobicContact CG-CB 4.12Å; P191-H194 PolarHBondContact O-N 3.48Å
192S70.3Confident65.6Low27 Ų2762.7 Ų62.719%0.18934%0.335CS..G310 helixtrans-65.9-30.2-174.364.60000112.9L154 P156 H190 H194 L195L154-S192 WeakPolarHBondContact O-CB 3.04Å; L154-S192 PolarHBondContact O-N 2.95Å; L154-S192 PolarHBondContact O-OG 3.02Å; L154-S192 VanDerWaalsContact O-OG 3.04Å; P156-S192 WeakPolarHBondContact CD-OG 3.27Å; H190-S192 PolarHBondContact O-N 3.09Å; S192-H194 PolarHBondContact O-N 2.92Å; S192-L195 WeakPolarHBondContact O-CB 3.49Å; S192-L195 PolarHBondContact O-N 3.36Å
193E68.5Low63.6Low131 Ų13157.4 Ų57.461%0.61231%0.312SS*.G310 helixtrans-64.3-28178.8-58.2-173.7154.700112.8P156 P191P156-E193 HydrophobicContact CB-CG 3.94Å; P156-E193 WeakPolarHBondContact CB-OE1 3.5Å; P156-E193 HydrophobicContact CG-CG 3.88Å; P156-E193 WeakPolarHBondContact CG-OE1 3.48Å; P191-E193 VanDerWaalsContact C-N 3.27Å; P191-E193 PolarHBondContact O-N 3.04Å
194H70.8Confident61.5Low104 Ų10464.6 Ų64.648%0.48134%0.343SS..G310 helixtrans-97.914.5-177.6-61.7171.3000112.7H190 P191 S192 F196 N232H190-H194 PolarHBondContact CE1-O 3.4Å; P191-H194 HydrophobicContact CG-CB 4.12Å; P191-H194 PolarHBondContact O-N 3.48Å; S192-H194 PolarHBondContact O-N 2.92Å; H194-F196 VanDerWaalsContact C-N 3.28Å; H194-F196 PolarHBondContact O-N 3.44Å; H194-N232 WeakPolarHBondContact O-CB 3.44Å; H194-N232 PolarHBondContact O-ND2 3.26Å
195L72.6Confident59.6Low8 Ų866 Ų664%0.04235%0.351CS..SBendtrans-57.9-42.3-178.2-171.280.1000112.1V35 L153 S192 N232 I235V35-L195 HydrophobicContact CG2-CD1 4.39Å; V35-L195 HydrophobicContact CG2-CD2 3.4Å; V35-L195 VanDerWaalsContact CG2-CD2 3.4Å; V35-L195 HydrophobicContact CG2-CG 4.02Å; L153-L195 HydrophobicContact CD1-CD1 3.77Å; L153-L195 HydrophobicContact CD2-CD1 3.48Å; L153-L195 VanDerWaalsContact CD2-CD1 3.48Å; L153-L195 HydrophobicContact CG-CD1 4.28Å; S192-L195 WeakPolarHBondContact O-CB 3.49Å; S192-L195 PolarHBondContact O-N 3.36Å; L195-N232 WeakPolarHBondContact O-CB 3.42Å; L195-N232 PolarHBondContact O-N 3.24Å; L195-I235 HydrophobicContact CD1-CD1 3.89Å
196F75.8Confident57.5Low51 Ų5171.3 Ų71.322%0.22436%0.362CS..BIsolated β-bridgetrans-102.9144174.6-58.3-67.8000109.7S34 V35 H194 P229 F230S34-F196 WeakPolarHBondContact OG-CZ 3.48Å; V35-F196 HydrophobicContact CG2-CE1 3.93Å; V35-F196 HydrophobicContact CG2-CZ 3.64Å; H194-F196 VanDerWaalsContact C-N 3.28Å; H194-F196 PolarHBondContact O-N 3.44Å; F196-P229 HydrophobicContact CB-CB 4.18Å; F196-P229 HydrophobicContact CD1-CB 3.79Å; F196-P229 HydrophobicContact CD1-CG 3.61Å; F196-P229 HydrophobicContact CD2-CG 4.3Å; F196-P229 HydrophobicContact CE1-CB 4.36Å; F196-P229 HydrophobicContact CE1-CG 3.68Å; F196-P229 HydrophobicContact CE2-CG 4.34Å; F196-P229 HydrophobicContact CG-CB 3.95Å; F196-P229 HydrophobicContact CG-CG 3.94Å; F196-P229 HydrophobicContact CZ-CG 4.06Å; F196-F230 CarbonylContact C-O 3.47Å; F196-F230 VanDerWaalsContact CA-O 3.25Å; F196-F230 WeakPolarHBondContact CA-O 3.33Å
197A58.6Low54.7Low23 Ų2373.2 Ų73.219%0.1939%0.389CS..PPolyproline II helixtrans-68.5134.417000000108.9E199 I202 F230A197-E199 PolarHBondContact O-N 3.45Å; A197-I202 HydrophobicContact CB-CD1 3.39Å; A197-I202 HydrophobicContact CB-CG1 4.05Å; A197-F230 PolarHBondContact N-O 3Å
198S50.2Low51.8Low77 Ų7781.1 Ų81.154%0.53842%0.419SS..PPolyproline II helixtrans-59.6128164.848.50000107.9M200 N201S198-M200 PolarHBondContact O-N 2.87Å; S198-N201 PolarHBondContact O-N 3.03Å
199E39.5Very low49Very low158 Ų15883.9 Ų83.974%0.73844%0.442SS*.Hα-helixtrans-52.5-19.1-172.3-68.1-177.1148.400113.5A197A197-E199 PolarHBondContact O-N 3.45Å
200M30.4Very low46.4Very low87 Ų8785.4 Ų85.443%0.42946%0.456SS..Hα-helixtrans-74.8-25-172.5-153.4171.1167.200115.3S198 T212S198-M200 PolarHBondContact O-N 2.87Å; M200-T212 HydrophobicContact CB-CG2 4.14Å; M200-T212 HydrophobicContact CE-CG2 4.11Å; M200-T212 WeakPolarHBondContact CE-OG1 3.4Å; M200-T212 HydrophobicContact CG-CG2 3.67Å; M200-T212 HydrophobicContact SD-CG2 3.27Å; M200-T212 WeakPolarHBondContact SD-CG2 3.48Å; M200-T212 PolarHBondContact SD-OG1 3.24Å
201N30.2Very low43.8Very low115 Ų11588.3 Ų88.362%0.61549%0.488SS*.Hα-helixtrans-97.5-33-172.4-78.8-14.9000115.2S198 L203 K204S198-N201 PolarHBondContact O-N 3.03Å; N201-L203 VanDerWaalsContact C-N 3.27Å; N201-L203 PolarHBondContact O-N 3.41Å; N201-K204 PolarHBondContact O-N 3.38Å
202I32.2Very low41.6Very low47 Ų4790.1 Ų90.124%0.24150%0.498CS..Hα-helixtrans-73.4-26.4-175.8-63.9-178.1000111.2A197 K204 D205 F206 F230A197-I202 HydrophobicContact CB-CD1 3.39Å; A197-I202 HydrophobicContact CB-CG1 4.05Å; I202-K204 VanDerWaalsContact C-N 3.29Å; I202-K204 PolarHBondContact O-N 3.18Å; I202-D205 PolarHBondContact O-N 2.55Å; I202-F206 HydrophobicContact CG2-CB 4.49Å; I202-F206 HydrophobicContact CG2-CD2 3.35Å; I202-F206 HydrophobicContact CG2-CE2 3.84Å; I202-F206 HydrophobicContact CG2-CG 4.23Å; I202-F206 WeakPolarHBondContact O-CB 3.35Å; I202-F206 PolarHBondContact O-N 3.33Å; I202-F230 HydrophobicContact CD1-CB 4.08Å
203L27.9Very low39.5Very low58 Ų5895.5 Ų95.530%0.30453%0.525SS..Hα-helixtrans-71.9-20.2-178.3-82.6174.2000113.5N201 Y208 S209 A210N201-L203 VanDerWaalsContact C-N 3.27Å; N201-L203 PolarHBondContact O-N 3.41Å; L203-Y208 WeakPolarHBondContact CB-O 3.48Å; L203-Y208 VanDerWaalsContact CD2-CB 3.48Å; L203-Y208 WeakPolarHBondContact CD2-O 3.33Å; L203-Y208 VanDerWaalsContact CG-O 3.24Å; L203-Y208 WeakPolarHBondContact CG-O 3.4Å; L203-Y208 CarbonylContact O-C 3.48Å; L203-Y208 WeakPolarHBondContact O-CA 3.46Å; L203-Y208 PolarHBondContact O-N 2.99Å; L203-S209 PolarHBondContact O-N 3.3Å; L203-A210 HydrophobicContact CD1-CB 3.28Å
204K28Very low37.4Very low163 Ų16397.8 Ų97.871%0.70954%0.536SS*.Hα-helixtrans-82.5-37170.7-82.3-177.4176.3176.80113.2N201 I202N201-K204 PolarHBondContact O-N 3.38Å; I202-K204 VanDerWaalsContact C-N 3.29Å; I202-K204 PolarHBondContact O-N 3.18Å
205D29.6Very low35.3Very low152 Ų15299.5 Ų99.581%0.81356%0.558SS**Hα-helixtrans-84.9-17.9178.1-72.1-18.1000113.6I202I202-D205 PolarHBondContact O-N 2.55Å
206F29.3Very low33.1Very low153 Ų153104.8 Ų104.867%0.67160%0.596SS**THydrogen-bonded Turntrans-104.942.7165-75.4-92.7000111.6I202 Y208I202-F206 HydrophobicContact CG2-CB 4.49Å; I202-F206 HydrophobicContact CG2-CD2 3.35Å; I202-F206 HydrophobicContact CG2-CE2 3.84Å; I202-F206 HydrophobicContact CG2-CG 4.23Å; I202-F206 WeakPolarHBondContact O-CB 3.35Å; I202-F206 PolarHBondContact O-N 3.33Å; F206-Y208 WeakPolarHBondContact O-CB 3.32Å; F206-Y208 VanDerWaalsContact O-CD2 3.31Å; F206-Y208 WeakPolarHBondContact O-CD2 3.2Å; F206-Y208 PolarHBondContact O-N 3.05Å
207G23.4Very low30.7Very low68 Ų68107.4 Ų107.470%0.70162%0.62SS**THydrogen-bonded Turntrans44.435.8162.300000117
208Y24.7Very low29.2Very low181 Ų181114.6 Ų114.671%0.7165%0.654SS**  trans-147.156.3-177.7-87.2-69.8000110L203 F206 A210L203-Y208 WeakPolarHBondContact CB-O 3.48Å; L203-Y208 VanDerWaalsContact CD2-CB 3.48Å; L203-Y208 WeakPolarHBondContact CD2-O 3.33Å; L203-Y208 VanDerWaalsContact CG-O 3.24Å; L203-Y208 WeakPolarHBondContact CG-O 3.4Å; L203-Y208 CarbonylContact O-C 3.48Å; L203-Y208 WeakPolarHBondContact O-CA 3.46Å; L203-Y208 PolarHBondContact O-N 2.99Å; F206-Y208 WeakPolarHBondContact O-CB 3.32Å; F206-Y208 VanDerWaalsContact O-CD2 3.31Å; F206-Y208 WeakPolarHBondContact O-CD2 3.2Å; F206-Y208 PolarHBondContact O-N 3.05Å; Y208-A210 PolarHBondContact O-N 3.31Å; Y208-A210 VanDerWaalsContact O-N 3.11Å
209S25.8Very low28Very low98 Ų98116.4 Ų116.469%0.68566%0.662SS**  trans-42.2115-179.255.60000115L203L203-S209 PolarHBondContact O-N 3.3Å
210A28.1Very low27.4Very low50 Ų50116.5 Ų116.541%0.41367%0.667SS.*  trans-111.3123149.900000108.2L203 Y208L203-A210 HydrophobicContact CD1-CB 3.28Å; Y208-A210 PolarHBondContact O-N 3.31Å; Y208-A210 VanDerWaalsContact O-N 3.11Å
211G26.8Very low27.3Very low70 Ų70121.8 Ų121.872%0.72269%0.688SS**  trans-96.6140.7161.400000108.8
212T31.3Very low27.2Very low72 Ų72121.2 Ų121.244%0.44269%0.693SS.*  trans-73.9155173.555.10000111.3M200M200-T212 HydrophobicContact CB-CG2 4.14Å; M200-T212 HydrophobicContact CE-CG2 4.11Å; M200-T212 WeakPolarHBondContact CE-OG1 3.4Å; M200-T212 HydrophobicContact CG-CG2 3.67Å; M200-T212 HydrophobicContact SD-CG2 3.27Å; M200-T212 WeakPolarHBondContact SD-CG2 3.48Å; M200-T212 PolarHBondContact SD-OG1 3.24Å
213D25.3Very low27.1Very low139 Ų139128.4 Ų128.474%0.74373%0.725SS**  -176.8136.5105-91-8000112.1
214E25.6Very low27.2Very low180 Ų180129.7 Ų129.784%0.84174%0.744SS**  trans60.2102.1155.2-60.8-174.617000120.4
215C26.8Very low27.4Very low139 Ų139127.7 Ų127.794%0.93975%0.751SS**  trans-15588.7143.6-101.50000111.2
216S25.7Very low27.9Very low120 Ų120127.8 Ų127.884%0.83975%0.75SS**  trans-9398.1156.256.10000109
217S25.7Very low28.6Very low105 Ų105131 Ų13173%0.73476%0.757SS**  trans156101.8144.7640000110.6
218L27.3Very low30.3Very low174 Ų174129.3 Ų129.391%0.91173%0.734SS**  175.3109.3124.2-90.7160.5000108.1
219V25.3Very low32.3Very low115 Ų115122.5 Ų122.570%0.69771%0.712SS**  trans-64122.3171.1170.90000108.2
220D26.4Very low34.5Very low160 Ų160122.2 Ų122.286%0.85670%0.699SS**  -150.1111.5126.3-98.9-24.6000110.4S222D220-S222 PolarHBondContact O-N 3.06Å
221K28Very low36.9Very low199 Ų199119.9 Ų119.987%0.86568%0.679SS**  trans-76.4107.8-177.8-69.7175.9175-179.70109.3
222S27.4Very low39.5Very low103 Ų103117.4 Ų117.472%0.7265%0.649SS**SBendtrans-152105.3144.851.70000111.1D220 A224D220-S222 PolarHBondContact O-N 3.06Å; S222-A224 PolarHBondContact O-N 2.73Å
223H31Very low41.4Very low197 Ų197120.4 Ų120.491%0.91266%0.658SS**  trans46.947.3160.2-53.3-69.2000118.8S225H223-S225 PolarHBondContact O-N 3.11Å
224A29.8Very low43.7Very low85 Ų85120.8 Ų120.870%0.70265%0.649SS**  trans-67.3121.3150.900000108S222 I226S222-A224 PolarHBondContact O-N 2.73Å; A224-I226 PolarHBondContact O-N 2.83Å
225S32.3Very low46.2Very low121 Ų121112.4 Ų112.485%0.84661%0.61SS**  trans-65.193.7178.561.70000110H223 R227H223-S225 PolarHBondContact O-N 3.11Å; S225-R227 PolarHBondContact O-N 2.68Å; S225-R227 VanDerWaalsContact O-N 3.13Å
226I40.6Very low48.7Very low154 Ų154106.7 Ų106.779%0.7957%0.572SS**  trans-61.2114.1176.9-60.4167.3000107.4A224A224-I226 PolarHBondContact O-N 2.83Å
227R44Very low51.1Low221 Ų221103.1 Ų103.183%0.83455%0.547SS*.PPolyproline II helixtrans-59.9130.8168.9-109.8-177.8179.6176.5-0.2107.6S225S225-R227 PolarHBondContact O-N 2.68Å; S225-R227 VanDerWaalsContact O-N 3.13Å
228P57.7Low53.7Low32 Ų3299.7 Ų99.721%0.20852%0.52CS..PPolyproline II helixtrans-62.3138179.821.8-28.9000110C37 T41 H42C37-P228 HydrophobicContact CB-CB 4.13Å; T41-P228 HydrophobicContact CG2-CG 3.95Å; T41-P228 WeakPolarHBondContact OG1-CG 3.49Å; H42-P228 PolarHBondContact CE1-O 2.92Å
229P67.7Low56.4Low38 Ų3891.6 Ų91.625%0.24748%0.477CS..PPolyproline II helixtrans-66.9153.3-17826.9-34.9000111.8S34 S38 F196S34-P229 WeakPolarHBondContact OG-CD 3.35Å; S34-P229 WeakPolarHBondContact OG-CG 3.47Å; S38-P229 WeakPolarHBondContact CB-O 3.44Å; S38-P229 PolarHBondContact OG-O 3.44Å; F196-P229 HydrophobicContact CB-CB 4.18Å; F196-P229 HydrophobicContact CD1-CB 3.79Å; F196-P229 HydrophobicContact CD1-CG 3.61Å; F196-P229 HydrophobicContact CD2-CG 4.3Å; F196-P229 HydrophobicContact CE1-CB 4.36Å; F196-P229 HydrophobicContact CE1-CG 3.68Å; F196-P229 HydrophobicContact CE2-CG 4.34Å; F196-P229 HydrophobicContact CG-CB 3.95Å; F196-P229 HydrophobicContact CG-CG 3.94Å; F196-P229 HydrophobicContact CZ-CG 4.06Å
230F71.5Confident59.1Low93 Ų9388.9 Ų88.941%0.40846%0.457SS..PPolyproline II helixtrans-78.8131.9177.6-72.3-86.8000111.6H42 F196 A197 I202H42-F230 HydrophobicContact CB-CD1 4.48Å; H42-F230 HydrophobicContact CB-CE1 4.34Å; H42-F230 AromaticContact CD2-CE1 3.31Å; H42-F230 WeakPolarHBondContact CD2-CE1 3.35Å; H42-F230 AromaticContact CD2-CZ 3.77Å; H42-F230 AromaticContact CE1-CE1 3.97Å; H42-F230 AromaticContact CG-CD1 3.93Å; H42-F230 AromaticContact CG-CE1 3.65Å; H42-F230 AromaticContact NE2-CE1 3.55Å; H42-F230 AromaticContact NE2-CZ 3.6Å; F196-F230 CarbonylContact C-O 3.47Å; F196-F230 VanDerWaalsContact CA-O 3.25Å; F196-F230 WeakPolarHBondContact CA-O 3.33Å; A197-F230 PolarHBondContact N-O 3Å; I202-F230 HydrophobicContact CD1-CB 4.08Å
231V79.8Confident61.8Low1 Ų183 Ų831%0.00643%0.43CS..BIsolated β-bridgetrans-66.1143.3170.8-160.10000110.2S38 L39 Y43 I235S38-V231 WeakPolarHBondContact OG-CG2 3.3Å; S38-V231 PolarHBondContact OG-N 3.37Å; L39-V231 HydrophobicContact CD2-CG2 4.27Å; L39-V231 HydrophobicContact CG-CG2 4.39Å; Y43-V231 HydrophobicContact CE2-CB 4.24Å; Y43-V231 HydrophobicContact CE2-CG2 4.11Å; Y43-V231 PolarHBondContact OH-O 2.77Å; V231-I235 HydrophobicContact CG1-CB 3.62Å; V231-I235 HydrophobicContact CG1-CD1 3.51Å; V231-I235 HydrophobicContact CG1-CG1 4.13Å; V231-I235 HydrophobicContact CG1-CG2 3.6Å
232N79.7Confident64.5Low17 Ų1773.5 Ų73.59%0.09139%0.389CS..PPolyproline II helixtrans-50.5143.5179.1-169.7-51000113.4H194 L195 R234 I235 S236H194-N232 WeakPolarHBondContact O-CB 3.44Å; H194-N232 PolarHBondContact O-ND2 3.26Å; L195-N232 WeakPolarHBondContact O-CB 3.42Å; L195-N232 PolarHBondContact O-N 3.24Å; N232-R234 PolarHBondContact O-N 3.36Å; N232-R234 VanDerWaalsContact O-N 3.12Å; N232-R234 PolarHBondContact OD1-N 3.42Å; N232-I235 HydrophobicContact CB-CD1 4.44Å; N232-I235 PolarHBondContact O-N 2.8Å; N232-S236 PolarHBondContact O-N 2.93Å
233H72.9Confident67.3Low135 Ų13568.6 Ų68.663%0.62536%0.355SS*.Hα-helixtrans-52.6-32.617871.9-84.5000113.6S236 S237H233-S236 WeakPolarHBondContact O-CB 3.26Å; H233-S236 PolarHBondContact O-N 3.34Å; H233-S237 WeakPolarHBondContact O-CB 3.48Å; H233-S237 PolarHBondContact O-N 3.04Å
234R72Confident69.8Low148 Ų14859.8 Ų59.856%0.55832%0.315SS*.Hα-helixtrans-63-48.1175.1-71.5-170.8176.7-171.6-0.4111.8N232 S236 S237 L238N232-R234 PolarHBondContact O-N 3.36Å; N232-R234 VanDerWaalsContact O-N 3.12Å; N232-R234 PolarHBondContact OD1-N 3.42Å; R234-S236 VanDerWaalsContact C-N 3.35Å; R234-S237 PolarHBondContact O-N 3.08Å; R234-S237 PolarHBondContact O-OG 3.01Å; R234-L238 PolarHBondContact O-N 2.76Å; R234-L238 VanDerWaalsContact O-N 3.09Å
235I78.9Confident72.4Confident4 Ų459.4 Ų59.42%0.02130%0.299CS..Hα-helixtrans-65.9-41.1178.2-60.1168.4000110.1F151 L195 V231 N232 S237 L238 L239F151-I235 HydrophobicContact CD1-CG1 4.21Å; F151-I235 HydrophobicContact CE1-CB 4.29Å; F151-I235 HydrophobicContact CE1-CG1 3.93Å; F151-I235 HydrophobicContact CE1-CG2 4.09Å; F151-I235 HydrophobicContact CE2-CG2 4.44Å; F151-I235 HydrophobicContact CZ-CG2 3.93Å; L195-I235 HydrophobicContact CD1-CD1 3.89Å; V231-I235 HydrophobicContact CG1-CB 3.62Å; V231-I235 HydrophobicContact CG1-CD1 3.51Å; V231-I235 HydrophobicContact CG1-CG1 4.13Å; V231-I235 HydrophobicContact CG1-CG2 3.6Å; N232-I235 HydrophobicContact CB-CD1 4.44Å; N232-I235 PolarHBondContact O-N 2.8Å; I235-S237 VanDerWaalsContact C-N 3.34Å; I235-S237 PolarHBondContact O-N 3.19Å; I235-L238 PolarHBondContact O-N 3.08Å; I235-L239 WeakPolarHBondContact O-CB 3.19Å; I235-L239 PolarHBondContact O-N 2.84Å
236S78.2Confident74.9Confident19 Ų1953.8 Ų53.813%0.13326%0.26CS..Hα-helixtrans-56.9-44173175.50000112.6Y43 N232 H233 R234 L238 L239 Q240Y43-S236 VanDerWaalsContact CE1-OG 3.26Å; Y43-S236 WeakPolarHBondContact CE1-OG 3.46Å; Y43-S236 WeakPolarHBondContact OH-CB 3.41Å; N232-S236 PolarHBondContact O-N 2.93Å; H233-S236 WeakPolarHBondContact O-CB 3.26Å; H233-S236 PolarHBondContact O-N 3.34Å; R234-S236 VanDerWaalsContact C-N 3.35Å; S236-L238 PolarHBondContact O-N 3.47Å; S236-L239 WeakPolarHBondContact O-CB 3.38Å; S236-L239 PolarHBondContact O-N 3.13Å; S236-Q240 WeakPolarHBondContact O-CG 3.34Å; S236-Q240 PolarHBondContact O-N 2.87Å
237S77.4Confident77.1Confident45 Ų4547 Ų4732%0.31522%0.224SC..Hα-helixtrans-65.6-39.2178.777.70000112.8H233 R234 I235 Q240 A241H233-S237 WeakPolarHBondContact O-CB 3.48Å; H233-S237 PolarHBondContact O-N 3.04Å; R234-S237 PolarHBondContact O-N 3.08Å; R234-S237 PolarHBondContact O-OG 3.01Å; I235-S237 VanDerWaalsContact C-N 3.34Å; I235-S237 PolarHBondContact O-N 3.19Å; S237-Q240 PolarHBondContact O-N 3.11Å; S237-A241 PolarHBondContact O-N 3.48Å
238L80.2Confident79Confident33 Ų3340 Ų4017%0.17320%0.198CC..Hα-helixtrans-70-35.7176-76.2164.4000111.7F151 N188 R234 I235 S236 A241 L242F151-L238 HydrophobicContact CE1-CB 4.29Å; F151-L238 HydrophobicContact CE1-CD1 3.53Å; F151-L238 HydrophobicContact CZ-CB 3.91Å; F151-L238 HydrophobicContact CZ-CD1 3.99Å; N188-L238 HydrophobicContact CB-CD1 4.07Å; R234-L238 PolarHBondContact O-N 2.76Å; R234-L238 VanDerWaalsContact O-N 3.09Å; I235-L238 PolarHBondContact O-N 3.08Å; S236-L238 PolarHBondContact O-N 3.47Å; L238-A241 WeakPolarHBondContact O-CB 3.41Å; L238-A241 PolarHBondContact O-N 2.88Å; L238-L242 PolarHBondContact O-N 3.35Å
239L83.1Confident80.3Confident4 Ų440.8 Ų40.82%0.02120%0.2CC..Hα-helixtrans-62.8-45.3172.1-176.268.6000111.2L39 Y43 T46 L90 F92 L116 I235 S236 A241 L242 T243L39-L239 HydrophobicContact CD2-CD2 3.87Å; Y43-L239 HydrophobicContact CD1-CD2 3.78Å; Y43-L239 HydrophobicContact CG-CD2 3.74Å; T46-L239 HydrophobicContact CG2-CD2 4.49Å; L90-L239 HydrophobicContact CD1-CD1 4.49Å; F92-L239 HydrophobicContact CE1-CD1 4.15Å; F92-L239 HydrophobicContact CZ-CD1 4.26Å; F92-L239 HydrophobicContact CZ-CD2 4.3Å; L116-L239 HydrophobicContact CD1-CD1 3.6Å; L116-L239 HydrophobicContact CD2-CD1 4.39Å; I235-L239 WeakPolarHBondContact O-CB 3.19Å; I235-L239 PolarHBondContact O-N 2.84Å; S236-L239 WeakPolarHBondContact O-CB 3.38Å; S236-L239 PolarHBondContact O-N 3.13Å; L239-A241 VanDerWaalsContact C-N 3.29Å; L239-A241 PolarHBondContact O-N 3.35Å; L239-L242 HydrophobicContact CD1-CD2 4.46Å; L239-L242 PolarHBondContact O-N 2.99Å; L239-T243 PolarHBondContact O-N 2.78Å; L239-T243 PolarHBondContact O-OG1 3.46Å; L239-T243 VanDerWaalsContact O-OG1 3.05Å
240Q82.3Confident81Confident58 Ų5839.3 Ų39.327%0.27119%0.19SC..Hα-helixtrans-60.8-37.8174.2-72.2177.93.700112.4S236 S237 S244S236-Q240 WeakPolarHBondContact O-CG 3.34Å; S236-Q240 PolarHBondContact O-N 2.87Å; S237-Q240 PolarHBondContact O-N 3.11Å; Q240-S244 VanDerWaalsContact O-CB 3.31Å; Q240-S244 WeakPolarHBondContact O-CB 3.3Å; Q240-S244 PolarHBondContact O-N 3.35Å; Q240-S244 PolarHBondContact O-OG 3.24Å
241A83.3Confident81.5Confident35 Ų3539 Ų3929%0.28919%0.188SC..Hα-helixtrans-64.9-46.1175.400000111.5S237 L238 L239 S244 E245S237-A241 PolarHBondContact O-N 3.48Å; L238-A241 WeakPolarHBondContact O-CB 3.41Å; L238-A241 PolarHBondContact O-N 2.88Å; L239-A241 VanDerWaalsContact C-N 3.29Å; L239-A241 PolarHBondContact O-N 3.35Å; A241-S244 PolarHBondContact O-N 2.9Å; A241-E245 PolarHBondContact O-N 3.1Å
242L85.5Confident81.6Confident0 Ų045.4 Ų45.40%022%0.216CC..Hα-helixtrans-59.8-47.3174.6176.9129.1000111.5L116 R149 L238 L239 S244 E245 I246L116-L242 HydrophobicContact CD2-CD1 4.28Å; R149-L242 HydrophobicContact CB-CD1 4.43Å; R149-L242 HydrophobicContact CG-CB 4.39Å; R149-L242 HydrophobicContact CG-CD1 3.76Å; L238-L242 PolarHBondContact O-N 3.35Å; L239-L242 HydrophobicContact CD1-CD2 4.46Å; L239-L242 PolarHBondContact O-N 2.99Å; L242-S244 VanDerWaalsContact C-N 3.3Å; L242-S244 PolarHBondContact O-N 3.12Å; L242-E245 PolarHBondContact O-N 3.26Å; L242-I246 HydrophobicContact CD2-CD1 3.63Å; L242-I246 HydrophobicContact CG-CD1 3.93Å; L242-I246 VanDerWaalsContact O-CG1 3.28Å; L242-I246 WeakPolarHBondContact O-CG1 2.96Å; L242-I246 PolarHBondContact O-N 3.4Å
243T85Confident81.3Confident1 Ų147.5 Ų47.51%0.00623%0.226CC..Hα-helixtrans-58.8-43.5175.3-560000111.5T46 V88 L90 L239 I246 Y247T46-T243 VanDerWaalsContact OG1-CG2 3.31Å; T46-T243 WeakPolarHBondContact OG1-CG2 3.42Å; T46-T243 PolarHBondContact OG1-OG1 2.83Å; V88-T243 HydrophobicContact CB-CG2 3.97Å; V88-T243 HydrophobicContact CG1-CG2 4.06Å; L90-T243 WeakPolarHBondContact CD1-OG1 3.43Å; L90-T243 HydrophobicContact CD2-CG2 4.28Å; L239-T243 PolarHBondContact O-N 2.78Å; L239-T243 PolarHBondContact O-OG1 3.46Å; L239-T243 VanDerWaalsContact O-OG1 3.05Å; T243-I246 PolarHBondContact O-N 3.37Å; T243-Y247 WeakPolarHBondContact O-CB 3.27Å; T243-Y247 PolarHBondContact O-N 2.96Å
244S83.6Confident81.4Confident11 Ų1142.3 Ų42.38%0.07720%0.203CC..Hα-helixtrans-64-44-179.3-60.90000111.1R49 Q240 A241 L242 Y247 W248R49-S244 PolarHBondContact N-OG 3.21Å; R49-S244 VanDerWaalsContact N-OG 3.11Å; Q240-S244 VanDerWaalsContact O-CB 3.31Å; Q240-S244 WeakPolarHBondContact O-CB 3.3Å; Q240-S244 PolarHBondContact O-N 3.35Å; Q240-S244 PolarHBondContact O-OG 3.24Å; A241-S244 PolarHBondContact O-N 2.9Å; L242-S244 VanDerWaalsContact C-N 3.3Å; L242-S244 PolarHBondContact O-N 3.12Å; S244-Y247 PolarHBondContact O-N 3.42Å; S244-W248 WeakPolarHBondContact O-CB 3.47Å; S244-W248 PolarHBondContact O-N 3.46Å
245E85.1Confident81.5Confident78 Ų7838.7 Ų38.736%0.36421%0.205SC..Hα-helixtrans-60.3-46.1175.8-175174.6-166.800111.7S147 A241 L242 W248 N249S147-E245 WeakPolarHBondContact CB-OE2 3.37Å; S147-E245 PolarHBondContact OG-OE2 2.99Å; A241-E245 PolarHBondContact O-N 3.1Å; L242-E245 PolarHBondContact O-N 3.26Å; E245-W248 PolarHBondContact O-N 2.97Å; E245-N249 WeakPolarHBondContact O-CB 3.47Å; E245-N249 PolarHBondContact O-N 3.43Å; E245-N249 PolarHBondContact O-ND2 2.91Å
246I85.1Confident81.1Confident3 Ų342.7 Ų42.72%0.01524%0.239CC..Hα-helixtrans-59.4-49.7176.1-68.1166.9000110.7V16 V113 I146 L242 T243 W248 N249 L250V16-I246 HydrophobicContact CG1-CG2 3.92Å; V113-I246 HydrophobicContact CB-CG2 4.42Å; V113-I246 HydrophobicContact CG1-CB 4.46Å; V113-I246 HydrophobicContact CG1-CG1 4.24Å; V113-I246 HydrophobicContact CG1-CG2 3.49Å; V113-I246 VanDerWaalsContact CG1-CG2 3.49Å; I146-I246 HydrophobicContact CB-CG1 4.5Å; I146-I246 HydrophobicContact CG2-CG1 4.39Å; L242-I246 HydrophobicContact CD2-CD1 3.63Å; L242-I246 HydrophobicContact CG-CD1 3.93Å; L242-I246 VanDerWaalsContact O-CG1 3.28Å; L242-I246 WeakPolarHBondContact O-CG1 2.96Å; L242-I246 PolarHBondContact O-N 3.4Å; T243-I246 PolarHBondContact O-N 3.37Å; I246-W248 PolarHBondContact O-N 3.35Å; I246-N249 PolarHBondContact O-N 3.47Å; I246-L250 HydrophobicContact CG2-CD1 3.94Å; I246-L250 HydrophobicContact CG2-CG 4.42Å; I246-L250 WeakPolarHBondContact O-CG 3.48Å; I246-L250 PolarHBondContact O-N 2.91Å
247Y85.9Confident80.4Confident10 Ų1045.1 Ų45.14%0.03925%0.247CC..Hα-helixtrans-58.6-49.2179.4171.2-86.2000111.8V48 Q86 V88 T243 S244 N249 L250 K251 L355V48-Y247 HydrophobicContact CB-CD1 4.35Å; V48-Y247 HydrophobicContact CB-CG 4.4Å; V48-Y247 HydrophobicContact CG1-CD1 3.66Å; V48-Y247 HydrophobicContact CG1-CE1 4.18Å; V48-Y247 HydrophobicContact CG1-CG 4.1Å; V48-Y247 HydrophobicContact CG2-CD1 3.96Å; V48-Y247 HydrophobicContact CG2-CD2 3.81Å; V48-Y247 HydrophobicContact CG2-CE2 4.45Å; V48-Y247 HydrophobicContact CG2-CG 3.53Å; Q86-Y247 PolarHBondContact OE1-OH 3.3Å; V88-Y247 HydrophobicContact CG2-CD2 3.56Å; V88-Y247 HydrophobicContact CG2-CE2 4.32Å; V88-Y247 HydrophobicContact CG2-CG 4.28Å; T243-Y247 WeakPolarHBondContact O-CB 3.27Å; T243-Y247 PolarHBondContact O-N 2.96Å; S244-Y247 PolarHBondContact O-N 3.42Å; Y247-N249 VanDerWaalsContact C-N 3.33Å; Y247-N249 PolarHBondContact O-N 2.92Å; Y247-L250 PolarHBondContact O-N 2.78Å; Y247-K251 HydrophobicContact CE1-CD 3.79Å; Y247-K251 WeakPolarHBondContact O-CB 3.32Å; Y247-K251 PolarHBondContact O-N 3.18Å; Y247-K251 PolarHBondContact OH-NZ 2.55Å; Y247-L355 HydrophobicContact CD2-CD2 3.54Å; Y247-L355 HydrophobicContact CE2-CD2 3.74Å; Y247-L355 HydrophobicContact CG-CD2 4.29Å
248W84.3Confident78.9Confident75 Ų7544.8 Ų44.828%0.28424%0.244SC..Hα-helixtrans-67.9-33.6-177.6-73.5117.2000112.1V48 R49 S244 E245 I246 K251 K252V48-W248 HydrophobicContact CG1-CZ2 4.48Å; R49-W248 PolarHBondContact O-NE1 3.46Å; S244-W248 WeakPolarHBondContact O-CB 3.47Å; S244-W248 PolarHBondContact O-N 3.46Å; E245-W248 PolarHBondContact O-N 2.97Å; I246-W248 PolarHBondContact O-N 3.35Å; W248-K251 HydrophobicContact CE3-CD 3.91Å; W248-K251 HydrophobicContact CZ3-CD 3.72Å; W248-K251 PolarHBondContact O-N 3.43Å; W248-K252 WeakPolarHBondContact O-CB 3.47Å; W248-K252 VanDerWaalsContact O-CG 3.25Å; W248-K252 WeakPolarHBondContact O-CG 3.35Å; W248-K252 PolarHBondContact O-N 2.87Å
249N83.9Confident76.6Confident48 Ų4848.9 Ų48.926%0.25727%0.272SS..Hα-helixtrans-68.4-42.6173.8-77.2-26.5000111.9I146 E245 I246 Y247 K251 K252 M253I146-N249 HydrophobicContact CD1-CB 4.25Å; I146-N249 HydrophobicContact CG2-CB 3.62Å; I146-N249 WeakPolarHBondContact CG2-ND2 3.23Å; E245-N249 WeakPolarHBondContact O-CB 3.47Å; E245-N249 PolarHBondContact O-N 3.43Å; E245-N249 PolarHBondContact O-ND2 2.91Å; I246-N249 PolarHBondContact O-N 3.47Å; Y247-N249 VanDerWaalsContact C-N 3.33Å; Y247-N249 PolarHBondContact O-N 2.92Å; N249-K251 VanDerWaalsContact C-N 3.33Å; N249-K251 PolarHBondContact O-N 3.26Å; N249-K252 PolarHBondContact O-N 3.44Å; N249-M253 WeakPolarHBondContact O-CG 3.4Å; N249-M253 PolarHBondContact O-N 3.15Å
250L83.1Confident74.3Confident8 Ų853.6 Ų53.64%0.04231%0.306CS..Hα-helixtrans-61.6-41.3172.9-71.1174.4000111.8V16 I146 I246 Y247 M253 L254 I351 L355V16-L250 HydrophobicContact CG2-CD1 4.42Å; I146-L250 HydrophobicContact CD1-CD2 3.88Å; I146-L250 HydrophobicContact CD1-CG 4.03Å; I246-L250 HydrophobicContact CG2-CD1 3.94Å; I246-L250 HydrophobicContact CG2-CG 4.42Å; I246-L250 WeakPolarHBondContact O-CG 3.48Å; I246-L250 PolarHBondContact O-N 2.91Å; Y247-L250 PolarHBondContact O-N 2.78Å; L250-M253 WeakPolarHBondContact O-CB 3.39Å; L250-M253 PolarHBondContact O-N 3.34Å; L250-L254 PolarHBondContact O-N 3.17Å; L250-L254 VanDerWaalsContact O-N 3.08Å; L250-I351 HydrophobicContact CB-CG2 4.33Å; L250-I351 HydrophobicContact CD2-CG2 4.46Å; L250-L355 HydrophobicContact CB-CD2 3.85Å; L250-L355 HydrophobicContact CB-CG 4.49Å; L250-L355 HydrophobicContact CD1-CD2 4.39Å
251K82.9Confident71.8Confident85 Ų8557.3 Ų57.337%0.3733%0.328SS..Hα-helixtrans-66.2-40.9176-169.9170.4-174.7169.30112.6Y247 W248 N249 M253 L254 A255Y247-K251 HydrophobicContact CE1-CD 3.79Å; Y247-K251 WeakPolarHBondContact O-CB 3.32Å; Y247-K251 PolarHBondContact O-N 3.18Å; Y247-K251 PolarHBondContact OH-NZ 2.55Å; W248-K251 HydrophobicContact CE3-CD 3.91Å; W248-K251 HydrophobicContact CZ3-CD 3.72Å; W248-K251 PolarHBondContact O-N 3.43Å; N249-K251 VanDerWaalsContact C-N 3.33Å; N249-K251 PolarHBondContact O-N 3.26Å; K251-M253 VanDerWaalsContact C-N 3.32Å; K251-M253 PolarHBondContact O-N 2.68Å; K251-L254 WeakPolarHBondContact O-CB 3.43Å; K251-L254 PolarHBondContact O-N 2.88Å; K251-A255 PolarHBondContact O-N 3.42Å
252K80.3Confident69.2Low137 Ų13762.8 Ų62.860%0.59635%0.35SS*.Hα-helixtrans-61.9-39.6172.2-78.2173.9-176.8176.70111.5W248 N249 L254 A255 A256W248-K252 WeakPolarHBondContact O-CB 3.47Å; W248-K252 VanDerWaalsContact O-CG 3.25Å; W248-K252 WeakPolarHBondContact O-CG 3.35Å; W248-K252 PolarHBondContact O-N 2.87Å; N249-K252 PolarHBondContact O-N 3.44Å; K252-L254 VanDerWaalsContact C-N 3.27Å; K252-L254 PolarHBondContact O-N 2.95Å; K252-A255 PolarHBondContact O-N 3.06Å; K252-A256 VanDerWaalsContact O-CB 3.27Å; K252-A256 WeakPolarHBondContact O-CB 3.45Å; K252-A256 PolarHBondContact O-N 2.92Å
253M74.8Confident66.4Low61 Ų6171 Ų7130%0.339%0.386SS..Hα-helixtrans-62.5-35.4175.1-74.2179.26500112.4N249 L250 K251 K257N249-M253 WeakPolarHBondContact O-CG 3.4Å; N249-M253 PolarHBondContact O-N 3.15Å; L250-M253 WeakPolarHBondContact O-CB 3.39Å; L250-M253 PolarHBondContact O-N 3.34Å; K251-M253 VanDerWaalsContact C-N 3.32Å; K251-M253 PolarHBondContact O-N 2.68Å; M253-K257 WeakPolarHBondContact O-CB 3.4Å; M253-K257 VanDerWaalsContact O-CG 3.32Å; M253-K257 WeakPolarHBondContact O-CG 3.4Å; M253-K257 PolarHBondContact O-N 3.17Å
254L75.1Confident63.6Low26 Ų2678.7 Ų78.714%0.13643%0.426CS..Hα-helixtrans-66.2-49.2171.3-104.1150.5000111.8L250 K251 K252 K257 C258 L348 I351 L355L250-L254 PolarHBondContact O-N 3.17Å; L250-L254 VanDerWaalsContact O-N 3.08Å; K251-L254 WeakPolarHBondContact O-CB 3.43Å; K251-L254 PolarHBondContact O-N 2.88Å; K252-L254 VanDerWaalsContact C-N 3.27Å; K252-L254 PolarHBondContact O-N 2.95Å; L254-K257 PolarHBondContact O-N 2.97Å; L254-C258 WeakPolarHBondContact O-CB 3.31Å; L254-C258 PolarHBondContact O-N 2.81Å; L254-L348 HydrophobicContact CD2-CD2 3.92Å; L254-L348 HydrophobicContact CG-CD2 4.35Å; L254-I351 HydrophobicContact CD1-CB 4.2Å; L254-I351 HydrophobicContact CD1-CG2 3.44Å; L254-I351 VanDerWaalsContact CD1-CG2 3.44Å; L254-I351 HydrophobicContact CG-CG2 4.09Å; L254-L355 HydrophobicContact CD1-CD1 3.26Å; L254-L355 HydrophobicContact CD1-CG 4.45Å
255A73.9Confident60.9Low72 Ų7287.4 Ų87.460%0.59546%0.463SS*.Hα-helixtrans-63.8-43.5-179.400000112.7K251 K252 K257K251-A255 PolarHBondContact O-N 3.42Å; K252-A255 PolarHBondContact O-N 3.06Å; A255-K257 PolarHBondContact O-N 3.47Å
256A69.7Low58.1Low88 Ų8893.2 Ų93.273%0.72749%0.487SS*.Hα-helixtrans-66-23.6-18000000113.1K252K252-A256 VanDerWaalsContact O-CB 3.27Å; K252-A256 WeakPolarHBondContact O-CB 3.45Å; K252-A256 PolarHBondContact O-N 2.92Å
257K63.4Low55.4Low69 Ų69103.1 Ų103.130%0.353%0.53SS..Hα-helixtrans-110.4-7.2-175.9-58-175.6-178.4176.70115M253 L254 A255 P259 F344M253-K257 WeakPolarHBondContact O-CB 3.4Å; M253-K257 VanDerWaalsContact O-CG 3.32Å; M253-K257 WeakPolarHBondContact O-CG 3.4Å; M253-K257 PolarHBondContact O-N 3.17Å; L254-K257 PolarHBondContact O-N 2.97Å; A255-K257 PolarHBondContact O-N 3.47Å; K257-P259 WeakPolarHBondContact O-CD 3.41Å; K257-F344 HydrophobicContact CB-CE2 4.18Å; K257-F344 HydrophobicContact CB-CZ 3.55Å; K257-F344 HydrophobicContact CD-CE2 3.6Å; K257-F344 HydrophobicContact CD-CZ 3.88Å; K257-F344 HydrophobicContact CG-CZ 4.34Å
258C46.1Very low52.6Low38 Ų38111.4 Ų111.426%0.25757%0.569SS.*  trans-10090.5170.1-79.40000109.8L254 S260L254-C258 WeakPolarHBondContact O-CB 3.31Å; L254-C258 PolarHBondContact O-N 2.81Å; C258-S260 VanDerWaalsContact C-N 3.3Å; C258-S260 PolarHBondContact O-N 3.3Å
259P33.2Very low49.8Very low119 Ų119113.3 Ų113.377%0.77359%0.594SS**  trans-7585.9172.830.8-32.9000109.3K257K257-P259 WeakPolarHBondContact O-CD 3.41Å
260S34.1Very low47.3Very low104 Ų104120.5 Ų120.573%0.72763%0.626SS**  trans-97.784.4170.751.60000109.8C258C258-S260 VanDerWaalsContact C-N 3.3Å; C258-S260 PolarHBondContact O-N 3.3Å
261D30.2Very low44.5Very low136 Ų136128 Ų12873%0.72767%0.665SS**  trans-153.646.6157.7-111.8-12.9000110.4K263D261-K263 PolarHBondContact O-N 2.66Å
262I28.8Very low41.8Very low149 Ų149128.6 Ų128.676%0.76468%0.68SS**  trans-76.376.2164-56.2175.3000106.7L264I262-L264 VanDerWaalsContact C-N 3.26Å; I262-L264 HydrophobicContact CG2-CG 4.44Å; I262-L264 PolarHBondContact O-N 3.49Å
263K26.1Very low39.3Very low173 Ų173130.9 Ų130.975%0.75269%0.69SS**  trans-63.994.5162.1-78-179.4-179.8172.20107D261 K265D261-K263 PolarHBondContact O-N 2.66Å; K263-K265 PolarHBondContact O-N 3.3Å
264L25.8Very low37.3Very low162 Ų162134.8 Ų134.885%0.84871%0.712SS**  trans-56.782.7164-84.4153.6000108.5I262 K266I262-L264 VanDerWaalsContact C-N 3.26Å; I262-L264 HydrophobicContact CG2-CG 4.44Å; I262-L264 PolarHBondContact O-N 3.49Å; L264-K266 PolarHBondContact O-N 3.13Å
265K26.6Very low35Very low194 Ų194140.9 Ų140.984%0.84374%0.744SS**  trans-61.1107.2164-88.9-175173.8-1800106.6K263 K267K263-K265 PolarHBondContact O-N 3.3Å; K265-K267 PolarHBondContact O-N 3.18Å
266K26.4Very low32.9Very low201 Ų201144 Ų14487%0.87476%0.755SS**  trans-43106.9162.6-103.2177.1169.1-179.80107.9L264 E268L264-K266 PolarHBondContact O-N 3.13Å; K266-E268 VanDerWaalsContact C-N 3.35Å; K266-E268 PolarHBondContact O-N 2.83Å; K266-E268 VanDerWaalsContact O-N 3.1Å
267K28Very low30.9Very low210 Ų210147.2 Ų147.291%0.91376%0.76SS**  trans-71.995165.5-91.8-178.2171.3178.90106.8K265K265-K267 PolarHBondContact O-N 3.18Å
268E27.3Very low29Very low184 Ų184149.1 Ų149.186%0.8678%0.783SS**  trans-67.3127.2155.2-85.4177163.200108.3K266 Q270K266-E268 VanDerWaalsContact C-N 3.35Å; K266-E268 PolarHBondContact O-N 2.83Å; K266-E268 VanDerWaalsContact O-N 3.1Å; E268-Q270 PolarHBondContact O-N 3.26Å
269S26.9Very low28.2Very low115 Ų115152.2 Ų152.280%0.80481%0.805SS**  trans-63.7116.6176.248.40000111
270Q30.7Very low27.8Very low199 Ų199154 Ų15493%0.9381%0.808SS**  trans-142.4128.5148.5-103.5171.719.500109.9E268E268-Q270 PolarHBondContact O-N 3.26Å
271L25Very low27.4Very low166 Ų166156.9 Ų156.987%0.86982%0.815SS**  trans-87.4152.4-169.8-171.680.6000110
272S25.7Very low27Very low97 Ų97156.9 Ų156.968%0.67881%0.814SS**  trans99.3119.715176.40000120.4
273K27.6Very low26.8Very low185 Ų185157.1 Ų157.180%0.80482%0.816SS**  trans63.4127142.6-68.9178.5-179.7178.50116.2
274D31.8Very low26.6Very low143 Ų143157.6 Ų157.677%0.76582%0.823SS**  cis-156.5164.537-84.7-46.8000110.8
275L27.1Very low26.6Very low155 Ų155153.9 Ų153.981%0.81282%0.816SS**  trans-52.8143.3170.6-66.398.3000113.1
276T29.8Very low26.6Very low136 Ų136150.4 Ų150.483%0.83481%0.814SS**  -178.6137.6109.2380000111
277D27.6Very low26.8Very low156 Ų156149 Ų14983%0.83481%0.81SS**  trans-39.3130.7178.4-60-53.7000116.8
278S24.9Very low26.7Very low110 Ų110147.5 Ų147.577%0.76981%0.806SS**  170.1123.2115.743.20000112.7
279S28.1Very low26.8Very low103 Ų103144.4 Ų144.472%0.7280%0.796SS**  trans66.568.5156.859.70000119.5N281S279-N281 VanDerWaalsContact C-N 3.31Å; S279-N281 PolarHBondContact O-N 3.17Å; S279-N281 VanDerWaalsContact O-N 3.14Å
280D24.7Very low27Very low157 Ų157146.2 Ų146.284%0.8479%0.791SS**  trans-72.284.8147.4-83.9-33000109.7
281N25.9Very low27Very low163 Ų163141.6 Ų141.687%0.87278%0.781SS**  trans-98.475.5160.2-83.6-21.9000108.1S279S279-N281 VanDerWaalsContact C-N 3.31Å; S279-N281 PolarHBondContact O-N 3.17Å; S279-N281 VanDerWaalsContact O-N 3.14Å
282L23.3Very low27.5Very low136 Ų136140.7 Ų140.771%0.71277%0.77SS**  trans-114.3112.4176.8-139.8133.7000109.2
283L24.3Very low27.8Very low155 Ų155142.1 Ų142.181%0.81276%0.761SS**  trans49.682.6158.1-77.2106.9000118
284M21.7Very low28.2Very low182 Ų182137.6 Ų137.690%0.89775%0.746SS**  trans-108.5122.6144.2-77.2-68.5-151.300108.2
285A25.4Very low28.4Very low85 Ų85134 Ų13470%0.70273%0.726SS**  trans-58.9143.817400000110.2E287A285-E287 PolarHBondContact O-N 2.73Å
286P26.2Very low28.9Very low121 Ų121128 Ų12879%0.78669%0.694SS**  trans-69.3122.4-167.727.5-32.7000111.4E288P286-E288 PolarHBondContact O-N 2.79Å; P286-E288 VanDerWaalsContact O-N 3.16Å
287E30.1Very low29.2Very low171 Ų171125.8 Ų125.880%0.79968%0.677SS**G310 helixtrans-70.92.3-173.3-70.9-175.7148.400115.3A285 N289A285-E287 PolarHBondContact O-N 2.73Å; E287-N289 PolarHBondContact O-N 3.21Å
288E27.7Very low29.6Very low178 Ų178121.5 Ų121.583%0.83265%0.652SS**G310 helixtrans-84.20.4-169.4-73.4-166.9155.900116.8P286P286-E288 PolarHBondContact O-N 2.79Å; P286-E288 VanDerWaalsContact O-N 3.16Å
289N29.4Very low30.3Very low119 Ų119117.7 Ų117.764%0.63662%0.624SS**G310 helixtrans-11010.7-176.9-79.9-37000116.3E287 S291 K292E287-N289 PolarHBondContact O-N 3.21Å; N289-S291 VanDerWaalsContact C-N 3.25Å; N289-S291 PolarHBondContact O-N 2.86Å; N289-K292 PolarHBondContact O-N 3.25Å
290E29.6Very low30.6Very low153 Ų153118.3 Ų118.372%0.71561%0.611SS**G310 helixtrans-63.7-25.1178.8-74.7-162.5151.300114.2K292 W293E290-K292 PolarHBondContact O-N 3.15Å; E290-K292 VanDerWaalsContact O-N 3.14Å; E290-W293 PolarHBondContact O-N 3.33Å
291S32Very low31Very low102 Ų102117.7 Ų117.771%0.71360%0.596SS**G310 helixtrans-62.3-21.8178.2600000113.3N289N289-S291 VanDerWaalsContact C-N 3.25Å; N289-S291 PolarHBondContact O-N 2.86Å
292K34.3Very low31.6Very low147 Ų147117.3 Ų117.364%0.63959%0.587SS**G310 helixtrans-81.7-13.5-177.2-147.3173.3-174.2175.40114.2N289 E290 I295N289-K292 PolarHBondContact O-N 3.25Å; E290-K292 PolarHBondContact O-N 3.15Å; E290-K292 VanDerWaalsContact O-N 3.14Å; K292-I295 HydrophobicContact CG-CD1 4.4Å; K292-I295 WeakPolarHBondContact O-CD1 3.29Å; K292-I295 WeakPolarHBondContact O-CG1 3.24Å
293W31.5Very low32.3Very low127 Ų127114.4 Ų114.448%0.48158%0.583SS.*THydrogen-bonded Turntrans-104.6-8.8-176.8-65.398.1000114.3E290 I295 F344E290-W293 PolarHBondContact O-N 3.33Å; W293-I295 PolarHBondContact O-N 3Å; W293-F344 HydrophobicContact CH2-CD2 4.08Å; W293-F344 HydrophobicContact CZ2-CD2 4.41Å
294N35.9Very low32.6Very low91 Ų91113.3 Ų113.349%0.48758%0.577SS.*THydrogen-bonded Turntrans-84.721.3168.3-73.7-23.5000112.5L296 D297 E298N294-L296 PolarHBondContact O-N 3.05Å; N294-D297 HydrophobicContact CB-CB 4.47Å; N294-D297 CarbonylContact O-C 3.49Å; N294-D297 WeakPolarHBondContact O-CA 3.43Å; N294-D297 WeakPolarHBondContact O-CB 3.31Å; N294-D297 PolarHBondContact O-N 2.98Å; N294-E298 PolarHBondContact O-N 3.46Å
295I38Very low33Very low68 Ų68107.4 Ų107.435%0.34956%0.563SS.*Hα-helixtrans-59.4-27.8178-69.4169.9000111.2K292 W293 D297 E298 V299K292-I295 HydrophobicContact CG-CD1 4.4Å; K292-I295 WeakPolarHBondContact O-CD1 3.29Å; K292-I295 WeakPolarHBondContact O-CG1 3.24Å; W293-I295 PolarHBondContact O-N 3Å; I295-D297 VanDerWaalsContact C-N 3.35Å; I295-E298 CarbonylContact O-C 3.54Å; I295-E298 WeakPolarHBondContact O-CB 3.38Å; I295-E298 PolarHBondContact O-N 3.37Å; I295-V299 HydrophobicContact CG2-CG2 3.75Å; I295-V299 WeakPolarHBondContact O-CA 3.16Å; I295-V299 WeakPolarHBondContact O-CB 3.34Å; I295-V299 WeakPolarHBondContact O-CG2 3.39Å; I295-V299 PolarHBondContact O-N 3.45Å
296L35.7Very low33.3Very low29 Ų29115.5 Ų115.515%0.15258%0.575CS.*Hα-helixtrans-69.3-33173-157.377.5000112.4W103 N294 R300 L379W103-L296 HydrophobicContact CZ3-CD1 4.25Å; N294-L296 PolarHBondContact O-N 3.05Å; L296-R300 VanDerWaalsContact O-CB 3.31Å; L296-R300 WeakPolarHBondContact O-CB 3.09Å; L296-R300 PolarHBondContact O-N 2.96Å; L296-L379 HydrophobicContact CD2-CD2 3.99Å
297D36.9Very low33.4Very low89 Ų89115.6 Ų115.648%0.47657%0.574SS.*Hα-helixtrans-73.2-32.1171.1-83.9-14.6000111.5N294 I295 R301N294-D297 HydrophobicContact CB-CB 4.47Å; N294-D297 CarbonylContact O-C 3.49Å; N294-D297 WeakPolarHBondContact O-CA 3.43Å; N294-D297 WeakPolarHBondContact O-CB 3.31Å; N294-D297 PolarHBondContact O-N 2.98Å; I295-D297 VanDerWaalsContact C-N 3.35Å; D297-R301 VanDerWaalsContact O-CB 3.31Å; D297-R301 WeakPolarHBondContact O-CB 3.41Å; D297-R301 PolarHBondContact O-N 3.39Å
298E36.9Very low33.6Very low66 Ų66113.9 Ų113.931%0.30857%0.57SS.*Hα-helixtrans-66-43.1169.7-173.495.1-169.900112.1N294 I295 R301 K302N294-E298 PolarHBondContact O-N 3.46Å; I295-E298 CarbonylContact O-C 3.54Å; I295-E298 WeakPolarHBondContact O-CB 3.38Å; I295-E298 PolarHBondContact O-N 3.37Å; E298-R301 VanDerWaalsContact CA-NH2 3.28Å; E298-R301 VanDerWaalsContact CD-NH1 3.26Å; E298-R301 CarbonylContact O-C 3.55Å; E298-R301 WeakPolarHBondContact O-CB 3.14Å; E298-R301 PolarHBondContact O-N 2.68Å; E298-R301 IonicContact OE1-NH1 2.83Å; E298-R301 IonicContact OE2-CZ 2.7Å; E298-R301 VanDerWaalsContact OE2-CZ 3.29Å; E298-R301 IonicContact OE2-NH1 3.59Å; E298-R301 PolarHBondContact OE2-NH1 3.39Å; E298-R301 IonicContact OE2-NH2 2.67Å; E298-R301 PolarHBondContact OE2-NH2 3.39Å; E298-K302 HydrophobicContact CG-CD 4.4Å; E298-K302 WeakPolarHBondContact O-CB 3.49Å; E298-K302 WeakPolarHBondContact O-CG 3.5Å; E298-K302 PolarHBondContact O-N 3.11Å; E298-K302 WeakPolarHBondContact OE1-CE 3.25Å; E298-K302 IonicContact OE1-NZ 3.18Å; E298-K302 PolarHBondContact OE1-NZ 2.76Å
299V39Very low33.7Very low30 Ų30109 Ų10918%0.18256%0.56CS.*Hα-helixtrans-71.6-38.7178.7168.70000109.5A102 I295 K302 A303A102-V299 HydrophobicContact CB-CG1 4.4Å; A102-V299 HydrophobicContact CB-CG2 4.29Å; I295-V299 HydrophobicContact CG2-CG2 3.75Å; I295-V299 WeakPolarHBondContact O-CA 3.16Å; I295-V299 WeakPolarHBondContact O-CB 3.34Å; I295-V299 WeakPolarHBondContact O-CG2 3.39Å; I295-V299 PolarHBondContact O-N 3.45Å; V299-K302 PolarHBondContact O-N 3.43Å; V299-A303 WeakPolarHBondContact O-CB 3.4Å; V299-A303 PolarHBondContact O-N 3.33Å
300R35Very low33.7Very low116 Ų116111 Ų11144%0.43857%0.57SS.*Hα-helixtrans-60.3-45.9167.2-90.3-179.5172.7-174.1-10.9110.9L296 K302 L304 E478L296-R300 VanDerWaalsContact O-CB 3.31Å; L296-R300 WeakPolarHBondContact O-CB 3.09Å; L296-R300 PolarHBondContact O-N 2.96Å; R300-K302 PolarHBondContact O-N 3.21Å; R300-L304 WeakPolarHBondContact O-CB 3.41Å; R300-L304 PolarHBondContact O-N 3.29Å; R300-E478 IonicContact NH2-OE2 2.68Å; R300-E478 PolarHBondContact NH2-OE2 3.48Å
301R32.8Very low34Very low143 Ų143107.6 Ų107.654%0.5456%0.563SS.*Hα-helixtrans-61.4-37.8176.1-108.3-176.2-63.1110.5-0.1113.7D297 E298D297-R301 VanDerWaalsContact O-CB 3.31Å; D297-R301 WeakPolarHBondContact O-CB 3.41Å; D297-R301 PolarHBondContact O-N 3.39Å; E298-R301 VanDerWaalsContact CA-NH2 3.28Å; E298-R301 VanDerWaalsContact CD-NH1 3.26Å; E298-R301 CarbonylContact O-C 3.55Å; E298-R301 WeakPolarHBondContact O-CB 3.14Å; E298-R301 PolarHBondContact O-N 2.68Å; E298-R301 IonicContact OE1-NH1 2.83Å; E298-R301 IonicContact OE2-CZ 2.7Å; E298-R301 VanDerWaalsContact OE2-CZ 3.29Å; E298-R301 IonicContact OE2-NH1 3.59Å; E298-R301 PolarHBondContact OE2-NH1 3.39Å; E298-R301 IonicContact OE2-NH2 2.67Å; E298-R301 PolarHBondContact OE2-NH2 3.39Å
302K38.8Very low34Very low156 Ų156106 Ų10668%0.67856%0.555SS**Hα-helixtrans-83.8-32.7-178.4-76.8-179.5-178.7167.80112.5E298 V299 R300E298-K302 HydrophobicContact CG-CD 4.4Å; E298-K302 WeakPolarHBondContact O-CB 3.49Å; E298-K302 WeakPolarHBondContact O-CG 3.5Å; E298-K302 PolarHBondContact O-N 3.11Å; E298-K302 WeakPolarHBondContact OE1-CE 3.25Å; E298-K302 IonicContact OE1-NZ 3.18Å; E298-K302 PolarHBondContact OE1-NZ 2.76Å; V299-K302 PolarHBondContact O-N 3.43Å; R300-K302 PolarHBondContact O-N 3.21Å
303A37.5Very low33.7Very low75 Ų75105.5 Ų105.562%0.6256%0.559SS**Hα-helixtrans-77.8-32.2178.800000112.9V299 G305V299-A303 WeakPolarHBondContact O-CB 3.4Å; V299-A303 PolarHBondContact O-N 3.33Å; A303-G305 PolarHBondContact O-N 3.05Å
304L30.9Very low33.8Very low131 Ų131102.5 Ų102.569%0.68656%0.558SS**SBendtrans-89.991.8172-78.6139.1000109.2R300 R306R300-L304 WeakPolarHBondContact O-CB 3.41Å; R300-L304 PolarHBondContact O-N 3.29Å; L304-R306 PolarHBondContact O-N 3.13Å
305G30Very low33.8Very low58 Ų58102 Ų10260%0.59857%0.566SS**  trans-51.4112.3178.300000112.8A303 T307A303-G305 PolarHBondContact O-N 3.05Å; G305-T307 VanDerWaalsContact C-N 3.26Å; G305-T307 PolarHBondContact O-N 3.42Å; G305-T307 PolarHBondContact O-OG1 3.2Å
306R30.8Very low33.3Very low256 Ų256108 Ų10897%0.96659%0.59SS**SBendtrans36.86.2153.8-92.8-176.4179.9167.60.6122.8L304L304-R306 PolarHBondContact O-N 3.13Å
307T28.7Very low33.2Very low123 Ų123111.4 Ų111.476%0.75561%0.612SS**SBendtrans-101102.3176.550.80000111.7G305 A309G305-T307 VanDerWaalsContact C-N 3.26Å; G305-T307 PolarHBondContact O-N 3.42Å; G305-T307 PolarHBondContact O-OG1 3.2Å; T307-A309 PolarHBondContact O-N 3.4Å
308N33.8Very low33Very low135 Ų135114.2 Ų114.272%0.72263%0.627SS**  trans58.633.9153-59.4-12.6000119.6L310 S311N308-L310 PolarHBondContact O-N 2.99Å; N308-L310 VanDerWaalsContact O-N 3.12Å; N308-S311 PolarHBondContact O-N 2.81Å; N308-S311 PolarHBondContact O-OG 3.34Å; N308-S311 VanDerWaalsContact O-OG 3.1Å
309A31.1Very low32.7Very low75 Ų75122.7 Ų122.762%0.6266%0.656SS**THydrogen-bonded Turntrans-64.4-11.4172.300000115.1T307 S311 A312T307-A309 PolarHBondContact O-N 3.4Å; A309-S311 VanDerWaalsContact C-N 3.32Å; A309-S311 PolarHBondContact O-N 2.67Å; A309-A312 PolarHBondContact O-N 2.87Å
310L28.8Very low32.4Very low161 Ų161125.5 Ų125.584%0.84368%0.683SS**Hα-helixtrans-69-25.5176.1-84.6163.6000113.2N308N308-L310 PolarHBondContact O-N 2.99Å; N308-L310 VanDerWaalsContact O-N 3.12Å
311S36.2Very low32.3Very low82 Ų82123.6 Ų123.657%0.57370%0.699SS**Hα-helixtrans-78.8-22.317760.50000113.5N308 A309 S314N308-S311 PolarHBondContact O-N 2.81Å; N308-S311 PolarHBondContact O-OG 3.34Å; N308-S311 VanDerWaalsContact O-OG 3.1Å; A309-S311 VanDerWaalsContact C-N 3.32Å; A309-S311 PolarHBondContact O-N 2.67Å; S311-S314 PolarHBondContact O-OG 3.34Å; S311-S314 VanDerWaalsContact O-OG 3.1Å
312A32.4Very low32.4Very low67 Ų67122.3 Ų122.355%0.55471%0.712SS**Hα-helixtrans-79.5-29.8178.100000112.5A309A309-A312 PolarHBondContact O-N 2.87Å
313L27.5Very low32.1Very low137 Ų137120.9 Ų120.972%0.71772%0.716SS**Hα-helixtrans-74.3-34.1177.3-125.291000112.6A315 F316L313-A315 VanDerWaalsContact C-N 3.25Å; L313-A315 PolarHBondContact O-N 3.27Å; L313-F316 PolarHBondContact O-N 2.69Å
314S33.3Very low32.2Very low65 Ų65121.4 Ų121.446%0.45572%0.716SS.*Hα-helixtrans-67.8-25.8176.757.60000112.8S311 F316S311-S314 PolarHBondContact O-OG 3.34Å; S311-S314 VanDerWaalsContact O-OG 3.1Å; S314-F316 VanDerWaalsContact C-N 3.31Å; S314-F316 PolarHBondContact O-N 3.19Å
315A35.3Very low33Very low80 Ų80119.4 Ų119.466%0.66171%0.713SS**Hα-helixtrans-73.3-19.4179.800000113.8L313L313-A315 VanDerWaalsContact C-N 3.25Å; L313-A315 PolarHBondContact O-N 3.27Å
316F28.1Very low33.9Very low195 Ų195123 Ų12386%0.85572%0.717SS**Hα-helixtrans-96.7-13.6-178.1-126-87.3000114.1L313 S314L313-F316 PolarHBondContact O-N 2.69Å; S314-F316 VanDerWaalsContact C-N 3.31Å; S314-F316 PolarHBondContact O-N 3.19Å
317T32.5Very low34.6Very low100 Ų100113.8 Ų113.861%0.61369%0.692SS**Hα-helixtrans-93.5-13.4-18049.40000114.8R319T317-R319 VanDerWaalsContact C-N 3.29Å; T317-R319 PolarHBondContact O-N 3.49Å
318D32.7Very low35.5Very low147 Ų147110.3 Ų110.379%0.78668%0.675SS**SBendtrans-88.214.8-175.4-75.9-5000114.8
319R32Very low36.2Very low244 Ų244109.1 Ų109.192%0.92167%0.665SS**  trans-122.350.2175.8-141.7178.5-169.4-176.32.8113.5T317T317-R319 VanDerWaalsContact C-N 3.29Å; T317-R319 PolarHBondContact O-N 3.49Å
320A33Very low37.7Very low90 Ų90109.5 Ų109.574%0.74466%0.66SS**  trans-125.993.7161.700000108.9S322A320-S322 PolarHBondContact O-N 3.34Å
321G32.4Very low39.6Very low75 Ų75106.6 Ų106.677%0.77365%0.645SS**  trans-56.8132.2170.200000110.4T323G321-T323 PolarHBondContact O-N 3.44Å; G321-T323 VanDerWaalsContact O-N 3.07Å
322S34.8Very low41.6Very low116 Ų116107.1 Ų107.181%0.81164%0.641SS**SBendtrans-5999.9-177.752.50000112.8A320A320-S322 PolarHBondContact O-N 3.34Å
323T32.4Very low43.8Very low126 Ų126112.7 Ų112.777%0.77365%0.647SS**SBendtrans-156.3128.7152.338.60000111G321G321-T323 PolarHBondContact O-N 3.44Å; G321-T323 VanDerWaalsContact O-N 3.07Å
324S39.5Very low46.3Very low87 Ų87111.3 Ų111.361%0.60864%0.636SS**  trans53.290.3173.661.40000118.1I326S324-I326 VanDerWaalsContact C-N 3.33Å; S324-I326 PolarHBondContact O-N 2.83Å
325S48.3Very low48.6Very low88 Ų88111.8 Ų111.862%0.61563%0.633SS**Hα-helixtrans-70.9-9.2-175.149.20000116.9Q329S325-Q329 VanDerWaalsContact O-CG 3.24Å; S325-Q329 WeakPolarHBondContact O-CG 3.45Å
326I48.3Very low50.9Low135 Ų135114.6 Ų114.669%0.69263%0.63SS**Hα-helixtrans-91.7-43.9-174-63.2170.9000112.1S324 Q329 T330S324-I326 VanDerWaalsContact C-N 3.33Å; S324-I326 PolarHBondContact O-N 2.83Å; I326-Q329 PolarHBondContact O-N 3Å; I326-T330 PolarHBondContact O-N 2.91Å; I326-T330 PolarHBondContact O-OG1 3.5Å
327S46.6Very low53.5Low62 Ų62111.4 Ų111.443%0.43462%0.617SS.*Hα-helixtrans-69.5-39.6179.551.10000112.6Q329 T330 D331S327-Q329 VanDerWaalsContact C-N 3.31Å; S327-Q329 PolarHBondContact O-N 2.9Å; S327-T330 WeakPolarHBondContact CA-OG1 3.31Å; S327-T330 PolarHBondContact O-N 3.5Å; S327-T330 PolarHBondContact O-OG1 2.98Å; S327-D331 PolarHBondContact O-N 3.36Å; S327-D331 VanDerWaalsContact O-N 3.15Å
328A47.3Very low56Low49 Ų49109.9 Ų109.941%0.40560%0.602SS.*Hα-helixtrans-64-35.2176.300000112.3I332A328-I332 WeakPolarHBondContact O-CD1 3.44Å; A328-I332 WeakPolarHBondContact O-CG1 3.41Å; A328-I332 PolarHBondContact O-N 3.15Å; A328-I332 VanDerWaalsContact O-N 3.11Å
329Q47.7Very low58.7Low111 Ų111107.4 Ų107.452%0.51958%0.582SS.*Hα-helixtrans-69.7-39.3177.2-79.6-178.3500112.5S325 I326 S327 I332 R333S325-Q329 VanDerWaalsContact O-CG 3.24Å; S325-Q329 WeakPolarHBondContact O-CG 3.45Å; I326-Q329 PolarHBondContact O-N 3Å; S327-Q329 VanDerWaalsContact C-N 3.31Å; S327-Q329 PolarHBondContact O-N 2.9Å; Q329-I332 PolarHBondContact O-N 2.89Å; Q329-R333 WeakPolarHBondContact O-CG 3.42Å; Q329-R333 PolarHBondContact O-N 3.48Å
330T61.8Low61.2Low82 Ų8298.6 Ų98.650%0.50356%0.561SS.*Hα-helixtrans-64.4-41.317639.40000112.1I326 S327 R333 F334I326-T330 PolarHBondContact O-N 2.91Å; I326-T330 PolarHBondContact O-OG1 3.5Å; S327-T330 WeakPolarHBondContact CA-OG1 3.31Å; S327-T330 PolarHBondContact O-N 3.5Å; S327-T330 PolarHBondContact O-OG1 2.98Å; T330-R333 PolarHBondContact O-N 3.12Å; T330-F334 WeakPolarHBondContact O-CB 3.48Å; T330-F334 PolarHBondContact O-N 3.27Å
331D70.5Confident63.9Low100 Ų10096.5 Ų96.554%0.53554%0.54SS..Hα-helixtrans-65.5-42.6177.5-74.1-20.2000111.8S327 R333 F334 I335S327-D331 PolarHBondContact O-N 3.36Å; S327-D331 VanDerWaalsContact O-N 3.15Å; D331-R333 PolarHBondContact O-N 3.06Å; D331-F334 PolarHBondContact O-N 3.38Å; D331-I335 WeakPolarHBondContact O-CB 3.19Å; D331-I335 VanDerWaalsContact O-CG1 3.25Å; D331-I335 WeakPolarHBondContact O-CG1 3.36Å; D331-I335 PolarHBondContact O-N 3.27Å
332I77.9Confident66.5Low94 Ų9493 Ų9348%0.48250%0.503SS..Hα-helixtrans-62.2-42.8176.7-68.4164.8000111A328 Q329 K336A328-I332 WeakPolarHBondContact O-CD1 3.44Å; A328-I332 WeakPolarHBondContact O-CG1 3.41Å; A328-I332 PolarHBondContact O-N 3.15Å; A328-I332 VanDerWaalsContact O-N 3.11Å; Q329-I332 PolarHBondContact O-N 2.89Å; I332-K336 HydrophobicContact CG2-CD 4.26Å; I332-K336 WeakPolarHBondContact O-CB 3.48Å; I332-K336 VanDerWaalsContact O-CG 3.31Å; I332-K336 WeakPolarHBondContact O-CG 3.42Å; I332-K336 PolarHBondContact O-N 3.28Å
333R78.2Confident69.2Low184 Ų18490.1 Ų90.169%0.69447%0.474SS*.Hα-helixtrans-63.5-44.3176.8-74.4-177.6-172.4-170.42.3111.5Q329 T330 D331 K336 Q337Q329-R333 WeakPolarHBondContact O-CG 3.42Å; Q329-R333 PolarHBondContact O-N 3.48Å; T330-R333 PolarHBondContact O-N 3.12Å; D331-R333 PolarHBondContact O-N 3.06Å; R333-K336 PolarHBondContact O-N 2.86Å; R333-Q337 WeakPolarHBondContact O-CB 3.45Å; R333-Q337 PolarHBondContact O-N 2.99Å
334F80.4Confident71.8Confident107 Ų10786.2 Ų86.247%0.46945%0.447SS..Hα-helixtrans-64.3-42.7179-176-105.8000112.6T330 D331 Q337 K338T330-F334 WeakPolarHBondContact O-CB 3.48Å; T330-F334 PolarHBondContact O-N 3.27Å; D331-F334 PolarHBondContact O-N 3.38Å; F334-Q337 PolarHBondContact O-N 3.43Å; F334-K338 HydrophobicContact CD1-CD 4.14Å; F334-K338 HydrophobicContact CE1-CD 3.57Å; F334-K338 HydrophobicContact CE1-CG 4.27Å; F334-K338 HydrophobicContact CZ-CD 3.84Å; F334-K338 HydrophobicContact CZ-CG 4.29Å; F334-K338 PolarHBondContact O-N 3.3Å
335I82Confident74.2Confident76 Ų7684.4 Ų84.439%0.3943%0.428SS..Hα-helixtrans-61.9-44.7174.6-68.9166.1000110.6D331 R339 I375D331-I335 WeakPolarHBondContact O-CB 3.19Å; D331-I335 VanDerWaalsContact O-CG1 3.25Å; D331-I335 WeakPolarHBondContact O-CG1 3.36Å; D331-I335 PolarHBondContact O-N 3.27Å; I335-R339 VanDerWaalsContact O-CB 3.26Å; I335-R339 WeakPolarHBondContact O-CB 3.39Å; I335-R339 PolarHBondContact O-N 2.88Å; I335-I375 HydrophobicContact CG2-CG2 3.92Å
336K82Confident76.4Confident138 Ų13880.2 Ų80.260%0.640%0.399SS*.Hα-helixtrans-60.9-44.8176.3-77-179.9177.8-172.60111.8I332 R333 R339 A340I332-K336 HydrophobicContact CG2-CD 4.26Å; I332-K336 WeakPolarHBondContact O-CB 3.48Å; I332-K336 VanDerWaalsContact O-CG 3.31Å; I332-K336 WeakPolarHBondContact O-CG 3.42Å; I332-K336 PolarHBondContact O-N 3.28Å; R333-K336 PolarHBondContact O-N 2.86Å; K336-R339 PolarHBondContact O-N 3.1Å; K336-A340 WeakPolarHBondContact O-CB 3.41Å; K336-A340 PolarHBondContact O-N 2.91Å
337Q83.1Confident78.3Confident128 Ų12875.6 Ų75.660%0.59837%0.373SS*.Hα-helixtrans-64.9-46.7179.2-172.4-178.812.200112.1R333 F334 R339 A340 T341R333-Q337 WeakPolarHBondContact O-CB 3.45Å; R333-Q337 PolarHBondContact O-N 2.99Å; F334-Q337 PolarHBondContact O-N 3.43Å; Q337-R339 VanDerWaalsContact C-N 3.3Å; Q337-R339 PolarHBondContact O-N 3.07Å; Q337-A340 PolarHBondContact O-N 3.05Å; Q337-T341 WeakPolarHBondContact O-CB 3.21Å; Q337-T341 PolarHBondContact O-N 3.5Å; Q337-T341 PolarHBondContact O-OG1 2.83Å
338K85.9Confident80.2Confident68 Ų6872.7 Ų72.730%0.29635%0.352SS..Hα-helixtrans-62.4-38.5175.8-77.7-172.4158.71760111.8F334 T341 G342 I375F334-K338 HydrophobicContact CD1-CD 4.14Å; F334-K338 HydrophobicContact CE1-CD 3.57Å; F334-K338 HydrophobicContact CE1-CG 4.27Å; F334-K338 HydrophobicContact CZ-CD 3.84Å; F334-K338 HydrophobicContact CZ-CG 4.29Å; F334-K338 PolarHBondContact O-N 3.3Å; K338-T341 PolarHBondContact O-N 2.74Å; K338-G342 PolarHBondContact O-N 2.83Å; K338-I375 HydrophobicContact CB-CD1 3.53Å; K338-I375 HydrophobicContact CB-CG1 4.43Å
339R88.8Confident82.2Confident95 Ų9570.4 Ų70.436%0.35833%0.333SS..Hα-helixtrans-62.6-51.7175.7-176.2-176.3-68.8170.3-0110.7I335 K336 Q337 T341 G342 R343 I375 D377I335-R339 VanDerWaalsContact O-CB 3.26Å; I335-R339 WeakPolarHBondContact O-CB 3.39Å; I335-R339 PolarHBondContact O-N 2.88Å; K336-R339 PolarHBondContact O-N 3.1Å; Q337-R339 VanDerWaalsContact C-N 3.3Å; Q337-R339 PolarHBondContact O-N 3.07Å; R339-T341 VanDerWaalsContact C-N 3.3Å; R339-T341 PolarHBondContact O-N 2.83Å; R339-G342 PolarHBondContact O-N 3.2Å; R339-R343 WeakPolarHBondContact O-CB 3.39Å; R339-R343 VanDerWaalsContact O-CG 3.22Å; R339-R343 WeakPolarHBondContact O-CG 3.49Å; R339-R343 PolarHBondContact O-N 3.44Å; R339-I375 HydrophobicContact CB-CD1 3.84Å; R339-D377 WeakPolarHBondContact CG-OD2 3.48Å
340A85.1Confident84.2Confident59 Ų5965.4 Ų65.449%0.48831%0.31SS..Hα-helixtrans-58.1-44.1177.600000111.5K336 Q337 F344K336-A340 WeakPolarHBondContact O-CB 3.41Å; K336-A340 PolarHBondContact O-N 2.91Å; Q337-A340 PolarHBondContact O-N 3.05Å; A340-F344 WeakPolarHBondContact O-CB 3.37Å; A340-F344 PolarHBondContact O-N 2.7Å
341T88.2Confident85.4Confident47 Ų4761.6 Ų61.629%0.28829%0.286SS..Hα-helixtrans-62.6-48.8177.9-54.20000111.6Q337 K338 R339 R343 F344 K345Q337-T341 WeakPolarHBondContact O-CB 3.21Å; Q337-T341 PolarHBondContact O-N 3.5Å; Q337-T341 PolarHBondContact O-OG1 2.83Å; K338-T341 PolarHBondContact O-N 2.74Å; R339-T341 VanDerWaalsContact C-N 3.3Å; R339-T341 PolarHBondContact O-N 2.83Å; T341-R343 PolarHBondContact O-N 3.29Å; T341-F344 PolarHBondContact O-N 3.29Å; T341-K345 HydrophobicContact CG2-CG 4.44Å; T341-K345 VanDerWaalsContact O-CG 3.26Å; T341-K345 WeakPolarHBondContact O-CG 3.2Å; T341-K345 PolarHBondContact O-N 2.76Å
342G88.5Confident86.2Confident0 Ų056.9 Ų56.90%026%0.262CS..Hα-helixtrans-62.9-43.2179.700000113.1K338 R339 F344 K345 K346 A368K338-G342 PolarHBondContact O-N 2.83Å; R339-G342 PolarHBondContact O-N 3.2Å; G342-F344 VanDerWaalsContact C-N 3.32Å; G342-F344 PolarHBondContact O-N 3.49Å; G342-K345 PolarHBondContact O-N 2.76Å; G342-K346 PolarHBondContact O-N 3.06Å; G342-A368 WeakPolarHBondContact O-CB 3.35Å
343R90.5Very high86.8Confident57 Ų5752.5 Ų52.522%0.21524%0.239CC..Hα-helixtrans-62.8-40.9174.6-65.9-177.5179.1-173.9-6.4111.9R339 T341 K346 Y347 L372 D377 W380R339-R343 WeakPolarHBondContact O-CB 3.39Å; R339-R343 VanDerWaalsContact O-CG 3.22Å; R339-R343 WeakPolarHBondContact O-CG 3.49Å; R339-R343 PolarHBondContact O-N 3.44Å; T341-R343 PolarHBondContact O-N 3.29Å; R343-K346 WeakPolarHBondContact O-CB 3.42Å; R343-K346 PolarHBondContact O-N 2.96Å; R343-Y347 PolarHBondContact O-N 3.3Å; R343-L372 HydrophobicContact CG-CD2 4.15Å; R343-D377 IonicContact CZ-OD2 2.85Å; R343-D377 IonicContact NE-OD2 2.82Å; R343-D377 PolarHBondContact NE-OD2 2.86Å; R343-D377 IonicContact NH2-OD1 3.21Å; R343-D377 IonicContact NH2-OD2 2.68Å; R343-D377 PolarHBondContact NH2-OD2 2.99Å; R343-W380 HydrophobicContact CB-CD2 3.98Å; R343-W380 HydrophobicContact CB-CE3 3.74Å; R343-W380 HydrophobicContact CB-CH2 3.99Å; R343-W380 HydrophobicContact CB-CZ2 4.21Å; R343-W380 HydrophobicContact CB-CZ3 3.74Å; R343-W380 VanDerWaalsContact CD-CE2 3.5Å; R343-W380 HydrophobicContact CG-CB 4.38Å; R343-W380 HydrophobicContact CG-CD2 3.44Å; R343-W380 VanDerWaalsContact CG-CD2 3.44Å; R343-W380 HydrophobicContact CG-CE3 3.73Å; R343-W380 HydrophobicContact CG-CG 3.74Å; R343-W380 HydrophobicContact CG-CH2 4.33Å; R343-W380 HydrophobicContact CG-CZ2 4.08Å; R343-W380 HydrophobicContact CG-CZ3 4.16Å; R343-W380 WeakPolarHBondContact O-CZ3 3.3Å
344F86.9Confident87.2Confident44 Ų4444 Ų4419%0.19321%0.207CC..Hα-helixtrans-65.3-41176.6178.6-111.6000112.2K257 W293 A340 T341 G342 Y347 L348K257-F344 HydrophobicContact CB-CE2 4.18Å; K257-F344 HydrophobicContact CB-CZ 3.55Å; K257-F344 HydrophobicContact CD-CE2 3.6Å; K257-F344 HydrophobicContact CD-CZ 3.88Å; K257-F344 HydrophobicContact CG-CZ 4.34Å; W293-F344 HydrophobicContact CH2-CD2 4.08Å; W293-F344 HydrophobicContact CZ2-CD2 4.41Å; A340-F344 WeakPolarHBondContact O-CB 3.37Å; A340-F344 PolarHBondContact O-N 2.7Å; T341-F344 PolarHBondContact O-N 3.29Å; G342-F344 VanDerWaalsContact C-N 3.32Å; G342-F344 PolarHBondContact O-N 3.49Å; F344-Y347 PolarHBondContact O-N 3.12Å; F344-L348 HydrophobicContact CD1-CD1 4.02Å; F344-L348 HydrophobicContact CD1-CG 4.46Å; F344-L348 HydrophobicContact CE1-CD1 3.34Å; F344-L348 HydrophobicContact CE1-CD2 4.43Å; F344-L348 HydrophobicContact CE1-CG 3.87Å; F344-L348 HydrophobicContact CE2-CD1 4.43Å; F344-L348 HydrophobicContact CE2-CD2 4.24Å; F344-L348 HydrophobicContact CE2-CG 4.04Å; F344-L348 HydrophobicContact CZ-CD1 3.54Å; F344-L348 HydrophobicContact CZ-CD2 3.75Å; F344-L348 HydrophobicContact CZ-CG 3.58Å; F344-L348 PolarHBondContact O-N 2.59Å
345K91.2Very high87.3Confident48 Ų4839.7 Ų39.721%0.20919%0.189CC..Hα-helixtrans-61.9-41.9174-70.9-68.4-178-170.60112.3T341 G342 Y347 L348 G349 L367 A368T341-K345 HydrophobicContact CG2-CG 4.44Å; T341-K345 VanDerWaalsContact O-CG 3.26Å; T341-K345 WeakPolarHBondContact O-CG 3.2Å; T341-K345 PolarHBondContact O-N 2.76Å; G342-K345 PolarHBondContact O-N 2.76Å; K345-Y347 VanDerWaalsContact C-N 3.34Å; K345-Y347 PolarHBondContact O-N 2.92Å; K345-L348 HydrophobicContact CD-CD1 4.46Å; K345-L348 PolarHBondContact O-N 3.02Å; K345-G349 PolarHBondContact O-N 2.96Å; K345-L367 HydrophobicContact CD-CB 4.46Å; K345-A368 HydrophobicContact CB-CB 3.85Å
346K92.8Very high87.3Confident1 Ų137.5 Ų37.50%0.00419%0.185CC..Hα-helixtrans-57.1-49.7173.2-169.4-83.4171.9-1670110.8F106 G342 R343 L348 G349 D350 Y365 A368 W380 G383 A384F106-K346 PolarHBondContact O-NZ 3.38Å; G342-K346 PolarHBondContact O-N 3.06Å; R343-K346 WeakPolarHBondContact O-CB 3.42Å; R343-K346 PolarHBondContact O-N 2.96Å; K346-L348 VanDerWaalsContact C-N 3.34Å; K346-L348 PolarHBondContact O-N 2.74Å; K346-G349 WeakPolarHBondContact O-CA 3.42Å; K346-G349 PolarHBondContact O-N 2.68Å; K346-G349 VanDerWaalsContact O-N 3.07Å; K346-D350 WeakPolarHBondContact CD-OD2 3.38Å; K346-D350 WeakPolarHBondContact CE-OD1 3.49Å; K346-D350 WeakPolarHBondContact CE-OD2 3.38Å; K346-D350 IonicContact NZ-OD1 2.7Å; K346-D350 PolarHBondContact NZ-OD1 2.76Å; K346-D350 IonicContact NZ-OD2 2.91Å; K346-D350 PolarHBondContact NZ-OD2 2.94Å; K346-D350 PolarHBondContact O-N 3.06Å; K346-D350 VanDerWaalsContact O-N 3.08Å; K346-Y365 HydrophobicContact CD-CE1 4.46Å; K346-Y365 HydrophobicContact CG-CD1 4.32Å; K346-Y365 HydrophobicContact CG-CE1 4.25Å; K346-A368 HydrophobicContact CB-CB 3.92Å; K346-W380 HydrophobicContact CB-CE3 4.15Å; K346-W380 HydrophobicContact CB-CZ3 4.43Å; K346-W380 HydrophobicContact CD-CE3 4.19Å; K346-W380 HydrophobicContact CD-CZ3 4.23Å; K346-W380 HydrophobicContact CG-CE3 4.27Å; K346-G383 WeakPolarHBondContact CE-O 3.5Å; K346-A384 HydrophobicContact CG-CB 4Å
347Y88Confident87.4Confident38 Ų3834.3 Ų34.315%0.14918%0.175CC..Hα-helixtrans-61.6-39.2179.2-179.6-99.6000112.7P108 R343 F344 K345 G349 D350 I351P108-Y347 HydrophobicContact CB-CE2 4.47Å; P108-Y347 HydrophobicContact CG-CD2 3.75Å; P108-Y347 HydrophobicContact CG-CE2 3.74Å; R343-Y347 PolarHBondContact O-N 3.3Å; F344-Y347 PolarHBondContact O-N 3.12Å; K345-Y347 VanDerWaalsContact C-N 3.34Å; K345-Y347 PolarHBondContact O-N 2.92Å; Y347-G349 VanDerWaalsContact C-N 3.32Å; Y347-D350 PolarHBondContact O-N 2.81Å; Y347-I351 HydrophobicContact CD1-CD1 3.91Å; Y347-I351 HydrophobicContact CE1-CD1 3.32Å; Y347-I351 HydrophobicContact CE1-CG1 4.2Å; Y347-I351 PolarHBondContact O-N 2.91Å
348L86.8Confident87.6Confident1 Ų129.6 Ų29.61%0.00515%0.153CC..Hα-helixtrans-61.8-40.5171.9-76.1177.2000112L254 F344 K345 K346 D350 I351 C352 Q364L254-L348 HydrophobicContact CD2-CD2 3.92Å; L254-L348 HydrophobicContact CG-CD2 4.35Å; F344-L348 HydrophobicContact CD1-CD1 4.02Å; F344-L348 HydrophobicContact CD1-CG 4.46Å; F344-L348 HydrophobicContact CE1-CD1 3.34Å; F344-L348 HydrophobicContact CE1-CD2 4.43Å; F344-L348 HydrophobicContact CE1-CG 3.87Å; F344-L348 HydrophobicContact CE2-CD1 4.43Å; F344-L348 HydrophobicContact CE2-CD2 4.24Å; F344-L348 HydrophobicContact CE2-CG 4.04Å; F344-L348 HydrophobicContact CZ-CD1 3.54Å; F344-L348 HydrophobicContact CZ-CD2 3.75Å; F344-L348 HydrophobicContact CZ-CG 3.58Å; F344-L348 PolarHBondContact O-N 2.59Å; K345-L348 HydrophobicContact CD-CD1 4.46Å; K345-L348 PolarHBondContact O-N 3.02Å; K346-L348 VanDerWaalsContact C-N 3.34Å; K346-L348 PolarHBondContact O-N 2.74Å; L348-D350 VanDerWaalsContact C-N 3.3Å; L348-D350 PolarHBondContact O-N 3.43Å; L348-I351 PolarHBondContact O-N 2.72Å; L348-C352 PolarHBondContact O-N 2.81Å; L348-C352 PolarHBondContact O-SG 2.85Å; L348-Q364 HydrophobicContact CB-CG 4.11Å
349G90.2Very high87.6Confident0 Ų031.8 Ų31.80%016%0.164CC..Hα-helixtrans-57.7-42.7174.800000112.5K345 K346 Y347 C352 L353 A361K345-G349 PolarHBondContact O-N 2.96Å; K346-G349 WeakPolarHBondContact O-CA 3.42Å; K346-G349 PolarHBondContact O-N 2.68Å; K346-G349 VanDerWaalsContact O-N 3.07Å; Y347-G349 VanDerWaalsContact C-N 3.32Å; G349-C352 PolarHBondContact O-N 3.45Å; G349-L353 WeakPolarHBondContact O-CB 3.23Å; G349-L353 PolarHBondContact O-N 3.28Å; G349-A361 WeakPolarHBondContact O-CB 3.41Å
350D90Very high87.5Confident6 Ų630.3 Ų30.33%0.03216%0.162CC..Hα-helixtrans-63.3-42.8176.5-58.4-37.4000112.7P108 K346 Y347 L348 L353 Q354 Y365P108-D350 HydrophobicContact CB-CB 4.11Å; P108-D350 VanDerWaalsContact CD-CG 3.48Å; P108-D350 WeakPolarHBondContact CD-OD2 3.43Å; P108-D350 HydrophobicContact CG-CB 3.51Å; P108-D350 WeakPolarHBondContact CG-OD2 3.38Å; K346-D350 WeakPolarHBondContact CD-OD2 3.38Å; K346-D350 WeakPolarHBondContact CE-OD1 3.49Å; K346-D350 WeakPolarHBondContact CE-OD2 3.38Å; K346-D350 IonicContact NZ-OD1 2.7Å; K346-D350 PolarHBondContact NZ-OD1 2.76Å; K346-D350 IonicContact NZ-OD2 2.91Å; K346-D350 PolarHBondContact NZ-OD2 2.94Å; K346-D350 PolarHBondContact O-N 3.06Å; K346-D350 VanDerWaalsContact O-N 3.08Å; Y347-D350 PolarHBondContact O-N 2.81Å; L348-D350 VanDerWaalsContact C-N 3.3Å; L348-D350 PolarHBondContact O-N 3.43Å; D350-L353 WeakPolarHBondContact O-CB 3.27Å; D350-L353 PolarHBondContact O-N 3.02Å; D350-Q354 WeakPolarHBondContact O-CG 3.49Å; D350-Q354 PolarHBondContact O-N 3.49Å; D350-Y365 VanDerWaalsContact CA-OH 3.28Å; D350-Y365 WeakPolarHBondContact CA-OH 3.27Å; D350-Y365 PolarHBondContact N-OH 2.93Å; D350-Y365 WeakPolarHBondContact OD1-CE1 3.27Å; D350-Y365 PolarHBondContact OD1-OH 2.7Å
351I87.3Confident87.7Confident2 Ų227.5 Ų27.51%0.0114%0.139CC..Hα-helixtrans-65.7-44.2177.7-62174.2000110L250 L254 Y347 L348 L353 Q354 L355L250-I351 HydrophobicContact CB-CG2 4.33Å; L250-I351 HydrophobicContact CD2-CG2 4.46Å; L254-I351 HydrophobicContact CD1-CB 4.2Å; L254-I351 HydrophobicContact CD1-CG2 3.44Å; L254-I351 VanDerWaalsContact CD1-CG2 3.44Å; L254-I351 HydrophobicContact CG-CG2 4.09Å; Y347-I351 HydrophobicContact CD1-CD1 3.91Å; Y347-I351 HydrophobicContact CE1-CD1 3.32Å; Y347-I351 HydrophobicContact CE1-CG1 4.2Å; Y347-I351 PolarHBondContact O-N 2.91Å; L348-I351 PolarHBondContact O-N 2.72Å; I351-L353 VanDerWaalsContact C-N 3.26Å; I351-L353 PolarHBondContact O-N 3.41Å; I351-Q354 PolarHBondContact O-N 3.44Å; I351-L355 HydrophobicContact CG2-CD1 4.21Å; I351-L355 HydrophobicContact CG2-CG 4.35Å; I351-L355 WeakPolarHBondContact O-CG 3.46Å; I351-L355 PolarHBondContact O-N 3.01Å
352C86.7Confident87.9Confident2 Ų225.7 Ų25.71%0.01413%0.128CC..Hα-helixtrans-57.8-41.9175.5-68.30000111.3L348 G349 L355 G356 D357 M360 A361L348-C352 PolarHBondContact O-N 2.81Å; L348-C352 PolarHBondContact O-SG 2.85Å; G349-C352 PolarHBondContact O-N 3.45Å; C352-L355 PolarHBondContact O-N 3.26Å; C352-G356 PolarHBondContact O-N 3.1Å; C352-D357 PolarHBondContact O-N 3.23Å; C352-M360 HydrophobicContact CB-CB 4.33Å; C352-A361 HydrophobicContact CB-CB 3.85Å
353L89.5Confident88Confident1 Ų128.7 Ų28.71%0.00514%0.143CC..Hα-helixtrans-61.7-43.9175.9-179.359.6000111.7H13 K14 G349 D350 I351 L355 G356 L358 A361 A390 V391H13-L353 HydrophobicContact CB-CD2 3.64Å; K14-L353 HydrophobicContact CB-CD1 4.29Å; K14-L353 HydrophobicContact CB-CG 4.46Å; G349-L353 WeakPolarHBondContact O-CB 3.23Å; G349-L353 PolarHBondContact O-N 3.28Å; D350-L353 WeakPolarHBondContact O-CB 3.27Å; D350-L353 PolarHBondContact O-N 3.02Å; I351-L353 VanDerWaalsContact C-N 3.26Å; I351-L353 PolarHBondContact O-N 3.41Å; L353-L355 VanDerWaalsContact C-N 3.33Å; L353-L355 PolarHBondContact O-N 3.19Å; L353-G356 PolarHBondContact O-N 2.86Å; L353-L358 HydrophobicContact CD1-CD2 3.63Å; L353-A361 HydrophobicContact CB-CB 4.03Å; L353-A390 HydrophobicContact CD2-CB 3.78Å; L353-V391 HydrophobicContact CD1-CG2 3.99Å
354Q87Confident88.1Confident7 Ų726.2 Ų26.23%0.03313%0.134CC..Hα-helixtrans-66.5-31.3176.2-72.4-179-44.100113.7H13 V16 P108 D350 I351 G356H13-Q354 WeakPolarHBondContact O-CG 3.18Å; V16-Q354 HydrophobicContact CG2-CB 4.38Å; P108-Q354 PolarHBondContact O-NE2 3.45Å; D350-Q354 WeakPolarHBondContact O-CG 3.49Å; D350-Q354 PolarHBondContact O-N 3.49Å; I351-Q354 PolarHBondContact O-N 3.44Å; Q354-G356 PolarHBondContact O-N 3.31Å
355L82.9Confident88.5Confident16 Ų1624.1 Ų24.18%0.08413%0.125CC..THydrogen-bonded Turntrans-76.2-7.1172.7-68.3-179.8000113Y247 L250 L254 I351 C352 L353 D357Y247-L355 HydrophobicContact CD2-CD2 3.54Å; Y247-L355 HydrophobicContact CE2-CD2 3.74Å; Y247-L355 HydrophobicContact CG-CD2 4.29Å; L250-L355 HydrophobicContact CB-CD2 3.85Å; L250-L355 HydrophobicContact CB-CG 4.49Å; L250-L355 HydrophobicContact CD1-CD2 4.39Å; L254-L355 HydrophobicContact CD1-CD1 3.26Å; L254-L355 HydrophobicContact CD1-CG 4.45Å; I351-L355 HydrophobicContact CG2-CD1 4.21Å; I351-L355 HydrophobicContact CG2-CG 4.35Å; I351-L355 WeakPolarHBondContact O-CG 3.46Å; I351-L355 PolarHBondContact O-N 3.01Å; C352-L355 PolarHBondContact O-N 3.26Å; L353-L355 VanDerWaalsContact C-N 3.33Å; L353-L355 PolarHBondContact O-N 3.19Å; L355-D357 VanDerWaalsContact C-N 3.35Å
356G81.8Confident88.6Confident29 Ų2925 Ų2530%0.29913%0.131SC..THydrogen-bonded Turntrans81.48.6-17800000114.8C352 L353 Q354 L358C352-G356 PolarHBondContact O-N 3.1Å; L353-G356 PolarHBondContact O-N 2.86Å; Q354-G356 PolarHBondContact O-N 3.31Å; G356-L358 PolarHBondContact O-N 3.17Å
357D84.1Confident88.5Confident72 Ų7227.4 Ų27.439%0.38514%0.144SC..  trans-87.286.7175.4-171.1-15.7000110.2C352 L355 M360 A361C352-D357 PolarHBondContact O-N 3.23Å; L355-D357 VanDerWaalsContact C-N 3.35Å; D357-M360 HydrophobicContact CB-CB 4.35Å; D357-M360 VanDerWaalsContact CG-CB 3.41Å; D357-M360 WeakPolarHBondContact OD1-CB 3.49Å; D357-M360 PolarHBondContact OD1-N 3.3Å; D357-M360 VanDerWaalsContact OD1-N 3.07Å; D357-M360 WeakPolarHBondContact OD2-CB 3.23Å; D357-A361 VanDerWaalsContact O-CB 3.29Å; D357-A361 WeakPolarHBondContact O-CB 3.44Å; D357-A361 PolarHBondContact O-N 2.8Å
358L87.3Confident88.8Confident29 Ų2925.6 Ų25.615%0.15214%0.137CC..Hα-helixtrans-69.9-36.8-174-57.8-177.6000112.7L353 G356 A361 Q362 V391 C394 Q395L353-L358 HydrophobicContact CD1-CD2 3.63Å; G356-L358 PolarHBondContact O-N 3.17Å; L358-A361 PolarHBondContact O-N 3.28Å; L358-Q362 WeakPolarHBondContact O-CB 3.44Å; L358-Q362 PolarHBondContact O-N 2.92Å; L358-V391 HydrophobicContact CB-CG1 4.35Å; L358-C394 HydrophobicContact CD1-CB 3.95Å; L358-C394 HydrophobicContact CD2-CB 3.8Å; L358-Q395 HydrophobicContact CD1-CG 4.06Å
359E85.9Confident89.1Confident113 Ų11326.9 Ų26.953%0.52814%0.143SC..Hα-helixtrans-65.6-48.4179.9-68.2-177.4-172.500110.3A361 Q362 I363 P455E359-A361 VanDerWaalsContact C-N 3.32Å; E359-A361 PolarHBondContact O-N 2.72Å; E359-Q362 PolarHBondContact O-N 3.32Å; E359-I363 WeakPolarHBondContact O-CG1 3.31Å; E359-I363 PolarHBondContact O-N 2.97Å; E359-I363 VanDerWaalsContact O-N 3.08Å; E359-P455 HydrophobicContact CB-CG 4.36Å
360M86.6Confident89.2Confident64 Ų6432.5 Ų32.532%0.31517%0.17SC..Hα-helixtrans-67.4-36.5178.8-165.357.4-170.900111.6C352 D357 I363 Q364C352-M360 HydrophobicContact CB-CB 4.33Å; D357-M360 HydrophobicContact CB-CB 4.35Å; D357-M360 VanDerWaalsContact CG-CB 3.41Å; D357-M360 WeakPolarHBondContact OD1-CB 3.49Å; D357-M360 PolarHBondContact OD1-N 3.3Å; D357-M360 VanDerWaalsContact OD1-N 3.07Å; D357-M360 WeakPolarHBondContact OD2-CB 3.23Å; M360-I363 PolarHBondContact O-N 2.95Å; M360-Q364 HydrophobicContact CE-CG 4.05Å; M360-Q364 WeakPolarHBondContact O-CG 3.18Å; M360-Q364 PolarHBondContact O-N 3.22Å
361A90.5Very high89.2Confident0 Ų034.9 Ų34.90%018%0.181CC..Hα-helixtrans-58.9-48.6173.600000111.7G349 C352 L353 D357 L358 E359 I363 Q364 Y365 V391G349-A361 WeakPolarHBondContact O-CB 3.41Å; C352-A361 HydrophobicContact CB-CB 3.85Å; L353-A361 HydrophobicContact CB-CB 4.03Å; D357-A361 VanDerWaalsContact O-CB 3.29Å; D357-A361 WeakPolarHBondContact O-CB 3.44Å; D357-A361 PolarHBondContact O-N 2.8Å; L358-A361 PolarHBondContact O-N 3.28Å; E359-A361 VanDerWaalsContact C-N 3.32Å; E359-A361 PolarHBondContact O-N 2.72Å; A361-I363 PolarHBondContact O-N 3.36Å; A361-Q364 PolarHBondContact O-N 3.16Å; A361-Y365 HydrophobicContact CB-CE2 4.22Å; A361-Y365 WeakPolarHBondContact O-CD2 3.29Å; A361-Y365 PolarHBondContact O-N 2.8Å; A361-V391 HydrophobicContact CB-CG2 3.9Å
362Q92.2Very high89.4Confident10 Ų1034.8 Ų34.85%0.04718%0.18CC..Hα-helixtrans-59.1-46178.5-169.7174.2-13.200111.9L358 E359 Q364 Y365 N366 L388 V391 L456 I458L358-Q362 WeakPolarHBondContact O-CB 3.44Å; L358-Q362 PolarHBondContact O-N 2.92Å; E359-Q362 PolarHBondContact O-N 3.32Å; Q362-Q364 PolarHBondContact O-N 3.27Å; Q362-Y365 PolarHBondContact O-N 3.39Å; Q362-N366 PolarHBondContact O-N 3.04Å; Q362-N366 PolarHBondContact O-ND2 3.35Å; Q362-L388 HydrophobicContact CG-CD2 3.97Å; Q362-V391 HydrophobicContact CB-CG1 4.25Å; Q362-L456 PolarHBondContact NE2-O 3.3Å; Q362-I458 HydrophobicContact CG-CD1 4.38Å
363I90.6Very high89.6Confident62 Ų6241.4 Ų41.432%0.31821%0.209SC..Hα-helixtrans-60-46.3177.3-66.2166.5000110.5E359 M360 A361 Y365 N366 L367 P455E359-I363 WeakPolarHBondContact O-CG1 3.31Å; E359-I363 PolarHBondContact O-N 2.97Å; E359-I363 VanDerWaalsContact O-N 3.08Å; M360-I363 PolarHBondContact O-N 2.95Å; A361-I363 PolarHBondContact O-N 3.36Å; I363-Y365 PolarHBondContact O-N 3.37Å; I363-N366 PolarHBondContact O-N 2.65Å; I363-L367 HydrophobicContact CG2-CD1 3.96Å; I363-L367 HydrophobicContact CG2-CG 4.45Å; I363-L367 VanDerWaalsContact O-CG 3.3Å; I363-L367 WeakPolarHBondContact O-CG 3.48Å; I363-L367 PolarHBondContact O-N 3.44Å; I363-P455 HydrophobicContact CD1-CG 4.16Å; I363-P455 HydrophobicContact CG1-CG 4.14Å
364Q91.9Very high89.5Confident6 Ų645.9 Ų45.93%0.02824%0.238CC..Hα-helixtrans-66.2-37.1-179.2-69.3-43.1-78.400112.8L348 M360 A361 Q362 A368L348-Q364 HydrophobicContact CB-CG 4.11Å; M360-Q364 HydrophobicContact CE-CG 4.05Å; M360-Q364 WeakPolarHBondContact O-CG 3.18Å; M360-Q364 PolarHBondContact O-N 3.22Å; A361-Q364 PolarHBondContact O-N 3.16Å; Q362-Q364 PolarHBondContact O-N 3.27Å; Q364-A368 WeakPolarHBondContact O-CB 3.27Å; Q364-A368 PolarHBondContact O-N 2.74Å
365Y94.4Very high89.5Confident0 Ų047 Ų470%024%0.244CC..Hα-helixtrans-67.5-41.8174.9-69.5-52.9000112.6K346 D350 A361 Q362 I363 L367 A368 I369 A384 L388 V391K346-Y365 HydrophobicContact CD-CE1 4.46Å; K346-Y365 HydrophobicContact CG-CD1 4.32Å; K346-Y365 HydrophobicContact CG-CE1 4.25Å; D350-Y365 VanDerWaalsContact CA-OH 3.28Å; D350-Y365 WeakPolarHBondContact CA-OH 3.27Å; D350-Y365 PolarHBondContact N-OH 2.93Å; D350-Y365 WeakPolarHBondContact OD1-CE1 3.27Å; D350-Y365 PolarHBondContact OD1-OH 2.7Å; A361-Y365 HydrophobicContact CB-CE2 4.22Å; A361-Y365 WeakPolarHBondContact O-CD2 3.29Å; A361-Y365 PolarHBondContact O-N 2.8Å; Q362-Y365 PolarHBondContact O-N 3.39Å; I363-Y365 PolarHBondContact O-N 3.37Å; Y365-L367 PolarHBondContact O-N 3.43Å; Y365-A368 WeakPolarHBondContact O-CB 3.42Å; Y365-A368 PolarHBondContact O-N 2.88Å; Y365-A368 VanDerWaalsContact O-N 3.15Å; Y365-I369 WeakPolarHBondContact O-CG1 3.32Å; Y365-I369 PolarHBondContact O-N 3.19Å; Y365-A384 HydrophobicContact CD1-CB 4.24Å; Y365-L388 HydrophobicContact CD2-CD2 4.17Å; Y365-L388 HydrophobicContact CD2-CG 4.4Å; Y365-L388 HydrophobicContact CG-CD2 4.35Å; Y365-L388 HydrophobicContact CG-CG 4.33Å; Y365-V391 HydrophobicContact CD2-CG2 4.15Å; Y365-V391 HydrophobicContact CE2-CG2 3.92Å
366N93.3Very high89.7Confident65 Ų6551.7 Ų51.735%0.34827%0.269SS..Hα-helixtrans-60.6-46.9175.5-74.6-23.8000111.4Q362 I363 A368 I369 E370Q362-N366 PolarHBondContact O-N 3.04Å; Q362-N366 PolarHBondContact O-ND2 3.35Å; I363-N366 PolarHBondContact O-N 2.65Å; N366-A368 VanDerWaalsContact C-N 3.28Å; N366-A368 PolarHBondContact O-N 2.97Å; N366-I369 PolarHBondContact O-N 3.11Å; N366-I369 VanDerWaalsContact O-N 3.16Å; N366-E370 WeakPolarHBondContact O-CG 3.45Å; N366-E370 PolarHBondContact O-N 3.32Å
367L92.3Very high90Very high52 Ų5251.3 Ų51.327%0.27226%0.26SS..Hα-helixtrans-60.6-37.2174.2-69.2173.4000112.1K345 I363 Y365 E370 H371K345-L367 HydrophobicContact CD-CB 4.46Å; I363-L367 HydrophobicContact CG2-CD1 3.96Å; I363-L367 HydrophobicContact CG2-CG 4.45Å; I363-L367 VanDerWaalsContact O-CG 3.3Å; I363-L367 WeakPolarHBondContact O-CG 3.48Å; I363-L367 PolarHBondContact O-N 3.44Å; Y365-L367 PolarHBondContact O-N 3.43Å; L367-E370 PolarHBondContact O-N 3.11Å; L367-H371 PolarHBondContact O-CD2 2.84Å; L367-H371 PolarHBondContact O-N 3.25Å; L367-H371 VanDerWaalsContact O-N 3.15Å
368A93.2Very high90.2Very high0 Ų049.3 Ų49.30%025%0.251CS..Hα-helixtrans-62.2-46.117500000111.4G342 K345 K346 Q364 Y365 N366 H371 L372 A384G342-A368 WeakPolarHBondContact O-CB 3.35Å; K345-A368 HydrophobicContact CB-CB 3.85Å; K346-A368 HydrophobicContact CB-CB 3.92Å; Q364-A368 WeakPolarHBondContact O-CB 3.27Å; Q364-A368 PolarHBondContact O-N 2.74Å; Y365-A368 WeakPolarHBondContact O-CB 3.42Å; Y365-A368 PolarHBondContact O-N 2.88Å; Y365-A368 VanDerWaalsContact O-N 3.15Å; N366-A368 VanDerWaalsContact C-N 3.28Å; N366-A368 PolarHBondContact O-N 2.97Å; A368-H371 PolarHBondContact O-N 2.65Å; A368-L372 HydrophobicContact CB-CD1 4.43Å; A368-L372 VanDerWaalsContact O-CB 3.32Å; A368-L372 WeakPolarHBondContact O-CB 3.37Å; A368-L372 WeakPolarHBondContact O-CD1 3.41Å; A368-L372 WeakPolarHBondContact O-CG 3.42Å; A368-L372 PolarHBondContact O-N 2.84Å; A368-A384 HydrophobicContact CB-CB 4.39Å
369I93Very high90.2Very high28 Ų2849.2 Ų49.214%0.14425%0.25CC..Hα-helixtrans-62.4-44178.3-67.1167.1000110.7Y365 N366 H371 L372 K373 A384 L385 L388Y365-I369 WeakPolarHBondContact O-CG1 3.32Å; Y365-I369 PolarHBondContact O-N 3.19Å; N366-I369 PolarHBondContact O-N 3.11Å; N366-I369 VanDerWaalsContact O-N 3.16Å; I369-H371 VanDerWaalsContact C-N 3.3Å; I369-H371 PolarHBondContact O-N 3.3Å; I369-L372 PolarHBondContact O-N 2.83Å; I369-K373 WeakPolarHBondContact O-CB 3.31Å; I369-K373 PolarHBondContact O-N 2.78Å; I369-A384 HydrophobicContact CD1-CB 4.2Å; I369-A384 HydrophobicContact CG1-CB 3.71Å; I369-L385 HydrophobicContact CD1-CD2 3.81Å; I369-L385 HydrophobicContact CD1-CG 4.21Å; I369-L388 HydrophobicContact CD1-CD1 3.53Å
370E92Very high90.4Very high119 Ų11944.6 Ų44.656%0.55623%0.228SC*.Hα-helixtrans-58.5-39.3177.1-74179.2179.300113N366 L367 P374N366-E370 WeakPolarHBondContact O-CG 3.45Å; N366-E370 PolarHBondContact O-N 3.32Å; L367-E370 PolarHBondContact O-N 3.11Å; E370-P374 WeakPolarHBondContact O-CD 3.28Å; E370-P374 WeakPolarHBondContact O-CG 3.19Å
371H90.6Very high90.6Very high56 Ų5642.1 Ų42.126%0.25922%0.216SC..Hα-helixtrans-77.2-35177.8-75-59.6000113.5L367 A368 I369 I375L367-H371 PolarHBondContact O-CD2 2.84Å; L367-H371 PolarHBondContact O-N 3.25Å; L367-H371 VanDerWaalsContact O-N 3.15Å; A368-H371 PolarHBondContact O-N 2.65Å; I369-H371 VanDerWaalsContact C-N 3.3Å; I369-H371 PolarHBondContact O-N 3.3Å; H371-I375 WeakPolarHBondContact O-CD1 3.22Å
372L92Very high90.7Very high0 Ų042.1 Ų42.10%022%0.216CC..Hα-helixtrans-88.1-32.8-172.6-65.6169000113.5R343 A368 I369 I375 N376 D377 W380 I381R343-L372 HydrophobicContact CG-CD2 4.15Å; A368-L372 HydrophobicContact CB-CD1 4.43Å; A368-L372 VanDerWaalsContact O-CB 3.32Å; A368-L372 WeakPolarHBondContact O-CB 3.37Å; A368-L372 WeakPolarHBondContact O-CD1 3.41Å; A368-L372 WeakPolarHBondContact O-CG 3.42Å; A368-L372 PolarHBondContact O-N 2.84Å; I369-L372 PolarHBondContact O-N 2.83Å; L372-I375 PolarHBondContact O-N 3.21Å; L372-N376 PolarHBondContact O-N 2.98Å; L372-D377 HydrophobicContact CD2-CB 4.03Å; L372-D377 PolarHBondContact O-N 3.37Å; L372-W380 HydrophobicContact CD1-CB 3.58Å; L372-W380 HydrophobicContact CD2-CB 4.37Å; L372-I381 HydrophobicContact CB-CD1 4.39Å; L372-I381 HydrophobicContact CB-CG1 3.69Å
373K90.7Very high90.6Very high141 Ų14141.6 Ų41.661%0.61321%0.213SC*.G310 helixtrans-58-42.5-178.5-168.5170.2-174.2168.30113.3I369 I375 N376I369-K373 WeakPolarHBondContact O-CB 3.31Å; I369-K373 PolarHBondContact O-N 2.78Å; K373-I375 VanDerWaalsContact C-N 3.27Å; K373-I375 PolarHBondContact O-N 3.16Å; K373-N376 PolarHBondContact O-N 3.29Å
374P87.5Confident90.7Very high95 Ų9538.7 Ų38.762%0.61720%0.198SC*.G310 helixtrans-66.2-24.9175.2-21.934.2000114.5E370E370-P374 WeakPolarHBondContact O-CD 3.28Å; E370-P374 WeakPolarHBondContact O-CG 3.19Å
375I87.1Confident90.7Very high30 Ų3038.8 Ų38.815%0.15420%0.199CC..G310 helixtrans-88.7-13.7-180-52.5171000111I335 K338 R339 H371 L372 K373 D377I335-I375 HydrophobicContact CG2-CG2 3.92Å; K338-I375 HydrophobicContact CB-CD1 3.53Å; K338-I375 HydrophobicContact CB-CG1 4.43Å; R339-I375 HydrophobicContact CB-CD1 3.84Å; H371-I375 WeakPolarHBondContact O-CD1 3.22Å; L372-I375 PolarHBondContact O-N 3.21Å; K373-I375 VanDerWaalsContact C-N 3.27Å; K373-I375 PolarHBondContact O-N 3.16Å; I375-D377 VanDerWaalsContact C-N 3.31Å; I375-D377 PolarHBondContact O-N 3.12Å
376N87.1Confident90.6Very high115 Ų11538.9 Ų38.962%0.61520%0.199SC*.THydrogen-bonded Turntrans5642.1-173.6-163.332.6000112.9L372 K373 T378L372-N376 PolarHBondContact O-N 2.98Å; K373-N376 PolarHBondContact O-N 3.29Å; N376-T378 PolarHBondContact O-N 3.05Å; N376-T378 WeakPolarHBondContact OD1-CG2 3.11Å
377D87Confident90.5Very high20 Ų2035.8 Ų35.811%0.10718%0.183CC..  trans-79.173173.3-163.5-10.1000110R339 R343 L372 I375 L379 W380 I381R339-D377 WeakPolarHBondContact CG-OD2 3.48Å; R343-D377 IonicContact CZ-OD2 2.85Å; R343-D377 IonicContact NE-OD2 2.82Å; R343-D377 PolarHBondContact NE-OD2 2.86Å; R343-D377 IonicContact NH2-OD1 3.21Å; R343-D377 IonicContact NH2-OD2 2.68Å; R343-D377 PolarHBondContact NH2-OD2 2.99Å; L372-D377 HydrophobicContact CD2-CB 4.03Å; L372-D377 PolarHBondContact O-N 3.37Å; I375-D377 VanDerWaalsContact C-N 3.31Å; I375-D377 PolarHBondContact O-N 3.12Å; D377-L379 VanDerWaalsContact C-N 3.28Å; D377-L379 PolarHBondContact O-N 3.13Å; D377-W380 PolarHBondContact O-N 3.32Å; D377-W380 VanDerWaalsContact O-N 3.07Å; D377-I381 WeakPolarHBondContact O-CG1 3.19Å; D377-I381 PolarHBondContact O-N 3.34Å
378T88.6Confident90.4Very high31 Ų3133.5 Ų33.519%0.1917%0.171CC..Hα-helixtrans-51.4-41.9-16853.40000113.7N376 W380 I381 A382N376-T378 PolarHBondContact O-N 3.05Å; N376-T378 WeakPolarHBondContact OD1-CG2 3.11Å; T378-W380 PolarHBondContact O-N 3.35Å; T378-I381 PolarHBondContact O-N 3.38Å; T378-A382 WeakPolarHBondContact O-CB 3.35Å; T378-A382 PolarHBondContact O-N 2.76Å
379L87.9Confident90.3Very high26 Ų2633.5 Ų33.514%0.13617%0.171CC..Hα-helixtrans-60.6-45.6179.6176.363.3000112.3F106 L296 D377 A382 G383 Y474 A477 L479F106-L379 HydrophobicContact CD2-CG 4.49Å; F106-L379 HydrophobicContact CE1-CD1 4.24Å; F106-L379 HydrophobicContact CE2-CD1 4.07Å; F106-L379 HydrophobicContact CE2-CG 3.81Å; F106-L379 WeakPolarHBondContact CE2-O 3.46Å; F106-L379 HydrophobicContact CZ-CD1 3.71Å; F106-L379 HydrophobicContact CZ-CG 3.99Å; F106-L379 WeakPolarHBondContact CZ-O 3.42Å; L296-L379 HydrophobicContact CD2-CD2 3.99Å; D377-L379 VanDerWaalsContact C-N 3.28Å; D377-L379 PolarHBondContact O-N 3.13Å; L379-A382 PolarHBondContact O-N 3.11Å; L379-G383 PolarHBondContact O-N 3.38Å; L379-Y474 HydrophobicContact CD1-CD1 4.22Å; L379-Y474 HydrophobicContact CD1-CE1 3.9Å; L379-A477 HydrophobicContact CB-CB 4.37Å; L379-L479 HydrophobicContact CD1-CD1 3.22Å
380W90.7Very high90.2Very high16 Ų1632.1 Ų32.16%0.06116%0.164CC..Hα-helixtrans-80.4-27.4-176.7-73.183.9000112.9F106 R343 K346 L372 D377 T378 G383 A384F106-W380 HydrophobicContact CD2-CD2 4.02Å; F106-W380 HydrophobicContact CD2-CE3 4.18Å; F106-W380 HydrophobicContact CD2-CH2 4.39Å; F106-W380 HydrophobicContact CD2-CZ2 4.23Å; F106-W380 HydrophobicContact CD2-CZ3 4.36Å; F106-W380 HydrophobicContact CE2-CD2 4.19Å; F106-W380 HydrophobicContact CE2-CE3 4.47Å; F106-W380 HydrophobicContact CE2-CG 4.37Å; R343-W380 HydrophobicContact CB-CD2 3.98Å; R343-W380 HydrophobicContact CB-CE3 3.74Å; R343-W380 HydrophobicContact CB-CH2 3.99Å; R343-W380 HydrophobicContact CB-CZ2 4.21Å; R343-W380 HydrophobicContact CB-CZ3 3.74Å; R343-W380 VanDerWaalsContact CD-CE2 3.5Å; R343-W380 HydrophobicContact CG-CB 4.38Å; R343-W380 HydrophobicContact CG-CD2 3.44Å; R343-W380 VanDerWaalsContact CG-CD2 3.44Å; R343-W380 HydrophobicContact CG-CE3 3.73Å; R343-W380 HydrophobicContact CG-CG 3.74Å; R343-W380 HydrophobicContact CG-CH2 4.33Å; R343-W380 HydrophobicContact CG-CZ2 4.08Å; R343-W380 HydrophobicContact CG-CZ3 4.16Å; R343-W380 WeakPolarHBondContact O-CZ3 3.3Å; K346-W380 HydrophobicContact CB-CE3 4.15Å; K346-W380 HydrophobicContact CB-CZ3 4.43Å; K346-W380 HydrophobicContact CD-CE3 4.19Å; K346-W380 HydrophobicContact CD-CZ3 4.23Å; K346-W380 HydrophobicContact CG-CE3 4.27Å; L372-W380 HydrophobicContact CD1-CB 3.58Å; L372-W380 HydrophobicContact CD2-CB 4.37Å; D377-W380 PolarHBondContact O-N 3.32Å; D377-W380 VanDerWaalsContact O-N 3.07Å; T378-W380 PolarHBondContact O-N 3.35Å; W380-G383 PolarHBondContact O-N 3.16Å; W380-A384 WeakPolarHBondContact O-CB 3.49Å; W380-A384 PolarHBondContact O-N 3.14Å
381I90.7Very high90.1Very high12 Ų1226.5 Ų26.56%0.06214%0.138CC..Hα-helixtrans-63.7-47.7168.3-61.1163.4000109.4L372 D377 T378 G383 A384 L385 L473L372-I381 HydrophobicContact CB-CD1 4.39Å; L372-I381 HydrophobicContact CB-CG1 3.69Å; D377-I381 WeakPolarHBondContact O-CG1 3.19Å; D377-I381 PolarHBondContact O-N 3.34Å; T378-I381 PolarHBondContact O-N 3.38Å; I381-G383 VanDerWaalsContact C-N 3.32Å; I381-G383 PolarHBondContact O-N 2.73Å; I381-A384 PolarHBondContact O-N 2.79Å; I381-A384 VanDerWaalsContact O-N 3.12Å; I381-L385 HydrophobicContact CG2-CD1 4.29Å; I381-L385 PolarHBondContact O-N 2.81Å; I381-L473 HydrophobicContact CB-CD1 4.47Å; I381-L473 HydrophobicContact CG2-CD1 3.82Å
382A91.4Very high90Very high0 Ų023.8 Ų23.80%013%0.125CC..Hα-helixtrans-57.4-44.6175.100000111.7T378 L379 A384 L385 E386 T470 L473 Y474T378-A382 WeakPolarHBondContact O-CB 3.35Å; T378-A382 PolarHBondContact O-N 2.76Å; L379-A382 PolarHBondContact O-N 3.11Å; A382-A384 VanDerWaalsContact C-N 3.33Å; A382-A384 PolarHBondContact O-N 3.27Å; A382-L385 PolarHBondContact O-N 3.06Å; A382-E386 WeakPolarHBondContact O-CB 3.37Å; A382-E386 PolarHBondContact O-N 3.32Å; A382-T470 HydrophobicContact CB-CG2 3.98Å; A382-T470 WeakPolarHBondContact O-CG2 3.34Å; A382-L473 HydrophobicContact CB-CB 3.85Å; A382-Y474 HydrophobicContact CB-CD1 3.72Å; A382-Y474 HydrophobicContact CB-CD2 4.22Å; A382-Y474 HydrophobicContact CB-CE1 3.62Å; A382-Y474 HydrophobicContact CB-CE2 4.14Å; A382-Y474 HydrophobicContact CB-CG 4.02Å
383G90.4Very high89.6Confident0 Ų025.3 Ų25.30%013%0.133CC..Hα-helixtrans-64-32.6176.200000114.2K346 L379 W380 I381 G387K346-G383 WeakPolarHBondContact CE-O 3.5Å; L379-G383 PolarHBondContact O-N 3.38Å; W380-G383 PolarHBondContact O-N 3.16Å; I381-G383 VanDerWaalsContact C-N 3.32Å; I381-G383 PolarHBondContact O-N 2.73Å; G383-G387 PolarHBondContact O-N 3.48Å; G383-G387 VanDerWaalsContact O-N 3.16Å
384A92.8Very high89.2Confident0 Ų018.7 Ų18.70%010%0.104CC..Hα-helixtrans-74.3-39.517600000112.1K346 Y365 A368 I369 W380 I381 A382 G387 L388K346-A384 HydrophobicContact CG-CB 4Å; Y365-A384 HydrophobicContact CD1-CB 4.24Å; A368-A384 HydrophobicContact CB-CB 4.39Å; I369-A384 HydrophobicContact CD1-CB 4.2Å; I369-A384 HydrophobicContact CG1-CB 3.71Å; W380-A384 WeakPolarHBondContact O-CB 3.49Å; W380-A384 PolarHBondContact O-N 3.14Å; I381-A384 PolarHBondContact O-N 2.79Å; I381-A384 VanDerWaalsContact O-N 3.12Å; A382-A384 VanDerWaalsContact C-N 3.33Å; A382-A384 PolarHBondContact O-N 3.27Å; A384-G387 PolarHBondContact O-N 3.31Å; A384-L388 PolarHBondContact O-N 3.42Å
385L92.6Very high88.9Confident9 Ų915.4 Ų15.45%0.0478%0.081CC..Hα-helixtrans-65.6-40.4172.9-70.6171.9000111.9I369 I381 A382 G387 L388 C389 Y466 E469 T470 L473I369-L385 HydrophobicContact CD1-CD2 3.81Å; I369-L385 HydrophobicContact CD1-CG 4.21Å; I381-L385 HydrophobicContact CG2-CD1 4.29Å; I381-L385 PolarHBondContact O-N 2.81Å; A382-L385 PolarHBondContact O-N 3.06Å; L385-G387 PolarHBondContact O-N 3.26Å; L385-L388 HydrophobicContact CD2-CD1 4.32Å; L385-L388 PolarHBondContact O-N 2.97Å; L385-L388 VanDerWaalsContact O-N 3.14Å; L385-C389 PolarHBondContact O-N 3.49Å; L385-C389 PolarHBondContact O-SG 3.28Å; L385-C389 VanDerWaalsContact O-SG 3.4Å; L385-Y466 HydrophobicContact CD2-CD1 3.95Å; L385-Y466 HydrophobicContact CD2-CG 4.13Å; L385-E469 HydrophobicContact CD1-CG 4.11Å; L385-T470 WeakPolarHBondContact CB-OG1 3.3Å; L385-L473 HydrophobicContact CD1-CD1 3.63Å
386E91.1Very high88.3Confident1 Ų116 Ų161%0.0058%0.083CC..Hα-helixtrans-56.7-41.6171.1179.1177.6-176.600111.2F10 H13 Q107 A382 C389 A390 T470 Y474 F487 K490F10-E386 HydrophobicContact CE1-CG 3.93Å; H13-E386 IonicContact CE1-OE1 3.27Å; H13-E386 PolarHBondContact CE1-OE1 3.04Å; H13-E386 IonicContact NE2-OE1 3.94Å; H13-E386 PolarHBondContact NE2-OE1 2.93Å; H13-E386 VanDerWaalsContact NE2-OE1 3.13Å; Q107-E386 PolarHBondContact NE2-OE1 3.07Å; Q107-E386 PolarHBondContact NE2-OE2 3.19Å; A382-E386 WeakPolarHBondContact O-CB 3.37Å; A382-E386 PolarHBondContact O-N 3.32Å; E386-C389 PolarHBondContact O-N 3.23Å; E386-A390 PolarHBondContact O-N 3.39Å; E386-T470 HydrophobicContact CB-CG2 4.42Å; E386-Y474 PolarHBondContact OE2-OH 2.77Å; E386-F487 HydrophobicContact CB-CE2 4.02Å; E386-F487 HydrophobicContact CG-CD2 4.04Å; E386-F487 HydrophobicContact CG-CE2 3.79Å; E386-K490 IonicContact OE1-NZ 3.76Å; E386-K490 PolarHBondContact OE1-NZ 3.07Å
387G91.1Very high87.3Confident1 Ų113 Ų131%0.017%0.07CC..Hα-helixtrans-63.9-41174.300000113.4G383 A384 L385 A390 V391G383-G387 PolarHBondContact O-N 3.48Å; G383-G387 VanDerWaalsContact O-N 3.16Å; A384-G387 PolarHBondContact O-N 3.31Å; L385-G387 PolarHBondContact O-N 3.26Å; G387-A390 WeakPolarHBondContact O-CB 3.33Å; G387-A390 PolarHBondContact O-N 2.92Å; G387-V391 WeakPolarHBondContact O-CG2 3.45Å; G387-V391 PolarHBondContact O-N 3.47Å
388L91.6Very high85.8Confident3 Ų314.7 Ų14.72%0.0168%0.084CC..Hα-helixtrans-64.5-40.5174-73.6174.2000112.4Q362 Y365 I369 A384 L385 A390 V391 A392 I458Q362-L388 HydrophobicContact CG-CD2 3.97Å; Y365-L388 HydrophobicContact CD2-CD2 4.17Å; Y365-L388 HydrophobicContact CD2-CG 4.4Å; Y365-L388 HydrophobicContact CG-CD2 4.35Å; Y365-L388 HydrophobicContact CG-CG 4.33Å; I369-L388 HydrophobicContact CD1-CD1 3.53Å; A384-L388 PolarHBondContact O-N 3.42Å; L385-L388 HydrophobicContact CD2-CD1 4.32Å; L385-L388 PolarHBondContact O-N 2.97Å; L385-L388 VanDerWaalsContact O-N 3.14Å; L388-A390 VanDerWaalsContact C-N 3.26Å; L388-A390 PolarHBondContact O-N 2.88Å; L388-V391 PolarHBondContact O-N 3.13Å; L388-A392 WeakPolarHBondContact O-CB 3.32Å; L388-A392 PolarHBondContact O-N 3.33Å; L388-I458 HydrophobicContact CB-CD1 4.35Å; L388-I458 HydrophobicContact CD2-CD1 4.08Å
389C91.1Very high83.4Confident0 Ų017.6 Ų17.60%010%0.099CC..Hα-helixtrans-59.8-39.2172-680000111.3F10 L385 E386 A392 M393 C463F10-C389 HydrophobicContact CD1-CB 3.8Å; F10-C389 HydrophobicContact CE1-CB 3.47Å; F10-C389 VanDerWaalsContact CE1-CB 3.47Å; F10-C389 HydrophobicContact CZ-CB 3.93Å; L385-C389 PolarHBondContact O-N 3.49Å; L385-C389 PolarHBondContact O-SG 3.28Å; L385-C389 VanDerWaalsContact O-SG 3.4Å; E386-C389 PolarHBondContact O-N 3.23Å; C389-A392 PolarHBondContact O-N 3.36Å; C389-M393 WeakPolarHBondContact O-CB 3.5Å; C389-M393 WeakPolarHBondContact O-CG 3.28Å; C389-M393 PolarHBondContact O-N 3.44Å; C389-C463 PolarHBondContact SG-O 3.27Å; C389-C463 VanDerWaalsContact SG-O 3.41Å
390A90.3Very high80.9Confident0 Ų023.7 Ų23.70%013%0.126CC..Hα-helixtrans-65.8-42175.200000113F10 H13 L353 E386 G387 L388 M393 C394F10-A390 HydrophobicContact CB-CB 4.39Å; F10-A390 HydrophobicContact CD1-CB 4.28Å; F10-A390 WeakPolarHBondContact O-CB 3.3Å; H13-A390 HydrophobicContact CB-CB 3.78Å; L353-A390 HydrophobicContact CD2-CB 3.78Å; E386-A390 PolarHBondContact O-N 3.39Å; G387-A390 WeakPolarHBondContact O-CB 3.33Å; G387-A390 PolarHBondContact O-N 2.92Å; L388-A390 VanDerWaalsContact C-N 3.26Å; L388-A390 PolarHBondContact O-N 2.88Å; A390-M393 PolarHBondContact O-N 3.05Å; A390-C394 WeakPolarHBondContact O-CB 3.38Å; A390-C394 PolarHBondContact O-N 3.39Å; A390-C394 PolarHBondContact O-SG 3.31Å
391V89.4Confident78.1Confident0 Ų026.7 Ų26.70%015%0.149CC..Hα-helixtrans-60.3-48.3173.4172.40000110.7L353 L358 A361 Q362 Y365 G387 L388 M393 C394 Q395L353-V391 HydrophobicContact CD1-CG2 3.99Å; L358-V391 HydrophobicContact CB-CG1 4.35Å; A361-V391 HydrophobicContact CB-CG2 3.9Å; Q362-V391 HydrophobicContact CB-CG1 4.25Å; Y365-V391 HydrophobicContact CD2-CG2 4.15Å; Y365-V391 HydrophobicContact CE2-CG2 3.92Å; G387-V391 WeakPolarHBondContact O-CG2 3.45Å; G387-V391 PolarHBondContact O-N 3.47Å; L388-V391 PolarHBondContact O-N 3.13Å; V391-M393 PolarHBondContact O-N 2.95Å; V391-C394 WeakPolarHBondContact O-CB 3.2Å; V391-C394 PolarHBondContact O-N 2.94Å; V391-C394 VanDerWaalsContact O-N 3.11Å; V391-Q395 HydrophobicContact CG1-CG 4.4Å; V391-Q395 WeakPolarHBondContact O-CG 2.98Å; V391-Q395 PolarHBondContact O-N 3.1Å
392A88.1Confident75.1Confident0 Ų029.8 Ų29.80%017%0.172CC..Hα-helixtrans-58.5-47.3178.700000111.4L388 C389 C394 Q395 H396 I458 C463L388-A392 WeakPolarHBondContact O-CB 3.32Å; L388-A392 PolarHBondContact O-N 3.33Å; C389-A392 PolarHBondContact O-N 3.36Å; A392-C394 VanDerWaalsContact C-N 3.28Å; A392-C394 PolarHBondContact O-N 3.04Å; A392-Q395 WeakPolarHBondContact O-CB 3.33Å; A392-Q395 PolarHBondContact O-N 3.4Å; A392-Q395 VanDerWaalsContact O-N 3.09Å; A392-H396 PolarHBondContact O-CD2 3.42Å; A392-H396 PolarHBondContact O-N 3.38Å; A392-I458 HydrophobicContact CB-CB 3.86Å; A392-I458 HydrophobicContact CB-CD1 4.21Å; A392-I458 HydrophobicContact CB-CG2 3.89Å; A392-C463 HydrophobicContact CB-CB 3.93Å
393M84.1Confident72.1Confident31 Ų3136.8 Ų36.815%0.15321%0.209CC..Hα-helixtrans-61.1-35.8175.9-75.4-60.6-73.200113.1F10 I11 C389 A390 V391 S397 L494F10-M393 HydrophobicContact CB-CB 4.22Å; F10-M393 HydrophobicContact CB-CG 4Å; I11-M393 HydrophobicContact CG1-CB 4.36Å; C389-M393 WeakPolarHBondContact O-CB 3.5Å; C389-M393 WeakPolarHBondContact O-CG 3.28Å; C389-M393 PolarHBondContact O-N 3.44Å; A390-M393 PolarHBondContact O-N 3.05Å; V391-M393 PolarHBondContact O-N 2.95Å; M393-S397 WeakPolarHBondContact O-CB 3.05Å; M393-S397 PolarHBondContact O-N 2.98Å; M393-S397 PolarHBondContact O-OG 3.25Å; M393-L494 HydrophobicContact CE-CD1 4.14Å; M393-L494 HydrophobicContact CG-CD1 3.85Å; M393-L494 HydrophobicContact SD-CD1 3.2Å; M393-L494 WeakPolarHBondContact SD-CD1 3.36Å
394C82.4Confident69.2Low3 Ų342.9 Ų42.92%0.0224%0.242CC..Hα-helixtrans-70.1-33.1174.8-68.30000112.6K14 L358 A390 V391 A392 S397 S398K14-C394 HydrophobicContact CD-CB 4.4Å; L358-C394 HydrophobicContact CD1-CB 3.95Å; L358-C394 HydrophobicContact CD2-CB 3.8Å; A390-C394 WeakPolarHBondContact O-CB 3.38Å; A390-C394 PolarHBondContact O-N 3.39Å; A390-C394 PolarHBondContact O-SG 3.31Å; V391-C394 WeakPolarHBondContact O-CB 3.2Å; V391-C394 PolarHBondContact O-N 2.94Å; V391-C394 VanDerWaalsContact O-N 3.11Å; A392-C394 VanDerWaalsContact C-N 3.28Å; A392-C394 PolarHBondContact O-N 3.04Å; C394-S397 WeakPolarHBondContact CA-OG 3.2Å; C394-S397 PolarHBondContact O-OG 3.17Å; C394-S398 PolarHBondContact O-N 3.3Å
395Q81.3Confident66Low25 Ų2544.6 Ų44.612%0.11726%0.259CS..Hα-helixtrans-68.3-52.8174.6-71.3171-20.800110.5L358 V391 A392 S397 S398 D399L358-Q395 HydrophobicContact CD1-CG 4.06Å; V391-Q395 HydrophobicContact CG1-CG 4.4Å; V391-Q395 WeakPolarHBondContact O-CG 2.98Å; V391-Q395 PolarHBondContact O-N 3.1Å; A392-Q395 WeakPolarHBondContact O-CB 3.33Å; A392-Q395 PolarHBondContact O-N 3.4Å; A392-Q395 VanDerWaalsContact O-N 3.09Å; Q395-S397 PolarHBondContact O-N 3.16Å; Q395-S398 PolarHBondContact O-N 3.03Å; Q395-S398 VanDerWaalsContact O-N 3.12Å; Q395-S398 PolarHBondContact O-OG 2.96Å; Q395-D399 PolarHBondContact O-N 2.92Å
396H74.8Confident62.8Low43 Ų4349.8 Ų49.820%0.19929%0.291CS..Hα-helixtrans-65.1-36.1-178.2-68.3-59.4000113.6A392 S398 D399 H400 I458A392-H396 PolarHBondContact O-CD2 3.42Å; A392-H396 PolarHBondContact O-N 3.38Å; H396-S398 VanDerWaalsContact C-N 3.28Å; H396-S398 PolarHBondContact O-N 3.4Å; H396-D399 PolarHBondContact O-N 2.86Å; H396-H400 PolarHBondContact O-CD2 3.18Å; H396-I458 PolarHBondContact CE1-O 3.07Å; H396-I458 PolarHBondContact NE2-O 3.27Å
397S66.8Low59.7Low51 Ų5155 Ų5536%0.35732%0.323SS..Hα-helixtrans-66.9-28.4175.453.70000113.3M393 C394 Q395M393-S397 WeakPolarHBondContact O-CB 3.05Å; M393-S397 PolarHBondContact O-N 2.98Å; M393-S397 PolarHBondContact O-OG 3.25Å; C394-S397 WeakPolarHBondContact CA-OG 3.2Å; C394-S397 PolarHBondContact O-OG 3.17Å; Q395-S397 PolarHBondContact O-N 3.16Å
398S53.8Low56.4Low57 Ų5765.7 Ų65.740%0.39936%0.363SS..Hα-helixtrans-71-33.3176.675.50000112.4C394 Q395 H396 H400 S401 S402C394-S398 PolarHBondContact O-N 3.3Å; Q395-S398 PolarHBondContact O-N 3.03Å; Q395-S398 VanDerWaalsContact O-N 3.12Å; Q395-S398 PolarHBondContact O-OG 2.96Å; H396-S398 VanDerWaalsContact C-N 3.28Å; H396-S398 PolarHBondContact O-N 3.4Å; S398-H400 VanDerWaalsContact C-N 3.33Å; S398-H400 PolarHBondContact O-N 3.05Å; S398-S401 PolarHBondContact O-N 3.38Å; S398-S401 VanDerWaalsContact O-N 3.11Å; S398-S401 PolarHBondContact O-OG 2.63Å; S398-S402 PolarHBondContact O-N 2.84Å
399D39.5Very low53.2Low92 Ų9269.5 Ų69.549%0.49239%0.39SS..Hα-helixtrans-65.5-36.7177.2-70.6-27.4000111.6Q395 H396 S401 S402Q395-D399 PolarHBondContact O-N 2.92Å; H396-D399 PolarHBondContact O-N 2.86Å; D399-S401 VanDerWaalsContact C-N 3.27Å; D399-S401 PolarHBondContact O-N 3.28Å; D399-S402 PolarHBondContact O-N 3.25Å; D399-S402 PolarHBondContact O-OG 2.64Å
400H35Very low50Low154 Ų15477.8 Ų77.871%0.71343%0.426SS*.Hα-helixtrans-64.3-30173.8-71.2-53.3000113.5H396 S398 S402H396-H400 PolarHBondContact O-CD2 3.18Å; S398-H400 VanDerWaalsContact C-N 3.33Å; S398-H400 PolarHBondContact O-N 3.05Å; H400-S402 VanDerWaalsContact C-N 3.31Å
401S31Very low46.9Very low78 Ų7884.4 Ų84.455%0.54546%0.455SS..Hα-helixtrans-75-19.8177740000113.6S398 D399 N403 L404S398-S401 PolarHBondContact O-N 3.38Å; S398-S401 VanDerWaalsContact O-N 3.11Å; S398-S401 PolarHBondContact O-OG 2.63Å; D399-S401 VanDerWaalsContact C-N 3.27Å; D399-S401 PolarHBondContact O-N 3.28Å; S401-N403 PolarHBondContact O-N 3.09Å; S401-L404 WeakPolarHBondContact O-CB 3.2Å; S401-L404 PolarHBondContact O-N 3.36Å; S401-L404 VanDerWaalsContact O-N 3.09Å
402S28.1Very low44Very low77 Ų7791.9 Ų91.954%0.53849%0.494SS..THydrogen-bonded Turntrans-73.1-9.8-178.573.70000114.6S398 D399 H400 L404S398-S402 PolarHBondContact O-N 2.84Å; D399-S402 PolarHBondContact O-N 3.25Å; D399-S402 PolarHBondContact O-OG 2.64Å; H400-S402 VanDerWaalsContact C-N 3.31Å; S402-L404 VanDerWaalsContact C-N 3.27Å
403N28.4Very low40.9Very low147 Ų147100 Ų10079%0.78653%0.532SS*.THydrogen-bonded Turntrans-78.6-8.9168.9-77.4-14.1000113.2S401S401-N403 PolarHBondContact O-N 3.09Å
404L30.1Very low38.1Very low129 Ų129107.9 Ų107.968%0.67557%0.569SS**SBendtrans-83.8112.7160.3-128.372.5000106.1S401 S402 T406S401-L404 WeakPolarHBondContact O-CB 3.2Å; S401-L404 PolarHBondContact O-N 3.36Å; S401-L404 VanDerWaalsContact O-N 3.09Å; S402-L404 VanDerWaalsContact C-N 3.27Å; L404-T406 PolarHBondContact O-N 2.99Å
405G24.8Very low35.2Very low35 Ų35117.6 Ų117.636%0.36161%0.605SS.*  trans-59.546.9-170.600000117.5T407G405-T407 PolarHBondContact O-N 3.33Å
406T26.8Very low32.5Very low118 Ų118124.8 Ų124.872%0.72463%0.632SS**  trans-87.396.5162.8-43.40000106L404 R408L404-T406 PolarHBondContact O-N 2.99Å; T406-R408 PolarHBondContact O-N 2.9Å
407T24.5Very low30.2Very low112 Ų112130.6 Ų130.669%0.68766%0.664SS**  trans-15.5114.5169.147.80000112.9G405 S409G405-T407 PolarHBondContact O-N 3.33Å; T407-S409 VanDerWaalsContact C-N 3.28Å; T407-S409 PolarHBondContact O-N 3.24Å
408R22.5Very low28.3Very low225 Ų225135.8 Ų135.885%0.84969%0.688SS**  trans-45.297.5163-171.1179.4176.7-172.91.8107.9T406 K410T406-R408 PolarHBondContact O-N 2.9Å; R408-K410 PolarHBondContact O-N 2.91Å
409S24.1Very low27Very low82 Ų82138.8 Ų138.857%0.57370%0.699SS**  trans-63.3102178.5-176.20000106.2T407 F411T407-S409 VanDerWaalsContact C-N 3.28Å; T407-S409 PolarHBondContact O-N 3.24Å; S409-F411 PolarHBondContact O-N 3.33Å; S409-F411 VanDerWaalsContact OG-CB 3.3Å; S409-F411 WeakPolarHBondContact OG-CB 3.31Å; S409-F411 WeakPolarHBondContact OG-CD2 3.38Å
410K25.4Very low26.3Very low175 Ų175141.6 Ų141.676%0.76171%0.714SS**  trans-68.741.4170.1-73.6-175175.2178.70110.9R408R408-K410 PolarHBondContact O-N 2.91Å
411F24.8Very low25.9Very low138 Ų138141.9 Ų141.961%0.60572%0.72SS**THydrogen-bonded Turntrans-98.445.5179.9-91.9-93.6000112S409S409-F411 PolarHBondContact O-N 3.33Å; S409-F411 VanDerWaalsContact OG-CB 3.3Å; S409-F411 WeakPolarHBondContact OG-CB 3.31Å; S409-F411 WeakPolarHBondContact OG-CD2 3.38Å
412L28Very low25.7Very low158 Ų158144 Ų14483%0.82773%0.73SS**THydrogen-bonded Turntrans-14222.3155.3-78.5-176.9000112.3Q414L412-Q414 PolarHBondContact O-N 3.25Å
413Q23.2Very low25.5Very low171 Ų171148.7 Ų148.780%0.79975%0.749SS**SBendtrans-92.984.7154.5-88.8-178.1-20.500108.2R415Q413-R415 PolarHBondContact O-N 3.11Å; Q413-R415 VanDerWaalsContact O-N 3.1Å
414Q23.9Very low25.4Very low195 Ų195145.2 Ų145.291%0.91175%0.748SS**  trans8.290.1146.8-148.8148.5-1300114.2L412 Y416L412-Q414 PolarHBondContact O-N 3.25Å; Q414-Y416 PolarHBondContact O-N 3.49Å
415R21.5Very low25.1Very low207 Ų207147.4 Ų147.478%0.78176%0.755SS**  trans-77.6116.5170.3-85.7-170.7-177.3170.21.2109.4Q413Q413-R415 PolarHBondContact O-N 3.11Å; Q413-R415 VanDerWaalsContact O-N 3.1Å
416Y24.8Very low25.2Very low176 Ų176154.2 Ų154.269%0.6978%0.782SS**  trans64.276.4144.9-73.6-93.8000118.3Q414 D419Q414-Y416 PolarHBondContact O-N 3.49Å; Y416-D419 WeakPolarHBondContact CE1-OD2 3.4Å
417L28.2Very low24.9Very low166 Ų166159 Ų15987%0.86979%0.787SS**SBendtrans-136.885.9134.8-89.5172.4000105.2
418D26.2Very low25Very low159 Ų159163.1 Ų163.185%0.8580%0.795SS**  trans174.750.2159.8-84.6-18.8000109.7
419D25.3Very low25.1Very low121 Ų121157.6 Ų157.665%0.64779%0.791SS**  trans-92.198.3154.7-94-13.3000105.8Y416Y416-D419 WeakPolarHBondContact CE1-OD2 3.4Å
420N25.7Very low25Very low150 Ų150162.4 Ų162.480%0.80281%0.805SS**  trans135.287.2165.3-68.8-30.8000109.8
421L27Very low25Very low161 Ų161162.9 Ų162.984%0.84381%0.807SS**  trans-177.589.2139.9-93.1159.5000110.4
422T27.2Very low25Very low122 Ų122164.5 Ų164.575%0.74882%0.816SS**  trans55111.8137.457.70000121
423D22.9Very low24.6Very low175 Ų175166.3 Ų166.394%0.93682%0.821SS**  trans1.7124.8141.1-72.1-36.7000118.2
424G26.7Very low24.7Very low75 Ų75163.6 Ų163.677%0.77382%0.821SS**  trans-174.194.216700000112L426G424-L426 PolarHBondContact O-N 3.24Å
425E22.5Very low24.7Very low174 Ų174161.7 Ų161.781%0.81382%0.817SS**  trans-55121.2173.7-60.9179.6126.500112.6
426L27.1Very low24.8Very low178 Ų178159.9 Ų159.993%0.93282%0.819SS**  trans-136.5102.8154.1-84174.5000110.5G424G424-L426 PolarHBondContact O-N 3.24Å
427R21.7Very low24.7Very low219 Ų219157.6 Ų157.683%0.82682%0.818SS**  trans-77.7134.3174.3-72.3-179.5169.8-178.5-0.3111.4
428K25.2Very low24.4Very low198 Ų198156.6 Ų156.686%0.86181%0.809SS**  trans41123.8134.2-65.1-179.3175.2-179.80121
429S24.6Very low24.4Very low110 Ų110156.1 Ų156.177%0.76980%0.802SS**  174.1109.6122.152.10000109.5
430Q23.2Very low24.2Very low182 Ų182154.9 Ų154.985%0.8580%0.803SS**  46.2118.894.8-97.9-177.9-21.200115.5
431F25.1Very low24.1Very low186 Ų186153.8 Ų153.882%0.81680%0.801SS**  trans166.199.5138.9-93.9-72.3000107.7
432Q24Very low24Very low171 Ų171151.1 Ų151.180%0.79980%0.796SS**  86.2106.585.9-154.1170.325.700112.5
433E21.1Very low23.9Very low196 Ų196150.8 Ų150.892%0.91680%0.799SS**  trans-61139.6173.1-72.3161.4138.300111.8
434S24.9Very low24.1Very low115 Ų115147.8 Ų147.880%0.80479%0.791SS**  trans-145.7127160.4580000109.6
435D23.1Very low24.1Very low155 Ų155152.6 Ų152.683%0.82980%0.798SS**  trans-41.2144173.9-62.2-56.4000115.1
436M23.9Very low24.3Very low169 Ų169150.7 Ų150.783%0.83379%0.794SS**  174.5142.3113.7-83.7-114.564.900112.4
437L23.1Very low24.6Very low128 Ų128150 Ų15067%0.6779%0.791SS**  trans-60.3156-178-91.981000116.4
438E22.2Very low25.1Very low145 Ų145143.9 Ų143.968%0.67879%0.786SS**  trans84.3127.7133.5-84175.7173.200122.6
439H24.8Very low25.4Very low149 Ų149139.7 Ų139.769%0.6978%0.782SS**  trans91.396148.9-59.1-40.5000120.3
440S22.5Very low25.7Very low95 Ų95138 Ų13866%0.66477%0.77SS**  81.7120.8115.6-48.20000120
441T23.9Very low26.1Very low127 Ų127137.6 Ų137.678%0.77977%0.766SS**  trans87.5106.1142.564.60000120.6
442S23.7Very low26.4Very low105 Ų105137.8 Ų137.873%0.73477%0.767SS**  79.6123.1124.866.50000120.4
443S26.5Very low27.2Very low115 Ų115139.2 Ų139.280%0.80477%0.766SS**  trans91.2119.1151.676.50000117.3
444S26.8Very low28.2Very low111 Ų111137.2 Ų137.278%0.77676%0.756SS**  trans74.385.7159.8-167.10000116.6
445L26.6Very low29.6Very low176 Ų176133.7 Ų133.792%0.92173%0.731SS**  trans-139.2128.8146.8-136.878.6000111.7
446D26.3Very low31.4Very low135 Ų135133.5 Ų133.572%0.72273%0.729SS**  trans-32.2129.6-173.6-93.2-48000118.6A448D446-A448 PolarHBondContact O-N 3.36Å
447L33.5Very low33.7Very low164 Ų164130.1 Ų130.186%0.85972%0.718SS**THydrogen-bonded Turntrans-68.714.8173.1-115.890.4000114.9
448A32.7Very low36.4Very low89 Ų89124.6 Ų124.674%0.73669%0.688SS**THydrogen-bonded Turntrans-94.8-11.2-173.600000114.8D446D446-A448 PolarHBondContact O-N 3.36Å
449S31.2Very low39.1Very low110 Ų110119.5 Ų119.577%0.76967%0.669SS**SBendtrans-97.21.9178.945.70000114.6K451S449-K451 VanDerWaalsContact C-N 3.25Å; S449-K451 PolarHBondContact O-N 3.24Å
450S29.8Very low41.7Very low75 Ų75113.9 Ų113.952%0.52465%0.647SS.*  trans-81.365.7173.973.80000112
451K32Very low44.5Very low174 Ų174113.2 Ų113.276%0.75764%0.639SS**SBendtrans-132.1124.8161.5-73.9-173.3178.7178.40107.9S449S449-K451 VanDerWaalsContact C-N 3.25Å; S449-K451 PolarHBondContact O-N 3.24Å
452F32.5Very low47.4Very low190 Ų190110.3 Ų110.383%0.83362%0.618SS**  trans81.267.9-177.7-50.4-77.6000115.7H454F452-H454 VanDerWaalsContact C-N 3.34Å; F452-H454 PolarHBondContact O-N 2.96Å; F452-H454 VanDerWaalsContact O-N 3.09Å
453Y40.7Very low50.4Low200 Ų200105.4 Ų105.478%0.78458%0.584SS**  trans-67.896.8151.1-83.3-85.4000107.7P455Y453-P455 WeakPolarHBondContact O-CD 3.41Å
454H40.7Very low53.2Low154 Ų15499.9 Ų99.971%0.71355%0.545SS*.PPolyproline II helixtrans-69.1122.9152.5-83.6-63.2000106.8F452 L456F452-H454 VanDerWaalsContact C-N 3.34Å; F452-H454 PolarHBondContact O-N 2.96Å; F452-H454 VanDerWaalsContact O-N 3.09Å; H454-L456 PolarHBondContact O-N 3.22Å; H454-L456 VanDerWaalsContact O-N 3.08Å
455P54.3Low56.2Low41 Ų4198.7 Ų98.727%0.26653%0.53SS..PPolyproline II helixtrans-58.2117.8175.2-18.730000108.7E359 I363 Y453E359-P455 HydrophobicContact CB-CG 4.36Å; I363-P455 HydrophobicContact CD1-CG 4.16Å; I363-P455 HydrophobicContact CG1-CG 4.14Å; Y453-P455 WeakPolarHBondContact O-CD 3.41Å
456L62.3Low59.2Low151 Ų15193.8 Ų93.879%0.79150%0.5SS*.PPolyproline II helixtrans-68.4133.9172.8-71.1166.2000108.3Q362 H454 I458Q362-L456 PolarHBondContact NE2-O 3.3Å; H454-L456 PolarHBondContact O-N 3.22Å; H454-L456 VanDerWaalsContact O-N 3.08Å; L456-I458 PolarHBondContact O-N 2.96Å
457V72.2Confident62.1Low99 Ų9987.3 Ų87.360%0.647%0.465SS*.PPolyproline II helixtrans-58126172.8178.40000108.1S459V457-S459 PolarHBondContact O-N 2.97Å
458I80.1Confident64.8Low11 Ų1181.8 Ų81.86%0.05644%0.437CS..PPolyproline II helixtrans-72.8119.6-178.4-58.2169.3000107.5Q362 L388 A392 H396 L456 D462 C463 Y466Q362-I458 HydrophobicContact CG-CD1 4.38Å; L388-I458 HydrophobicContact CB-CD1 4.35Å; L388-I458 HydrophobicContact CD2-CD1 4.08Å; A392-I458 HydrophobicContact CB-CB 3.86Å; A392-I458 HydrophobicContact CB-CD1 4.21Å; A392-I458 HydrophobicContact CB-CG2 3.89Å; H396-I458 PolarHBondContact CE1-O 3.07Å; H396-I458 PolarHBondContact NE2-O 3.27Å; L456-I458 PolarHBondContact O-N 2.96Å; I458-D462 HydrophobicContact CG2-CB 3.98Å; I458-C463 HydrophobicContact CG2-CB 4.47Å; I458-Y466 HydrophobicContact CG2-CD2 4.34Å; I458-Y466 HydrophobicContact CG2-CE2 3.94Å
459S78.8Confident67.5Low39 Ų3981.4 Ų81.427%0.27342%0.419SS..PPolyproline II helixtrans-62.6152.3177.176.30000110.7V457 T461 D462 C463V457-S459 PolarHBondContact O-N 2.97Å; S459-T461 PolarHBondContact O-N 2.79Å; S459-T461 PolarHBondContact OG-OG1 3.23Å; S459-D462 WeakPolarHBondContact CB-OD2 3.44Å; S459-D462 PolarHBondContact O-N 3.3Å; S459-D462 VanDerWaalsContact O-N 3.14Å; S459-D462 WeakPolarHBondContact OG-CB 2.97Å; S459-D462 PolarHBondContact OG-N 3.35Å; S459-D462 PolarHBondContact OG-OD2 3.38Å; S459-C463 PolarHBondContact O-N 2.74Å
460S78.6Confident70.3Confident31 Ų3176.1 Ų76.122%0.21738%0.383CS..Hα-helixtrans-66-28.4179.291.10000112.1C463 C464 E498S460-C463 WeakPolarHBondContact O-CB 3.23Å; S460-C463 PolarHBondContact O-N 2.82Å; S460-C464 PolarHBondContact O-N 2.85Å; S460-C464 PolarHBondContact O-SG 2.93Å; S460-C464 VanDerWaalsContact O-SG 3.33Å; S460-E498 VanDerWaalsContact CB-OE1 3.31Å; S460-E498 WeakPolarHBondContact CB-OE1 3.2Å; S460-E498 WeakPolarHBondContact CB-OE2 3.42Å; S460-E498 PolarHBondContact OG-OE2 2.89Å
461T81.7Confident73.1Confident81 Ų8173.5 Ų73.550%0.49736%0.362SS..Hα-helixtrans-62.9-43.7170.639.60000112.5S459 C463 C464 N465S459-T461 PolarHBondContact O-N 2.79Å; S459-T461 PolarHBondContact OG-OG1 3.23Å; T461-C463 VanDerWaalsContact C-N 3.33Å; T461-C464 PolarHBondContact O-N 3.4Å; T461-N465 VanDerWaalsContact O-CG 3.29Å; T461-N465 PolarHBondContact O-N 3.43Å; T461-N465 PolarHBondContact O-ND2 3.01Å
462D84.2Confident75.7Confident66 Ų6670.5 Ų70.535%0.35335%0.351SS..Hα-helixtrans-66.5-38.9176.1-64.1-36.7000111I458 S459 C464 N465 Y466I458-D462 HydrophobicContact CG2-CB 3.98Å; S459-D462 WeakPolarHBondContact CB-OD2 3.44Å; S459-D462 PolarHBondContact O-N 3.3Å; S459-D462 VanDerWaalsContact O-N 3.14Å; S459-D462 WeakPolarHBondContact OG-CB 2.97Å; S459-D462 PolarHBondContact OG-N 3.35Å; S459-D462 PolarHBondContact OG-OD2 3.38Å; D462-C464 VanDerWaalsContact C-N 3.33Å; D462-C464 PolarHBondContact O-N 3.34Å; D462-N465 PolarHBondContact O-N 3.16Å; D462-N465 VanDerWaalsContact O-N 3.13Å; D462-Y466 HydrophobicContact CB-CE2 4.18Å; D462-Y466 WeakPolarHBondContact O-CD2 3.3Å; D462-Y466 VanDerWaalsContact O-CG 3.26Å; D462-Y466 PolarHBondContact O-N 3.4Å
463C87Confident78.3Confident1 Ų162.4 Ų62.41%0.00732%0.316CS..Hα-helixtrans-58-44.7174.1-175.10000111.8C389 A392 I458 S459 S460 T461 N465 Y466 A467C389-C463 PolarHBondContact SG-O 3.27Å; C389-C463 VanDerWaalsContact SG-O 3.41Å; A392-C463 HydrophobicContact CB-CB 3.93Å; I458-C463 HydrophobicContact CG2-CB 4.47Å; S459-C463 PolarHBondContact O-N 2.74Å; S460-C463 WeakPolarHBondContact O-CB 3.23Å; S460-C463 PolarHBondContact O-N 2.82Å; T461-C463 VanDerWaalsContact C-N 3.33Å; C463-N465 VanDerWaalsContact C-N 3.34Å; C463-N465 PolarHBondContact O-N 2.82Å; C463-Y466 PolarHBondContact O-N 3.46Å; C463-A467 WeakPolarHBondContact O-CB 2.97Å; C463-A467 PolarHBondContact O-N 3.43Å
464C86.1Confident80.5Confident0 Ų053.1 Ų53.10%028%0.28CS..Hα-helixtrans-62.1-40.9174.8-70.10000112.1S460 T461 D462 A467 L468 L495S460-C464 PolarHBondContact O-N 2.85Å; S460-C464 PolarHBondContact O-SG 2.93Å; S460-C464 VanDerWaalsContact O-SG 3.33Å; T461-C464 PolarHBondContact O-N 3.4Å; D462-C464 VanDerWaalsContact C-N 3.33Å; D462-C464 PolarHBondContact O-N 3.34Å; C464-A467 PolarHBondContact O-N 3.15Å; C464-L468 WeakPolarHBondContact O-CG 3.22Å; C464-L468 PolarHBondContact O-N 3.01Å; C464-L495 HydrophobicContact CB-CD2 4.45Å
465N88.3Confident82.6Confident85 Ų8552.6 Ų52.646%0.45528%0.278SS..Hα-helixtrans-66.7-44.8178.5-68-27000111.5T461 D462 C463 A467 L468 E469T461-N465 VanDerWaalsContact O-CG 3.29Å; T461-N465 PolarHBondContact O-N 3.43Å; T461-N465 PolarHBondContact O-ND2 3.01Å; D462-N465 PolarHBondContact O-N 3.16Å; D462-N465 VanDerWaalsContact O-N 3.13Å; C463-N465 VanDerWaalsContact C-N 3.34Å; C463-N465 PolarHBondContact O-N 2.82Å; N465-A467 VanDerWaalsContact C-N 3.3Å; N465-A467 PolarHBondContact O-N 3.07Å; N465-L468 PolarHBondContact O-N 2.94Å; N465-E469 WeakPolarHBondContact O-CB 3.01Å; N465-E469 PolarHBondContact O-N 2.87Å
466Y89.4Confident84.1Confident73 Ų7357.5 Ų57.529%0.28630%0.295SS..Hα-helixtrans-60.6-39.9173.8-64-29.5000111.8L385 I458 D462 C463 E469 T470L385-Y466 HydrophobicContact CD2-CD1 3.95Å; L385-Y466 HydrophobicContact CD2-CG 4.13Å; I458-Y466 HydrophobicContact CG2-CD2 4.34Å; I458-Y466 HydrophobicContact CG2-CE2 3.94Å; D462-Y466 HydrophobicContact CB-CE2 4.18Å; D462-Y466 WeakPolarHBondContact O-CD2 3.3Å; D462-Y466 VanDerWaalsContact O-CG 3.26Å; D462-Y466 PolarHBondContact O-N 3.4Å; C463-Y466 PolarHBondContact O-N 3.46Å; Y466-E469 PolarHBondContact O-N 2.92Å; Y466-T470 VanDerWaalsContact O-CB 3.28Å; Y466-T470 WeakPolarHBondContact O-CB 3.46Å; Y466-T470 PolarHBondContact O-N 2.96Å; Y466-T470 PolarHBondContact O-OG1 3.46Å
467A88.8Confident84.9Confident0 Ų051.1 Ų51.10%026%0.264CS..Hα-helixtrans-62.4-43.4176.600000112C463 C464 N465 T470 I471 V491 L494C463-A467 WeakPolarHBondContact O-CB 2.97Å; C463-A467 PolarHBondContact O-N 3.43Å; C464-A467 PolarHBondContact O-N 3.15Å; N465-A467 VanDerWaalsContact C-N 3.3Å; N465-A467 PolarHBondContact O-N 3.07Å; A467-T470 WeakPolarHBondContact O-CB 3.05Å; A467-T470 PolarHBondContact O-N 3.28Å; A467-I471 WeakPolarHBondContact O-CG1 3.4Å; A467-I471 PolarHBondContact O-N 2.82Å; A467-I471 VanDerWaalsContact O-N 3.11Å; A467-V491 HydrophobicContact CB-CG1 4.05Å; A467-V491 HydrophobicContact CB-CG2 3.97Å; A467-L494 HydrophobicContact CB-CD2 3.69Å
468L89Confident85Confident48 Ų4854.4 Ų54.425%0.25127%0.273SS..Hα-helixtrans-68.5-43.1176.7-68171.9000112.1C464 N465 T470 I471 E472 K503 I507C464-L468 WeakPolarHBondContact O-CG 3.22Å; C464-L468 PolarHBondContact O-N 3.01Å; N465-L468 PolarHBondContact O-N 2.94Å; L468-T470 PolarHBondContact O-N 2.98Å; L468-I471 WeakPolarHBondContact O-CB 3.35Å; L468-I471 PolarHBondContact O-N 3.19Å; L468-I471 VanDerWaalsContact O-N 3.1Å; L468-E472 PolarHBondContact O-N 2.83Å; L468-K503 HydrophobicContact CD1-CD 4.18Å; L468-I507 HydrophobicContact CD2-CD1 4.16Å
469E90.2Very high84.7Confident80 Ų8055 Ų5537%0.37428%0.276SS..Hα-helixtrans-58.2-39.9173.2-176.1179.2178.800110.9L385 N465 Y466 I471 E472 L473L385-E469 HydrophobicContact CD1-CG 4.11Å; N465-E469 WeakPolarHBondContact O-CB 3.01Å; N465-E469 PolarHBondContact O-N 2.87Å; Y466-E469 PolarHBondContact O-N 2.92Å; E469-I471 VanDerWaalsContact C-N 3.34Å; E469-I471 PolarHBondContact O-N 2.75Å; E469-E472 PolarHBondContact O-N 3.12Å; E469-L473 HydrophobicContact CG-CD1 4.15Å; E469-L473 HydrophobicContact CG-CG 4.48Å; E469-L473 WeakPolarHBondContact O-CG 3.38Å; E469-L473 PolarHBondContact O-N 2.85Å
470T89.7Confident84.3Confident0 Ų054.4 Ų54.40%027%0.27CS..Hα-helixtrans-65.2-35.9177.2-56.60000112A382 L385 E386 Y466 A467 L468 E472 L473 Y474 F487A382-T470 HydrophobicContact CB-CG2 3.98Å; A382-T470 WeakPolarHBondContact O-CG2 3.34Å; L385-T470 WeakPolarHBondContact CB-OG1 3.3Å; E386-T470 HydrophobicContact CB-CG2 4.42Å; Y466-T470 VanDerWaalsContact O-CB 3.28Å; Y466-T470 WeakPolarHBondContact O-CB 3.46Å; Y466-T470 PolarHBondContact O-N 2.96Å; Y466-T470 PolarHBondContact O-OG1 3.46Å; A467-T470 WeakPolarHBondContact O-CB 3.05Å; A467-T470 PolarHBondContact O-N 3.28Å; L468-T470 PolarHBondContact O-N 2.98Å; T470-E472 VanDerWaalsContact C-N 3.34Å; T470-L473 PolarHBondContact O-N 3.44Å; T470-Y474 HydrophobicContact CG2-CD2 3.63Å; T470-Y474 HydrophobicContact CG2-CE2 3.48Å; T470-Y474 VanDerWaalsContact CG2-CE2 3.48Å; T470-Y474 WeakPolarHBondContact O-CB 3.48Å; T470-Y474 WeakPolarHBondContact O-CD2 3.09Å; T470-Y474 PolarHBondContact O-N 3.2Å; T470-F487 VanDerWaalsContact CB-CZ 3.45Å; T470-F487 HydrophobicContact CG2-CD1 4.37Å; T470-F487 HydrophobicContact CG2-CE1 3.52Å; T470-F487 HydrophobicContact CG2-CE2 3.82Å; T470-F487 HydrophobicContact CG2-CZ 3.22Å
471I88Confident84Confident19 Ų1956.7 Ų56.710%0.09728%0.284CS..Hα-helixtrans-60.2-46.4172.9-68-178.8000110A467 L468 E469 L473 Y474 Q475 F484 F487 V491 I507A467-I471 WeakPolarHBondContact O-CG1 3.4Å; A467-I471 PolarHBondContact O-N 2.82Å; A467-I471 VanDerWaalsContact O-N 3.11Å; L468-I471 WeakPolarHBondContact O-CB 3.35Å; L468-I471 PolarHBondContact O-N 3.19Å; L468-I471 VanDerWaalsContact O-N 3.1Å; E469-I471 VanDerWaalsContact C-N 3.34Å; E469-I471 PolarHBondContact O-N 2.75Å; I471-L473 PolarHBondContact O-N 2.71Å; I471-Y474 PolarHBondContact O-N 2.98Å; I471-Q475 WeakPolarHBondContact O-CB 3.34Å; I471-Q475 PolarHBondContact O-N 3.33Å; I471-F484 HydrophobicContact CG2-CE2 4.04Å; I471-F484 HydrophobicContact CG2-CZ 3.95Å; I471-F484 WeakPolarHBondContact O-CE2 3.43Å; I471-F487 HydrophobicContact CG1-CD1 4.03Å; I471-F487 HydrophobicContact CG1-CE1 3.59Å; I471-V491 HydrophobicContact CD1-CB 4.17Å; I471-V491 HydrophobicContact CD1-CG1 3.89Å; I471-V491 HydrophobicContact CD1-CG2 4.21Å; I471-V491 HydrophobicContact CG1-CG2 4.3Å; I471-I507 HydrophobicContact CD1-CD1 3.82Å
472E88.2Confident83.5Confident111 Ų11157.1 Ų57.152%0.51928%0.277SS..Hα-helixtrans-64.1-39.8178.8-64.2-172.9-176.700112.4L468 E469 T470 Q475 K476L468-E472 PolarHBondContact O-N 2.83Å; E469-E472 PolarHBondContact O-N 3.12Å; T470-E472 VanDerWaalsContact C-N 3.34Å; E472-Q475 PolarHBondContact O-N 2.85Å; E472-K476 WeakPolarHBondContact O-CG 3.44Å; E472-K476 PolarHBondContact O-N 2.87Å; E472-K476 VanDerWaalsContact O-N 3.07Å
473L86.8Confident83Confident20 Ų2054.6 Ų54.611%0.10526%0.264CS..Hα-helixtrans-68.6-42.2178.6-70.4172000112.2I381 A382 L385 E469 T470 I471 Q475 K476 A477I381-L473 HydrophobicContact CB-CD1 4.47Å; I381-L473 HydrophobicContact CG2-CD1 3.82Å; A382-L473 HydrophobicContact CB-CB 3.85Å; L385-L473 HydrophobicContact CD1-CD1 3.63Å; E469-L473 HydrophobicContact CG-CD1 4.15Å; E469-L473 HydrophobicContact CG-CG 4.48Å; E469-L473 WeakPolarHBondContact O-CG 3.38Å; E469-L473 PolarHBondContact O-N 2.85Å; T470-L473 PolarHBondContact O-N 3.44Å; I471-L473 PolarHBondContact O-N 2.71Å; L473-Q475 VanDerWaalsContact C-N 3.29Å; L473-Q475 PolarHBondContact O-N 2.68Å; L473-K476 PolarHBondContact O-N 2.75Å; L473-A477 PolarHBondContact O-N 3.49Å; L473-A477 VanDerWaalsContact O-N 3.08Å
474Y86.6Confident82.7Confident5 Ų556 Ų562%0.0227%0.27CS..Hα-helixtrans-65.9-32.6173.9-80.9-46000112.2F106 L379 A382 E386 T470 I471 K476 A477 L479 F484 F487F106-Y474 HydrophobicContact CE1-CE1 4.25Å; F106-Y474 HydrophobicContact CZ-CE1 4.03Å; L379-Y474 HydrophobicContact CD1-CD1 4.22Å; L379-Y474 HydrophobicContact CD1-CE1 3.9Å; A382-Y474 HydrophobicContact CB-CD1 3.72Å; A382-Y474 HydrophobicContact CB-CD2 4.22Å; A382-Y474 HydrophobicContact CB-CE1 3.62Å; A382-Y474 HydrophobicContact CB-CE2 4.14Å; A382-Y474 HydrophobicContact CB-CG 4.02Å; E386-Y474 PolarHBondContact OE2-OH 2.77Å; T470-Y474 HydrophobicContact CG2-CD2 3.63Å; T470-Y474 HydrophobicContact CG2-CE2 3.48Å; T470-Y474 VanDerWaalsContact CG2-CE2 3.48Å; T470-Y474 WeakPolarHBondContact O-CB 3.48Å; T470-Y474 WeakPolarHBondContact O-CD2 3.09Å; T470-Y474 PolarHBondContact O-N 3.2Å; I471-Y474 PolarHBondContact O-N 2.98Å; Y474-K476 VanDerWaalsContact C-N 3.32Å; Y474-A477 PolarHBondContact O-N 2.63Å; Y474-L479 HydrophobicContact CD1-CD1 4.11Å; Y474-L479 HydrophobicContact CD1-CD2 3.71Å; Y474-L479 HydrophobicContact CD1-CG 4.36Å; Y474-L479 HydrophobicContact CE1-CD1 4.07Å; Y474-L479 HydrophobicContact CE1-CD2 4.03Å; Y474-L479 HydrophobicContact CG-CD2 4.14Å; Y474-F484 HydrophobicContact CG-CD2 4.33Å; Y474-F487 HydrophobicContact CD2-CB 4.42Å; Y474-F487 AromaticContact CD2-CD1 3.63Å; Y474-F487 HydrophobicContact CD2-CD1 3.63Å; Y474-F487 HydrophobicContact CD2-CD2 4.5Å; Y474-F487 HydrophobicContact CD2-CE1 4.02Å; Y474-F487 AromaticContact CD2-CG 3.91Å; Y474-F487 HydrophobicContact CD2-CG 3.91Å; Y474-F487 HydrophobicContact CE2-CB 4.29Å; Y474-F487 AromaticContact CE2-CD1 3.92Å; Y474-F487 HydrophobicContact CE2-CD1 3.92Å; Y474-F487 AromaticContact CE2-CD2 3.94Å; Y474-F487 HydrophobicContact CE2-CD2 3.94Å; Y474-F487 HydrophobicContact CE2-CE1 4.26Å; Y474-F487 HydrophobicContact CE2-CE2 4.3Å; Y474-F487 AromaticContact CE2-CG 3.75Å; Y474-F487 HydrophobicContact CE2-CG 3.75Å; Y474-F487 HydrophobicContact CE2-CZ 4.47Å
475Q84.3Confident82.5Confident144 Ų14457 Ų5767%0.67328%0.275SS*.Hα-helixtrans-68.5-31.2174.3-170.7173.50.900112.7I471 E472 L473 A477 F484I471-Q475 WeakPolarHBondContact O-CB 3.34Å; I471-Q475 PolarHBondContact O-N 3.33Å; E472-Q475 PolarHBondContact O-N 2.85Å; L473-Q475 VanDerWaalsContact C-N 3.29Å; L473-Q475 PolarHBondContact O-N 2.68Å; Q475-A477 VanDerWaalsContact C-N 3.34Å; Q475-F484 HydrophobicContact CB-CZ 4.02Å
476K85.3Confident82.2Confident143 Ų14353 Ų5362%0.62225%0.253SS*.Hα-helixtrans-76.5-21173.1-70.9166.5-175.1163.20112.8E472 L473 Y474E472-K476 WeakPolarHBondContact O-CG 3.44Å; E472-K476 PolarHBondContact O-N 2.87Å; E472-K476 VanDerWaalsContact O-N 3.07Å; L473-K476 PolarHBondContact O-N 2.75Å; Y474-K476 VanDerWaalsContact C-N 3.32Å
477A79.3Confident82.1Confident17 Ų1749.6 Ų49.614%0.1424%0.24CC..THydrogen-bonded Turntrans-89.5145.5178.900000111.2L379 L473 Y474 Q475 L479L379-A477 HydrophobicContact CB-CB 4.37Å; L473-A477 PolarHBondContact O-N 3.49Å; L473-A477 VanDerWaalsContact O-N 3.08Å; Y474-A477 PolarHBondContact O-N 2.63Å; Q475-A477 VanDerWaalsContact C-N 3.34Å; A477-L479 PolarHBondContact O-N 3.37Å
478E74.8Confident82.1Confident168 Ų16851.2 Ų51.279%0.78525%0.247SC*.THydrogen-bonded Turntrans-73.767.7166.3-69.4179.4168.300110R300R300-E478 IonicContact NH2-OE2 2.68Å; R300-E478 PolarHBondContact NH2-OE2 3.48Å
479L73.1Confident82.1Confident25 Ų2549 Ų4913%0.13124%0.235CC..  trans-86151.8172.1-160.183000109.6W103 L379 Y474 A477 L483 F484W103-L479 HydrophobicContact CZ3-CD1 4.35Å; L379-L479 HydrophobicContact CD1-CD1 3.22Å; Y474-L479 HydrophobicContact CD1-CD1 4.11Å; Y474-L479 HydrophobicContact CD1-CD2 3.71Å; Y474-L479 HydrophobicContact CD1-CG 4.36Å; Y474-L479 HydrophobicContact CE1-CD1 4.07Å; Y474-L479 HydrophobicContact CE1-CD2 4.03Å; Y474-L479 HydrophobicContact CG-CD2 4.14Å; A477-L479 PolarHBondContact O-N 3.37Å; L479-L483 HydrophobicContact CD2-CB 3.63Å; L479-L483 HydrophobicContact CG-CB 4.09Å; L479-F484 HydrophobicContact CD2-CB 3.99Å
480N71Confident82Confident25 Ų2545.2 Ų45.213%0.13422%0.217CC..  trans-58.2127.1167.3-177.6-6.8000110.2F2 W103 Y482 L483 F484F2-N480 WeakPolarHBondContact CD1-ND2 3.12Å; F2-N480 WeakPolarHBondContact CD2-ND2 3.08Å; F2-N480 WeakPolarHBondContact CE1-ND2 3.44Å; F2-N480 WeakPolarHBondContact CE2-ND2 3.41Å; F2-N480 WeakPolarHBondContact CG-ND2 3.39Å; F2-N480 WeakPolarHBondContact CZ-ND2 3.24Å; W103-N480 HydrophobicContact CZ2-CB 4.44Å; N480-Y482 PolarHBondContact O-N 3.16Å; N480-Y482 VanDerWaalsContact OD1-CD2 3.23Å; N480-Y482 WeakPolarHBondContact OD1-CD2 3.38Å; N480-Y482 PolarHBondContact OD1-N 2.68Å; N480-L483 HydrophobicContact CB-CB 4.48Å; N480-L483 HydrophobicContact CB-CD1 4.09Å; N480-L483 HydrophobicContact CB-CG 4.49Å; N480-L483 PolarHBondContact O-N 3.4Å; N480-F484 PolarHBondContact O-N 2.84Å
481P72.5Confident82Confident80 Ų8045.2 Ų45.252%0.51922%0.217SC..Hα-helixtrans-53.6-33.7-177.619.2-33.7000113.2F484 E485P481-F484 WeakPolarHBondContact O-CB 3.39Å; P481-F484 PolarHBondContact O-N 2.97Å; P481-E485 VanDerWaalsContact O-CG 3.31Å; P481-E485 WeakPolarHBondContact O-CG 3.27Å; P481-E485 PolarHBondContact O-N 2.86Å
482Y72Confident82.1Confident89 Ų8944.3 Ų44.335%0.34921%0.213SC..Hα-helixtrans-67.3-38.3179.3-70.6-54.7000114.7F2 I4 N480 F484 E485 E486F2-Y482 AromaticContact CD2-CD2 3.7Å; F2-Y482 HydrophobicContact CD2-CD2 3.7Å; F2-Y482 HydrophobicContact CD2-CE2 4.27Å; F2-Y482 HydrophobicContact CE2-CD2 4.22Å; I4-Y482 HydrophobicContact CD1-CD1 3.29Å; I4-Y482 HydrophobicContact CD1-CD2 4.4Å; I4-Y482 HydrophobicContact CD1-CE1 4.2Å; I4-Y482 HydrophobicContact CD1-CG 3.42Å; I4-Y482 VanDerWaalsContact CD1-CG 3.42Å; I4-Y482 HydrophobicContact CG1-CG 4.32Å; N480-Y482 PolarHBondContact O-N 3.16Å; N480-Y482 VanDerWaalsContact OD1-CD2 3.23Å; N480-Y482 WeakPolarHBondContact OD1-CD2 3.38Å; N480-Y482 PolarHBondContact OD1-N 2.68Å; Y482-F484 VanDerWaalsContact C-N 3.31Å; Y482-E485 PolarHBondContact O-N 3.37Å; Y482-E486 PolarHBondContact O-N 3.46Å; Y482-E486 VanDerWaalsContact O-N 3.1Å
483L72.4Confident82.1Confident13 Ų1342 Ų427%0.06820%0.199CC..Hα-helixtrans-68.4-37.1174.5-82.5164000110.8W103 R110 L479 N480 E485 E486 F487W103-L483 HydrophobicContact CD2-CD1 3.5Å; W103-L483 VanDerWaalsContact CE2-CD1 3.42Å; W103-L483 HydrophobicContact CE3-CD1 3.61Å; W103-L483 HydrophobicContact CG-CD1 4.22Å; W103-L483 HydrophobicContact CH2-CD1 3.6Å; W103-L483 HydrophobicContact CZ2-CD1 3.49Å; W103-L483 VanDerWaalsContact CZ2-CD1 3.49Å; W103-L483 HydrophobicContact CZ3-CD1 3.66Å; R110-L483 VanDerWaalsContact CZ-CD2 3.44Å; L479-L483 HydrophobicContact CD2-CB 3.63Å; L479-L483 HydrophobicContact CG-CB 4.09Å; N480-L483 HydrophobicContact CB-CB 4.48Å; N480-L483 HydrophobicContact CB-CD1 4.09Å; N480-L483 HydrophobicContact CB-CG 4.49Å; N480-L483 PolarHBondContact O-N 3.4Å; L483-E485 VanDerWaalsContact C-N 3.34Å; L483-E486 PolarHBondContact O-N 3.28Å; L483-F487 PolarHBondContact O-N 2.89Å
484F81.9Confident82Confident31 Ų3141.2 Ų41.214%0.13620%0.195CC..Hα-helixtrans-66.3-38.5176.7-176.6-132.6000111.6I471 Y474 Q475 L479 N480 P481 Y482 F487 K488I471-F484 HydrophobicContact CG2-CE2 4.04Å; I471-F484 HydrophobicContact CG2-CZ 3.95Å; I471-F484 WeakPolarHBondContact O-CE2 3.43Å; Y474-F484 HydrophobicContact CG-CD2 4.33Å; Q475-F484 HydrophobicContact CB-CZ 4.02Å; L479-F484 HydrophobicContact CD2-CB 3.99Å; N480-F484 PolarHBondContact O-N 2.84Å; P481-F484 WeakPolarHBondContact O-CB 3.39Å; P481-F484 PolarHBondContact O-N 2.97Å; Y482-F484 VanDerWaalsContact C-N 3.31Å; F484-F487 PolarHBondContact O-N 3.03Å; F484-K488 HydrophobicContact CE1-CD 4.39Å; F484-K488 VanDerWaalsContact CZ-CE 3.44Å; F484-K488 WeakPolarHBondContact O-CG 3.33Å; F484-K488 PolarHBondContact O-N 2.94Å
485E81.7Confident82Confident22 Ų2241 Ų4110%0.10319%0.194CC..Hα-helixtrans-63.6-46173.2-74.1171.9174.100112.5P481 Y482 L483 F487 K488 F489 L511 R529P481-E485 VanDerWaalsContact O-CG 3.31Å; P481-E485 WeakPolarHBondContact O-CG 3.27Å; P481-E485 PolarHBondContact O-N 2.86Å; Y482-E485 PolarHBondContact O-N 3.37Å; L483-E485 VanDerWaalsContact C-N 3.34Å; E485-F487 VanDerWaalsContact C-N 3.27Å; E485-F487 PolarHBondContact O-N 3.33Å; E485-K488 WeakPolarHBondContact O-CB 3.37Å; E485-K488 PolarHBondContact O-N 2.9Å; E485-K488 VanDerWaalsContact O-N 3.13Å; E485-F489 WeakPolarHBondContact O-CD2 3.27Å; E485-F489 PolarHBondContact O-N 3.34Å; E485-L511 HydrophobicContact CG-CD2 4Å; E485-R529 IonicContact OE1-CZ 2.68Å; E485-R529 IonicContact OE1-NH1 3.31Å; E485-R529 PolarHBondContact OE1-NH1 3.47Å; E485-R529 IonicContact OE1-NH2 2.76Å; E485-R529 PolarHBondContact OE1-NH2 3.04Å; E485-R529 IonicContact OE2-CZ 2.69Å; E485-R529 IonicContact OE2-NE 3.99Å; E485-R529 IonicContact OE2-NH1 2.61Å; E485-R529 PolarHBondContact OE2-NH1 3.14Å; E485-R529 IonicContact OE2-NH2 2.99Å
486E82Confident82.1Confident1 Ų134.4 Ų34.41%0.00516%0.164CC..Hα-helixtrans-56.1-45.3174.5-168.1-173.5124.800111.3I4 D5 A8 Y109 R110 Y482 L483 K488 F489 K490I4-E486 HydrophobicContact CG2-CB 3.85Å; I4-E486 HydrophobicContact CG2-CG 4.23Å; D5-E486 WeakPolarHBondContact O-CG 3.41Å; A8-E486 HydrophobicContact CB-CG 4.47Å; Y109-E486 PolarHBondContact OH-OE1 3.07Å; R110-E486 IonicContact CZ-OE1 2.67Å; R110-E486 IonicContact CZ-OE2 2.83Å; R110-E486 IonicContact NH1-OE1 3.32Å; R110-E486 IonicContact NH1-OE2 3.67Å; R110-E486 PolarHBondContact NH1-OE2 3.06Å; R110-E486 IonicContact NH2-OE1 2.8Å; R110-E486 PolarHBondContact NH2-OE1 2.98Å; R110-E486 IonicContact NH2-OE2 2.86Å; R110-E486 PolarHBondContact NH2-OE2 3.07Å; Y482-E486 PolarHBondContact O-N 3.46Å; Y482-E486 VanDerWaalsContact O-N 3.1Å; L483-E486 PolarHBondContact O-N 3.28Å; E486-K488 VanDerWaalsContact C-N 3.35Å; E486-K488 PolarHBondContact O-N 3.28Å; E486-F489 PolarHBondContact O-N 3.46Å; E486-K490 PolarHBondContact O-N 3.46Å; E486-K490 VanDerWaalsContact OE1-CE 3.25Å; E486-K490 WeakPolarHBondContact OE1-CE 3.36Å; E486-K490 IonicContact OE1-NZ 3.65Å; E486-K490 PolarHBondContact OE1-NZ 3.49Å
487F86.4Confident81.9Confident1 Ų130.1 Ų30.10%0.00415%0.152CC..Hα-helixtrans-60.6-44.6176.9-178.5-106000111.6F10 E386 T470 I471 Y474 L483 F484 E485 F489 K490 V491F10-F487 AromaticContact CE1-CE2 3.96Å; F10-F487 HydrophobicContact CE1-CE2 3.96Å; F10-F487 AromaticContact CZ-CE2 3.76Å; F10-F487 HydrophobicContact CZ-CE2 3.76Å; F10-F487 HydrophobicContact CZ-CZ 4.33Å; E386-F487 HydrophobicContact CB-CE2 4.02Å; E386-F487 HydrophobicContact CG-CD2 4.04Å; E386-F487 HydrophobicContact CG-CE2 3.79Å; T470-F487 VanDerWaalsContact CB-CZ 3.45Å; T470-F487 HydrophobicContact CG2-CD1 4.37Å; T470-F487 HydrophobicContact CG2-CE1 3.52Å; T470-F487 HydrophobicContact CG2-CE2 3.82Å; T470-F487 HydrophobicContact CG2-CZ 3.22Å; I471-F487 HydrophobicContact CG1-CD1 4.03Å; I471-F487 HydrophobicContact CG1-CE1 3.59Å; Y474-F487 HydrophobicContact CD2-CB 4.42Å; Y474-F487 AromaticContact CD2-CD1 3.63Å; Y474-F487 HydrophobicContact CD2-CD1 3.63Å; Y474-F487 HydrophobicContact CD2-CD2 4.5Å; Y474-F487 HydrophobicContact CD2-CE1 4.02Å; Y474-F487 AromaticContact CD2-CG 3.91Å; Y474-F487 HydrophobicContact CD2-CG 3.91Å; Y474-F487 HydrophobicContact CE2-CB 4.29Å; Y474-F487 AromaticContact CE2-CD1 3.92Å; Y474-F487 HydrophobicContact CE2-CD1 3.92Å; Y474-F487 AromaticContact CE2-CD2 3.94Å; Y474-F487 HydrophobicContact CE2-CD2 3.94Å; Y474-F487 HydrophobicContact CE2-CE1 4.26Å; Y474-F487 HydrophobicContact CE2-CE2 4.3Å; Y474-F487 AromaticContact CE2-CG 3.75Å; Y474-F487 HydrophobicContact CE2-CG 3.75Å; Y474-F487 HydrophobicContact CE2-CZ 4.47Å; L483-F487 PolarHBondContact O-N 2.89Å; F484-F487 PolarHBondContact O-N 3.03Å; E485-F487 VanDerWaalsContact C-N 3.27Å; E485-F487 PolarHBondContact O-N 3.33Å; F487-F489 VanDerWaalsContact C-N 3.29Å; F487-F489 PolarHBondContact O-N 3Å; F487-K490 WeakPolarHBondContact O-CB 3.21Å; F487-K490 PolarHBondContact O-N 2.86Å; F487-K490 VanDerWaalsContact O-N 3.1Å; F487-V491 HydrophobicContact CD1-CG2 4.06Å; F487-V491 HydrophobicContact CD2-CG2 4.49Å; F487-V491 HydrophobicContact CE1-CG2 3.52Å; F487-V491 HydrophobicContact CE2-CG2 3.98Å; F487-V491 HydrophobicContact CZ-CG2 3.43Å; F487-V491 VanDerWaalsContact CZ-CG2 3.43Å; F487-V491 WeakPolarHBondContact O-CG2 3.37Å; F487-V491 PolarHBondContact O-N 3.37Å
488K88.3Confident82.1Confident34 Ų3431.5 Ų31.515%0.14816%0.155CC..Hα-helixtrans-57.1-41.4174.2-74.8178172.5-172.60112.2F484 E485 E486 V491 I492 I507 L511F484-K488 HydrophobicContact CE1-CD 4.39Å; F484-K488 VanDerWaalsContact CZ-CE 3.44Å; F484-K488 WeakPolarHBondContact O-CG 3.33Å; F484-K488 PolarHBondContact O-N 2.94Å; E485-K488 WeakPolarHBondContact O-CB 3.37Å; E485-K488 PolarHBondContact O-N 2.9Å; E485-K488 VanDerWaalsContact O-N 3.13Å; E486-K488 VanDerWaalsContact C-N 3.35Å; E486-K488 PolarHBondContact O-N 3.28Å; K488-V491 PolarHBondContact O-N 3.32Å; K488-I492 WeakPolarHBondContact O-CB 3.5Å; K488-I492 WeakPolarHBondContact O-CD1 3.27Å; K488-I492 WeakPolarHBondContact O-CG1 3.36Å; K488-I492 PolarHBondContact O-N 3.41Å; K488-I507 HydrophobicContact CB-CG2 4.13Å; K488-I507 HydrophobicContact CD-CG2 4.26Å; K488-I507 HydrophobicContact CG-CG2 4.13Å; K488-L511 HydrophobicContact CB-CD1 4.06Å; K488-L511 HydrophobicContact CD-CD1 4.46Å; K488-L511 HydrophobicContact CD-CD2 3.71Å; K488-L511 HydrophobicContact CD-CG 4.24Å
489F88.8Confident82.3Confident0 Ų028.2 Ų28.20%015%0.151CC..Hα-helixtrans-62.9-40.5175.6-73.4-62.9000112.6Y6 E485 E486 F487 I492 R493 L508 L511 R529 T532 I533 L536Y6-F489 AromaticContact CD1-CD2 3.73Å; Y6-F489 HydrophobicContact CD1-CD2 3.73Å; Y6-F489 AromaticContact CD1-CE2 3.48Å; Y6-F489 HydrophobicContact CD1-CE2 3.48Å; Y6-F489 VanDerWaalsContact CD1-CE2 3.48Å; Y6-F489 HydrophobicContact CD1-CZ 4.47Å; Y6-F489 HydrophobicContact CE1-CE2 4.07Å; Y6-F489 HydrophobicContact CG-CE2 4.41Å; E485-F489 WeakPolarHBondContact O-CD2 3.27Å; E485-F489 PolarHBondContact O-N 3.34Å; E486-F489 PolarHBondContact O-N 3.46Å; F487-F489 VanDerWaalsContact C-N 3.29Å; F487-F489 PolarHBondContact O-N 3Å; F489-I492 HydrophobicContact CD1-CD1 4.43Å; F489-I492 PolarHBondContact O-N 2.96Å; F489-R493 WeakPolarHBondContact O-CG 3.39Å; F489-R493 PolarHBondContact O-N 2.74Å; F489-L508 HydrophobicContact CE1-CD1 4.23Å; F489-L511 HydrophobicContact CD1-CD1 4.21Å; F489-L511 HydrophobicContact CE1-CD1 3.87Å; F489-L511 HydrophobicContact CE2-CD1 4.31Å; F489-L511 HydrophobicContact CZ-CD1 3.93Å; F489-R529 HydrophobicContact CE2-CG 4.31Å; F489-R529 HydrophobicContact CZ-CG 4.23Å; F489-T532 HydrophobicContact CD1-CG2 4.07Å; F489-T532 HydrophobicContact CE1-CG2 4.19Å; F489-I533 HydrophobicContact CE1-CG1 3.66Å; F489-I533 HydrophobicContact CZ-CD1 4.22Å; F489-I533 HydrophobicContact CZ-CG1 3.72Å; F489-L536 HydrophobicContact CD1-CD1 3.46Å; F489-L536 VanDerWaalsContact CD1-CD1 3.46Å; F489-L536 HydrophobicContact CE1-CD1 3.95Å
490K90Very high82.8Confident2 Ų229.5 Ų29.51%0.00916%0.156CC..Hα-helixtrans-61.1-44.5173-64.4178.4-165174.20111.8A8 F10 H13 Y109 E386 E486 F487 R493 L494A8-K490 WeakPolarHBondContact O-CG 3.27Å; F10-K490 HydrophobicContact CD2-CB 3.96Å; F10-K490 HydrophobicContact CE2-CB 3.7Å; F10-K490 WeakPolarHBondContact CE2-O 3.35Å; F10-K490 HydrophobicContact CZ-CB 4.08Å; H13-K490 PolarHBondContact NE2-NZ 3.44Å; H13-K490 VanDerWaalsContact NE2-NZ 3.17Å; Y109-K490 PolarHBondContact OH-NZ 3.18Å; E386-K490 IonicContact OE1-NZ 3.76Å; E386-K490 PolarHBondContact OE1-NZ 3.07Å; E486-K490 PolarHBondContact O-N 3.46Å; E486-K490 VanDerWaalsContact OE1-CE 3.25Å; E486-K490 WeakPolarHBondContact OE1-CE 3.36Å; E486-K490 IonicContact OE1-NZ 3.65Å; E486-K490 PolarHBondContact OE1-NZ 3.49Å; F487-K490 WeakPolarHBondContact O-CB 3.21Å; F487-K490 PolarHBondContact O-N 2.86Å; F487-K490 VanDerWaalsContact O-N 3.1Å; K490-R493 PolarHBondContact O-N 3.05Å; K490-L494 PolarHBondContact O-N 3.26Å
491V89.1Confident83.3Confident0 Ų030.9 Ų30.90%016%0.161CC..Hα-helixtrans-65.4-40.9178177.80000111.4F10 A467 I471 F487 K488 R493 L494 L495 I507F10-V491 HydrophobicContact CE2-CG2 4.36Å; F10-V491 HydrophobicContact CZ-CG2 4.13Å; A467-V491 HydrophobicContact CB-CG1 4.05Å; A467-V491 HydrophobicContact CB-CG2 3.97Å; I471-V491 HydrophobicContact CD1-CB 4.17Å; I471-V491 HydrophobicContact CD1-CG1 3.89Å; I471-V491 HydrophobicContact CD1-CG2 4.21Å; I471-V491 HydrophobicContact CG1-CG2 4.3Å; F487-V491 HydrophobicContact CD1-CG2 4.06Å; F487-V491 HydrophobicContact CD2-CG2 4.49Å; F487-V491 HydrophobicContact CE1-CG2 3.52Å; F487-V491 HydrophobicContact CE2-CG2 3.98Å; F487-V491 HydrophobicContact CZ-CG2 3.43Å; F487-V491 VanDerWaalsContact CZ-CG2 3.43Å; F487-V491 WeakPolarHBondContact O-CG2 3.37Å; F487-V491 PolarHBondContact O-N 3.37Å; K488-V491 PolarHBondContact O-N 3.32Å; V491-R493 VanDerWaalsContact C-N 3.3Å; V491-R493 PolarHBondContact O-N 2.9Å; V491-L494 WeakPolarHBondContact O-CB 3.5Å; V491-L494 PolarHBondContact O-N 3.24Å; V491-L495 HydrophobicContact CG1-CD1 3.89Å; V491-L495 HydrophobicContact CG1-CG 4.19Å; V491-L495 WeakPolarHBondContact O-CB 3.37Å; V491-L495 VanDerWaalsContact O-CG 3.3Å; V491-L495 WeakPolarHBondContact O-CG 3.35Å; V491-L495 PolarHBondContact O-N 2.84Å; V491-I507 HydrophobicContact CG1-CD1 4.29Å
492I89Confident83.8Confident0 Ų036.6 Ų36.60%017%0.172CC..Hα-helixtrans-59.1-44.4175.3-70.3160.3000110.1K488 F489 L495 I496 A504 I507 L508 L511 L536 M540K488-I492 WeakPolarHBondContact O-CB 3.5Å; K488-I492 WeakPolarHBondContact O-CD1 3.27Å; K488-I492 WeakPolarHBondContact O-CG1 3.36Å; K488-I492 PolarHBondContact O-N 3.41Å; F489-I492 HydrophobicContact CD1-CD1 4.43Å; F489-I492 PolarHBondContact O-N 2.96Å; I492-L495 PolarHBondContact O-N 3.02Å; I492-I496 HydrophobicContact CG2-CD1 3.82Å; I492-I496 HydrophobicContact CG2-CG1 4.4Å; I492-I496 VanDerWaalsContact O-CG1 3.23Å; I492-I496 WeakPolarHBondContact O-CG1 3.44Å; I492-I496 PolarHBondContact O-N 3.41Å; I492-A504 HydrophobicContact CG2-CB 4.3Å; I492-I507 HydrophobicContact CD1-CB 4.34Å; I492-I507 HydrophobicContact CD1-CG2 3.9Å; I492-I507 HydrophobicContact CG1-CB 4.08Å; I492-I507 HydrophobicContact CG1-CG2 3.91Å; I492-L508 HydrophobicContact CD1-CB 3.97Å; I492-L508 HydrophobicContact CD1-CD1 3.9Å; I492-L511 HydrophobicContact CD1-CD1 3.75Å; I492-L536 HydrophobicContact CG2-CD1 4.04Å; I492-L536 HydrophobicContact CG2-CD2 4.26Å; I492-M540 HydrophobicContact CG2-CE 4.29Å
493R88Confident84.4Confident63 Ų6336.1 Ų36.124%0.23817%0.172CC..Hα-helixtrans-62.9-42.5177.1-71.7167.7171.9-160.8-14112.7E7 A8 F489 K490 V491 I496 S497 L536E7-R493 VanDerWaalsContact CA-NH2 3.33Å; E7-R493 PolarHBondContact O-NH1 2.75Å; A8-R493 PolarHBondContact O-NH1 3.44Å; F489-R493 WeakPolarHBondContact O-CG 3.39Å; F489-R493 PolarHBondContact O-N 2.74Å; K490-R493 PolarHBondContact O-N 3.05Å; V491-R493 VanDerWaalsContact C-N 3.3Å; V491-R493 PolarHBondContact O-N 2.9Å; R493-I496 PolarHBondContact O-N 3.22Å; R493-S497 PolarHBondContact O-N 2.71Å; R493-S497 PolarHBondContact O-OG 3.24Å; R493-L536 HydrophobicContact CG-CD2 3.65Å
494L86.2Confident85.1Confident2 Ų235.5 Ų35.51%0.0117%0.169CC..Hα-helixtrans-58.6-46172.417469000111.5F10 M393 A467 K490 V491 I496 S497 E498F10-L494 HydrophobicContact CD2-CB 4.18Å; F10-L494 HydrophobicContact CE2-CB 4Å; F10-L494 HydrophobicContact CE2-CD2 3.99Å; M393-L494 HydrophobicContact CE-CD1 4.14Å; M393-L494 HydrophobicContact CG-CD1 3.85Å; M393-L494 HydrophobicContact SD-CD1 3.2Å; M393-L494 WeakPolarHBondContact SD-CD1 3.36Å; A467-L494 HydrophobicContact CB-CD2 3.69Å; K490-L494 PolarHBondContact O-N 3.26Å; V491-L494 WeakPolarHBondContact O-CB 3.5Å; V491-L494 PolarHBondContact O-N 3.24Å; L494-I496 VanDerWaalsContact C-N 3.32Å; L494-I496 PolarHBondContact O-N 2.65Å; L494-S497 PolarHBondContact O-N 3.15Å; L494-S497 PolarHBondContact O-OG 3.41Å; L494-E498 HydrophobicContact CD1-CG 4.3Å; L494-E498 WeakPolarHBondContact O-CB 3.33Å; L494-E498 VanDerWaalsContact O-CG 3.3Å; L494-E498 WeakPolarHBondContact O-CG 3.41Å; L494-E498 PolarHBondContact O-N 2.88Å
495L86.9Confident85.2Confident0 Ų034.6 Ų34.60%017%0.166CC..Hα-helixtrans-68.8-30.8-179.9-69.2171.3000112.7C464 V491 I492 S499 Q500 K503 A504 I507C464-L495 HydrophobicContact CB-CD2 4.45Å; V491-L495 HydrophobicContact CG1-CD1 3.89Å; V491-L495 HydrophobicContact CG1-CG 4.19Å; V491-L495 WeakPolarHBondContact O-CB 3.37Å; V491-L495 VanDerWaalsContact O-CG 3.3Å; V491-L495 WeakPolarHBondContact O-CG 3.35Å; V491-L495 PolarHBondContact O-N 2.84Å; I492-L495 PolarHBondContact O-N 3.02Å; L495-S499 PolarHBondContact O-N 3.23Å; L495-Q500 HydrophobicContact CB-CB 4.44Å; L495-Q500 HydrophobicContact CD2-CB 4.05Å; L495-Q500 WeakPolarHBondContact O-CA 3.44Å; L495-Q500 PolarHBondContact O-N 3.37Å; L495-K503 HydrophobicContact CD1-CB 4.04Å; L495-A504 HydrophobicContact CB-CB 3.84Å; L495-A504 HydrophobicContact CD1-CB 4.46Å; L495-I507 HydrophobicContact CD1-CD1 3.76Å
496I84.8Confident85.4Confident7 Ų739 Ų394%0.03619%0.186CC..Hα-helixtrans-67-49.2172.6-67.7166.1000109.8I492 R493 L494 E498 S499 A504 L536 M540I492-I496 HydrophobicContact CG2-CD1 3.82Å; I492-I496 HydrophobicContact CG2-CG1 4.4Å; I492-I496 VanDerWaalsContact O-CG1 3.23Å; I492-I496 WeakPolarHBondContact O-CG1 3.44Å; I492-I496 PolarHBondContact O-N 3.41Å; R493-I496 PolarHBondContact O-N 3.22Å; L494-I496 VanDerWaalsContact C-N 3.32Å; L494-I496 PolarHBondContact O-N 2.65Å; I496-E498 PolarHBondContact O-N 3.13Å; I496-S499 PolarHBondContact O-N 3.04Å; I496-A504 HydrophobicContact CG1-CB 4.17Å; I496-L536 HydrophobicContact CD1-CD2 3.81Å; I496-M540 HydrophobicContact CD1-CE 4.11Å; I496-M540 HydrophobicContact CD1-CG 3.8Å; I496-M540 HydrophobicContact CD1-SD 4.37Å; I496-M540 HydrophobicContact CG1-CG 3.67Å; I496-M540 HydrophobicContact CG1-SD 4.19Å
497S81.3Confident85.6Confident53 Ų5340 Ų4037%0.37119%0.192SC..Hα-helixtrans-61.7-31.7178.859.80000112.6R493 L494 S499R493-S497 PolarHBondContact O-N 2.71Å; R493-S497 PolarHBondContact O-OG 3.24Å; L494-S497 PolarHBondContact O-N 3.15Å; L494-S497 PolarHBondContact O-OG 3.41Å; S497-S499 VanDerWaalsContact C-N 3.28Å; S497-S499 PolarHBondContact O-N 3.35Å
498E83.7Confident85.5Confident46 Ų4640 Ų4022%0.21519%0.192CC..THydrogen-bonded Turntrans-86.512.4176-65-60.6149.800113.8S460 L494 I496 Q500S460-E498 VanDerWaalsContact CB-OE1 3.31Å; S460-E498 WeakPolarHBondContact CB-OE1 3.2Å; S460-E498 WeakPolarHBondContact CB-OE2 3.42Å; S460-E498 PolarHBondContact OG-OE2 2.89Å; L494-E498 HydrophobicContact CD1-CG 4.3Å; L494-E498 WeakPolarHBondContact O-CB 3.33Å; L494-E498 VanDerWaalsContact O-CG 3.3Å; L494-E498 WeakPolarHBondContact O-CG 3.41Å; L494-E498 PolarHBondContact O-N 2.88Å; I496-E498 PolarHBondContact O-N 3.13Å; E498-Q500 PolarHBondContact O-N 3.18Å
499S79.2Confident85.3Confident98 Ų9840.8 Ų40.869%0.68520%0.198SC*.THydrogen-bonded Turntrans60.310.9-179.574.40000116.4L495 I496 S497 K501L495-S499 PolarHBondContact O-N 3.23Å; I496-S499 PolarHBondContact O-N 3.04Å; S497-S499 VanDerWaalsContact C-N 3.28Å; S497-S499 PolarHBondContact O-N 3.35Å; S499-K501 PolarHBondContact O-N 3.05Å
500Q83.9Confident85Confident53 Ų5343.4 Ų43.425%0.24822%0.216CC..  trans-82.254.3176.8-62.3-167.315.900112.7L495 E498 R502 K503 A504L495-Q500 HydrophobicContact CB-CB 4.44Å; L495-Q500 HydrophobicContact CD2-CB 4.05Å; L495-Q500 WeakPolarHBondContact O-CA 3.44Å; L495-Q500 PolarHBondContact O-N 3.37Å; E498-Q500 PolarHBondContact O-N 3.18Å; Q500-R502 PolarHBondContact O-N 2.92Å; Q500-R502 VanDerWaalsContact O-N 3.1Å; Q500-K503 PolarHBondContact O-N 2.86Å; Q500-A504 PolarHBondContact O-N 3.39Å
501K82Confident84.5Confident54 Ų5443.4 Ų43.424%0.23522%0.216CC..Hα-helixtrans-56.5-30.9-173.3-63.1-173.9176.6-169.70114.3S499 C505 M540S499-K501 PolarHBondContact O-N 3.05Å; K501-C505 VanDerWaalsContact O-CB 3.27Å; K501-C505 WeakPolarHBondContact O-CB 3.44Å; K501-C505 PolarHBondContact O-N 3.22Å; K501-M540 PolarHBondContact NZ-O 3.32Å
502R82.6Confident83.9Confident200 Ų20044.6 Ų44.676%0.75522%0.223SC*.Hα-helixtrans-65.9-50.3-179.5-174.3175.8177.2167.32.3112.6Q500 C505 E506Q500-R502 PolarHBondContact O-N 2.92Å; Q500-R502 VanDerWaalsContact O-N 3.1Å; R502-C505 WeakPolarHBondContact O-CB 3.4Å; R502-C505 PolarHBondContact O-N 3.01Å; R502-E506 IonicContact NE-OE1 3.71Å; R502-E506 WeakPolarHBondContact O-CG 3.33Å; R502-E506 PolarHBondContact O-N 2.97Å
503K84.5Confident82.9Confident79 Ų7946.8 Ų46.834%0.34325%0.246SC..Hα-helixtrans-65.8-40.8177.6-66.3-176-171.1164.40111.2L468 L495 Q500 C505 E506 I507L468-K503 HydrophobicContact CD1-CD 4.18Å; L495-K503 HydrophobicContact CD1-CB 4.04Å; Q500-K503 PolarHBondContact O-N 2.86Å; K503-C505 VanDerWaalsContact C-N 3.26Å; K503-C505 PolarHBondContact O-N 3.39Å; K503-E506 PolarHBondContact O-N 3.28Å; K503-I507 WeakPolarHBondContact O-CG1 3.04Å; K503-I507 PolarHBondContact O-N 3.42Å; K503-I507 VanDerWaalsContact O-N 3.11Å
504A87.5Confident82Confident0 Ų046.8 Ų46.80%025%0.254CS..Hα-helixtrans-56.1-43.6174.600000111.4I492 L495 I496 Q500 L508 M540I492-A504 HydrophobicContact CG2-CB 4.3Å; L495-A504 HydrophobicContact CB-CB 3.84Å; L495-A504 HydrophobicContact CD1-CB 4.46Å; I496-A504 HydrophobicContact CG1-CB 4.17Å; Q500-A504 PolarHBondContact O-N 3.39Å; A504-L508 VanDerWaalsContact O-CB 3.27Å; A504-L508 WeakPolarHBondContact O-CB 3.27Å; A504-L508 PolarHBondContact O-N 2.78Å; A504-M540 HydrophobicContact CB-CE 4.42Å; A504-M540 HydrophobicContact CB-SD 3.77Å
505C84.4Confident81Confident12 Ų1246.7 Ų46.78%0.08125%0.253CS..Hα-helixtrans-66.2-41.3177.7-168.80000113.2K501 R502 K503 I507 L508 D509 M540 F542 K545K501-C505 VanDerWaalsContact O-CB 3.27Å; K501-C505 WeakPolarHBondContact O-CB 3.44Å; K501-C505 PolarHBondContact O-N 3.22Å; R502-C505 WeakPolarHBondContact O-CB 3.4Å; R502-C505 PolarHBondContact O-N 3.01Å; K503-C505 VanDerWaalsContact C-N 3.26Å; K503-C505 PolarHBondContact O-N 3.39Å; C505-I507 PolarHBondContact O-N 3.32Å; C505-L508 PolarHBondContact O-N 3.13Å; C505-D509 VanDerWaalsContact O-CB 3.27Å; C505-D509 WeakPolarHBondContact O-CB 3.2Å; C505-D509 PolarHBondContact O-N 2.95Å; C505-D509 PolarHBondContact SG-OD2 3.43Å; C505-M540 HydrophobicContact CB-SD 4.43Å; C505-F542 HydrophobicContact CB-CE2 4.04Å; C505-K545 PolarHBondContact SG-NZ 2.95Å
506E85.6Confident79.7Confident113 Ų11349.8 Ų49.853%0.52827%0.27SS..Hα-helixtrans-61.9-42.7177.4-72.5169.4-169.900111.5R502 K503 S510R502-E506 IonicContact NE-OE1 3.71Å; R502-E506 WeakPolarHBondContact O-CG 3.33Å; R502-E506 PolarHBondContact O-N 2.97Å; K503-E506 PolarHBondContact O-N 3.28Å; E506-S510 PolarHBondContact O-N 3.22Å
507I85.2Confident78.7Confident24 Ų2454.4 Ų54.412%0.12330%0.302CS..Hα-helixtrans-68.8-42.9176.2-58.5168.8000110.4L468 I471 K488 V491 I492 L495 K503 C505 S510 L511L468-I507 HydrophobicContact CD2-CD1 4.16Å; I471-I507 HydrophobicContact CD1-CD1 3.82Å; K488-I507 HydrophobicContact CB-CG2 4.13Å; K488-I507 HydrophobicContact CD-CG2 4.26Å; K488-I507 HydrophobicContact CG-CG2 4.13Å; V491-I507 HydrophobicContact CG1-CD1 4.29Å; I492-I507 HydrophobicContact CD1-CB 4.34Å; I492-I507 HydrophobicContact CD1-CG2 3.9Å; I492-I507 HydrophobicContact CG1-CB 4.08Å; I492-I507 HydrophobicContact CG1-CG2 3.91Å; L495-I507 HydrophobicContact CD1-CD1 3.76Å; K503-I507 WeakPolarHBondContact O-CG1 3.04Å; K503-I507 PolarHBondContact O-N 3.42Å; K503-I507 VanDerWaalsContact O-N 3.11Å; C505-I507 PolarHBondContact O-N 3.32Å; I507-S510 WeakPolarHBondContact O-CB 3.36Å; I507-S510 PolarHBondContact O-N 2.67Å; I507-S510 PolarHBondContact O-OG 3.33Å; I507-L511 PolarHBondContact O-N 3.16Å
508L85.7Confident77.8Confident0 Ų054.5 Ų54.50%030%0.303CS..Hα-helixtrans-65.8-42.4179.7-171.664.8000112F489 I492 A504 C505 S510 L511 V512 I533 L536 Y537 M540F489-L508 HydrophobicContact CE1-CD1 4.23Å; I492-L508 HydrophobicContact CD1-CB 3.97Å; I492-L508 HydrophobicContact CD1-CD1 3.9Å; A504-L508 VanDerWaalsContact O-CB 3.27Å; A504-L508 WeakPolarHBondContact O-CB 3.27Å; A504-L508 PolarHBondContact O-N 2.78Å; C505-L508 PolarHBondContact O-N 3.13Å; L508-S510 PolarHBondContact O-N 3.36Å; L508-L511 WeakPolarHBondContact O-CB 3.15Å; L508-L511 PolarHBondContact O-N 2.82Å; L508-V512 PolarHBondContact O-N 3.02Å; L508-I533 HydrophobicContact CD1-CB 4.31Å; L508-I533 HydrophobicContact CD1-CG1 4.06Å; L508-I533 HydrophobicContact CD1-CG2 4.03Å; L508-I533 HydrophobicContact CG-CG2 4.37Å; L508-L536 HydrophobicContact CD1-CB 4.44Å; L508-L536 HydrophobicContact CD1-CD1 4.25Å; L508-L536 HydrophobicContact CD2-CB 3.98Å; L508-Y537 HydrophobicContact CD2-CD1 3.59Å; L508-Y537 HydrophobicContact CD2-CD2 3.74Å; L508-Y537 HydrophobicContact CD2-CE1 3.49Å; L508-Y537 VanDerWaalsContact CD2-CE1 3.49Å; L508-Y537 HydrophobicContact CD2-CE2 3.65Å; L508-Y537 HydrophobicContact CD2-CG 3.7Å; L508-Y537 HydrophobicContact CG-CD2 4.48Å; L508-Y537 HydrophobicContact CG-CE1 4.08Å; L508-Y537 HydrophobicContact CG-CE2 3.93Å; L508-M540 HydrophobicContact CB-CE 4.34Å; L508-M540 HydrophobicContact CD2-CE 3.29Å; L508-M540 HydrophobicContact CG-CE 4.43Å
509D82.6Confident76.4Confident51 Ų5153.8 Ų53.827%0.27330%0.299SS..Hα-helixtrans-59.8-35.2175.8-71.5-17.5000110.5C505 L511 V512 Y537 K545C505-D509 VanDerWaalsContact O-CB 3.27Å; C505-D509 WeakPolarHBondContact O-CB 3.2Å; C505-D509 PolarHBondContact O-N 2.95Å; C505-D509 PolarHBondContact SG-OD2 3.43Å; D509-L511 PolarHBondContact O-N 2.8Å; D509-V512 PolarHBondContact O-N 3.31Å; D509-Y537 PolarHBondContact OD1-OH 2.83Å; D509-K545 IonicContact OD1-NZ 2.77Å; D509-K545 PolarHBondContact OD1-NZ 2.8Å; D509-K545 IonicContact OD2-NZ 2.69Å; D509-K545 PolarHBondContact OD2-NZ 2.77Å
510S82.7Confident75.4Confident54 Ų5451.3 Ų51.338%0.37828%0.282SS..Hα-helixtrans-65-23173.986.20000114.2E506 I507 L508 P514E506-S510 PolarHBondContact O-N 3.22Å; I507-S510 WeakPolarHBondContact O-CB 3.36Å; I507-S510 PolarHBondContact O-N 2.67Å; I507-S510 PolarHBondContact O-OG 3.33Å; L508-S510 PolarHBondContact O-N 3.36Å; S510-P514 VanDerWaalsContact O-CD 3.27Å; S510-P514 WeakPolarHBondContact O-CD 3.27Å
511L80.6Confident74.1Confident3 Ų353.5 Ų53.52%0.01630%0.299CS..Hα-helixtrans-87.3-26.1-179.9-69.7172.8000112.7E485 K488 F489 I492 I507 L508 D509 S515E485-L511 HydrophobicContact CG-CD2 4Å; K488-L511 HydrophobicContact CB-CD1 4.06Å; K488-L511 HydrophobicContact CD-CD1 4.46Å; K488-L511 HydrophobicContact CD-CD2 3.71Å; K488-L511 HydrophobicContact CD-CG 4.24Å; F489-L511 HydrophobicContact CD1-CD1 4.21Å; F489-L511 HydrophobicContact CE1-CD1 3.87Å; F489-L511 HydrophobicContact CE2-CD1 4.31Å; F489-L511 HydrophobicContact CZ-CD1 3.93Å; I492-L511 HydrophobicContact CD1-CD1 3.75Å; I507-L511 PolarHBondContact O-N 3.16Å; L508-L511 WeakPolarHBondContact O-CB 3.15Å; L508-L511 PolarHBondContact O-N 2.82Å; D509-L511 PolarHBondContact O-N 2.8Å; L511-S515 WeakPolarHBondContact O-CB 3.26Å; L511-S515 PolarHBondContact O-N 2.89Å; L511-S515 PolarHBondContact O-OG 2.69Å
512V74.7Confident72.7Confident25 Ų2559.5 Ų59.515%0.15233%0.328CS..Hα-helixtrans-62.1-49.7-176.1177.70000111.4L508 D509 S515 L516 I533 Y537L508-V512 PolarHBondContact O-N 3.02Å; D509-V512 PolarHBondContact O-N 3.31Å; V512-S515 WeakPolarHBondContact O-CB 3.28Å; V512-S515 PolarHBondContact O-N 3.29Å; V512-L516 HydrophobicContact CG1-CD1 3.55Å; V512-L516 WeakPolarHBondContact O-CD1 3.1Å; V512-L516 PolarHBondContact O-N 3.44Å; V512-L516 VanDerWaalsContact O-N 3.12Å; V512-I533 HydrophobicContact CG2-CG2 4.03Å; V512-Y537 HydrophobicContact CG2-CE2 3.99Å; V512-Y537 WeakPolarHBondContact CG2-OH 3.45Å
513G69.1Low71.5Confident46 Ų4653.1 Ų53.147%0.47431%0.309SS..Hα-helixtrans-55.9-57.2-177.600000113.8S515 L516 S517G513-S515 VanDerWaalsContact C-N 3.27Å; G513-S515 PolarHBondContact O-N 2.58Å; G513-L516 PolarHBondContact O-N 3.1Å; G513-S517 PolarHBondContact O-N 2.63Å
514P68.3Low70.2Confident62 Ų6253.5 Ų53.540%0.40332%0.32SS..Hα-helixtrans-60.3-34.3177.3-24.633.7000113.7S510 L516 S517 S518S510-P514 VanDerWaalsContact O-CD 3.27Å; S510-P514 WeakPolarHBondContact O-CD 3.27Å; P514-L516 PolarHBondContact O-N 2.79Å; P514-S517 PolarHBondContact O-OG 3.15Å; P514-S518 WeakPolarHBondContact O-CB 3.38Å; P514-S518 PolarHBondContact O-N 2.9Å; P514-S518 PolarHBondContact O-OG 2.81Å
515S64.9Low68.9Low0 Ų055.4 Ų55.40%033%0.332CS..Hα-helixtrans-60.9-38.2175.6-53.10000110.3L511 V512 G513 S518 F519 R529 Y530 I533L511-S515 WeakPolarHBondContact O-CB 3.26Å; L511-S515 PolarHBondContact O-N 2.89Å; L511-S515 PolarHBondContact O-OG 2.69Å; V512-S515 WeakPolarHBondContact O-CB 3.28Å; V512-S515 PolarHBondContact O-N 3.29Å; G513-S515 VanDerWaalsContact C-N 3.27Å; G513-S515 PolarHBondContact O-N 2.58Å; S515-S518 PolarHBondContact O-N 3.43Å; S515-S518 PolarHBondContact O-OG 2.75Å; S515-F519 PolarHBondContact O-N 3.11Å; S515-R529 PolarHBondContact OG-NE 3.04Å; S515-R529 PolarHBondContact OG-NH2 2.96Å; S515-Y530 VanDerWaalsContact CB-OH 3.28Å; S515-Y530 WeakPolarHBondContact CB-OH 3.46Å; S515-Y530 VanDerWaalsContact O-CE2 3.25Å; S515-Y530 WeakPolarHBondContact O-CE2 3.27Å; S515-Y530 PolarHBondContact O-OH 2.99Å; S515-I533 WeakPolarHBondContact OG-CD1 3.32Å
516L61.6Low68.1Low66 Ų6655.2 Ų55.235%0.34633%0.331SS..Hα-helixtrans-72.7-41.1-172.6-101.6106.9000110.3V512 G513 P514 S518 Y530 L552V512-L516 HydrophobicContact CG1-CD1 3.55Å; V512-L516 WeakPolarHBondContact O-CD1 3.1Å; V512-L516 PolarHBondContact O-N 3.44Å; V512-L516 VanDerWaalsContact O-N 3.12Å; G513-L516 PolarHBondContact O-N 3.1Å; P514-L516 PolarHBondContact O-N 2.79Å; L516-S518 VanDerWaalsContact C-N 3.29Å; L516-S518 PolarHBondContact O-N 3.26Å; L516-Y530 WeakPolarHBondContact CA-OH 3.47Å; L516-Y530 VanDerWaalsContact CB-OH 3.29Å; L516-Y530 WeakPolarHBondContact CB-OH 3.33Å; L516-Y530 HydrophobicContact CD1-CE1 4.25Å; L516-Y530 WeakPolarHBondContact CD1-OH 3.36Å; L516-Y530 WeakPolarHBondContact CG-OH 3.43Å; L516-Y530 PolarHBondContact N-OH 2.66Å; L516-L552 HydrophobicContact CD1-CD1 4.45Å; L516-L552 HydrophobicContact CD2-CB 4.32Å
517S63.7Low67.2Low104 Ų10451.8 Ų51.873%0.72732%0.316SS*.Hα-helixtrans-68.6-26.4176.854.80000114G513 P514G513-S517 PolarHBondContact O-N 2.63Å; P514-S517 PolarHBondContact O-OG 3.15Å
518S62.1Low66.6Low55 Ų5556.5 Ų56.539%0.38534%0.335SS..Hα-helixtrans-98.90.4-175.659.80000113.8P514 S515 L516 S520P514-S518 WeakPolarHBondContact O-CB 3.38Å; P514-S518 PolarHBondContact O-N 2.9Å; P514-S518 PolarHBondContact O-OG 2.81Å; S515-S518 PolarHBondContact O-N 3.43Å; S515-S518 PolarHBondContact O-OG 2.75Å; L516-S518 VanDerWaalsContact C-N 3.29Å; L516-S518 PolarHBondContact O-N 3.26Å; S518-S520 PolarHBondContact O-N 2.91Å
519F54.2Low66Low30 Ų3056.8 Ų56.813%0.13234%0.336CS..  trans-67.8118.6-179.6-168.2-92.1000110.8S515 T521 M527 Y530 L553 N557S515-F519 PolarHBondContact O-N 3.11Å; F519-T521 HydrophobicContact CE1-CG2 4.09Å; F519-M527 HydrophobicContact CE2-CB 4.33Å; F519-M527 HydrophobicContact CZ-CE 4.42Å; F519-Y530 HydrophobicContact CB-CE2 4.16Å; F519-Y530 AromaticContact CD2-CD2 3.51Å; F519-Y530 HydrophobicContact CD2-CD2 3.51Å; F519-Y530 AromaticContact CD2-CE2 3.68Å; F519-Y530 HydrophobicContact CD2-CE2 3.68Å; F519-Y530 HydrophobicContact CE2-CD2 4.01Å; F519-Y530 HydrophobicContact CG-CE2 4.31Å; F519-L553 HydrophobicContact CD2-CD1 3.84Å; F519-L553 HydrophobicContact CE1-CD1 4.21Å; F519-L553 HydrophobicContact CE2-CD1 3.38Å; F519-L553 HydrophobicContact CG-CD1 4.4Å; F519-L553 HydrophobicContact CZ-CD1 3.58Å; F519-N557 WeakPolarHBondContact CD1-ND2 3.39Å; F519-N557 HydrophobicContact CE1-CB 4.38Å; F519-N557 VanDerWaalsContact CE1-CG 3.45Å; F519-N557 WeakPolarHBondContact CE1-ND2 3.38Å
520S58.2Low65.7Low47 Ų4754.6 Ų54.633%0.32932%0.324SS..  trans-122.9130.8168.11710000108.1S518 E522 N523 S526S518-S520 PolarHBondContact O-N 2.91Å; S520-E522 PolarHBondContact O-N 2.75Å; S520-E522 PolarHBondContact OG-N 2.97Å; S520-N523 PolarHBondContact O-N 2.72Å; S520-S526 PolarHBondContact O-OG 2.65Å; S520-S526 VanDerWaalsContact O-OG 3.09Å
521T55.1Low65.6Low99 Ų9953.5 Ų53.561%0.60731%0.313SS*.THydrogen-bonded Turntrans-59.5-25.8174.645.10000112.2F519 N523 N557F519-T521 HydrophobicContact CE1-CG2 4.09Å; T521-N523 VanDerWaalsContact C-N 3.27Å; T521-N523 PolarHBondContact O-N 3.01Å; T521-N557 HydrophobicContact CG2-CB 4.49Å
522E52.6Low65.6Low179 Ų17953.6 Ų53.684%0.83631%0.313SS*.THydrogen-bonded Turntrans-74.1-16.7177.5-60.5-177170.900113S520 P524S520-E522 PolarHBondContact O-N 2.75Å; S520-E522 PolarHBondContact OG-N 2.97Å; E522-P524 VanDerWaalsContact O-CD 3.31Å; E522-P524 WeakPolarHBondContact O-CD 3.12Å
523N57.6Low66.1Low66 Ų6652.4 Ų52.435%0.35331%0.306SS..  trans-107.398.8-174.1-154.7-10000110.9S520 T521 C525 S526S520-N523 PolarHBondContact O-N 2.72Å; T521-N523 VanDerWaalsContact C-N 3.27Å; T521-N523 PolarHBondContact O-N 3.01Å; N523-C525 PolarHBondContact O-N 3.14Å; N523-S526 PolarHBondContact O-N 3.32Å; N523-S526 PolarHBondContact O-OG 2.8Å
524P58Low66.7Low88 Ų8850.2 Ų50.257%0.57128%0.284SS*.Hα-helixtrans-59.6-24-177.923.8-34.1000112.7E522 M527 K528E522-P524 VanDerWaalsContact O-CD 3.31Å; E522-P524 WeakPolarHBondContact O-CD 3.12Å; P524-M527 PolarHBondContact O-N 3.4Å; P524-K528 PolarHBondContact O-N 3.35Å
525C61.1Low67.5Low39 Ų3951.7 Ų51.726%0.26428%0.281SS..Hα-helixtrans-65.8-35176.4-68.90000113.2Y6 N523 M527 R529Y6-C525 VanDerWaalsContact CE2-O 3.29Å; Y6-C525 WeakPolarHBondContact CE2-O 3.25Å; N523-C525 PolarHBondContact O-N 3.14Å; C525-M527 VanDerWaalsContact C-N 3.29Å; C525-M527 PolarHBondContact O-N 3.16Å; C525-R529 WeakPolarHBondContact O-CB 3.24Å; C525-R529 PolarHBondContact O-N 3.3Å
526S66.5Low68.4Low8 Ų851.8 Ų51.86%0.05628%0.282CS..Hα-helixtrans-67.5-33.7176.637.90000111.4S520 N523 R529 Y530S520-S526 PolarHBondContact O-OG 2.65Å; S520-S526 VanDerWaalsContact O-OG 3.09Å; N523-S526 PolarHBondContact O-N 3.32Å; N523-S526 PolarHBondContact O-OG 2.8Å; S526-R529 WeakPolarHBondContact O-CB 3.4Å; S526-R529 PolarHBondContact O-N 2.95Å; S526-Y530 WeakPolarHBondContact O-CD2 3.29Å; S526-Y530 PolarHBondContact O-N 3.2Å; S526-Y530 VanDerWaalsContact O-N 3.12Å
527M67.2Low69.5Low42 Ų4249 Ų4921%0.20727%0.267CS..Hα-helixtrans-67.1-48.2175.5-174176.5-79.900112.2F519 P524 C525 R529 Y530 F531 L559 V562F519-M527 HydrophobicContact CE2-CB 4.33Å; F519-M527 HydrophobicContact CZ-CE 4.42Å; P524-M527 PolarHBondContact O-N 3.4Å; C525-M527 VanDerWaalsContact C-N 3.29Å; C525-M527 PolarHBondContact O-N 3.16Å; M527-R529 VanDerWaalsContact C-N 3.29Å; M527-R529 PolarHBondContact O-N 3.42Å; M527-Y530 WeakPolarHBondContact O-CB 3.34Å; M527-Y530 PolarHBondContact O-N 2.86Å; M527-F531 HydrophobicContact CG-CD2 3.66Å; M527-F531 HydrophobicContact CG-CE2 3.43Å; M527-F531 VanDerWaalsContact CG-CE2 3.43Å; M527-F531 WeakPolarHBondContact O-CD2 3.22Å; M527-F531 PolarHBondContact O-N 3.28Å; M527-F531 HydrophobicContact SD-CE2 3.95Å; M527-L559 HydrophobicContact CE-CD2 3.27Å; M527-V562 HydrophobicContact CE-CG2 3.76Å; M527-V562 HydrophobicContact SD-CG1 4.37Å; M527-V562 HydrophobicContact SD-CG2 3.93Å
528K71.3Confident70.3Confident123 Ų12348.6 Ų48.654%0.53525%0.252SS..Hα-helixtrans-57.5-41.2175.3-70.7-176.2179.9178.70112Y6 E95 P524 Y530 F531 T532Y6-K528 HydrophobicContact CD2-CB 4.3Å; E95-K528 IonicContact OE2-NZ 2.69Å; P524-K528 PolarHBondContact O-N 3.35Å; K528-Y530 VanDerWaalsContact C-N 3.32Å; K528-Y530 PolarHBondContact O-N 3.38Å; K528-F531 PolarHBondContact O-N 3.32Å; K528-T532 PolarHBondContact O-N 2.59Å; K528-T532 PolarHBondContact O-OG1 3.22Å
529R74.8Confident71.1Confident6 Ų649 Ų492%0.02325%0.247CC..Hα-helixtrans-55.7-46.4173.8-177.4-179.91631596.9111.8Y6 E485 F489 S515 C525 S526 M527 T532 I533Y6-R529 HydrophobicContact CD1-CB 4.23Å; Y6-R529 HydrophobicContact CD1-CG 4.13Å; Y6-R529 HydrophobicContact CD2-CB 3.98Å; Y6-R529 HydrophobicContact CE1-CB 3.87Å; Y6-R529 HydrophobicContact CE1-CG 3.72Å; Y6-R529 HydrophobicContact CE2-CB 3.62Å; Y6-R529 HydrophobicContact CE2-CG 4.4Å; Y6-R529 HydrophobicContact CG-CB 4.26Å; E485-R529 IonicContact OE1-CZ 2.68Å; E485-R529 IonicContact OE1-NH1 3.31Å; E485-R529 PolarHBondContact OE1-NH1 3.47Å; E485-R529 IonicContact OE1-NH2 2.76Å; E485-R529 PolarHBondContact OE1-NH2 3.04Å; E485-R529 IonicContact OE2-CZ 2.69Å; E485-R529 IonicContact OE2-NE 3.99Å; E485-R529 IonicContact OE2-NH1 2.61Å; E485-R529 PolarHBondContact OE2-NH1 3.14Å; E485-R529 IonicContact OE2-NH2 2.99Å; F489-R529 HydrophobicContact CE2-CG 4.31Å; F489-R529 HydrophobicContact CZ-CG 4.23Å; S515-R529 PolarHBondContact OG-NE 3.04Å; S515-R529 PolarHBondContact OG-NH2 2.96Å; C525-R529 WeakPolarHBondContact O-CB 3.24Å; C525-R529 PolarHBondContact O-N 3.3Å; S526-R529 WeakPolarHBondContact O-CB 3.4Å; S526-R529 PolarHBondContact O-N 2.95Å; M527-R529 VanDerWaalsContact C-N 3.29Å; M527-R529 PolarHBondContact O-N 3.42Å; R529-T532 WeakPolarHBondContact O-CB 2.97Å; R529-T532 PolarHBondContact O-N 3.46Å; R529-I533 WeakPolarHBondContact O-CG1 3.36Å; R529-I533 PolarHBondContact O-N 3.29Å; R529-I533 VanDerWaalsContact O-N 3.16Å
530Y76.5Confident72.3Confident4 Ų447.7 Ų47.72%0.01624%0.241CC..Hα-helixtrans-66.4-47.5-179.7-101.2-72.8000114.1S515 L516 F519 S526 M527 K528 T532 I533 V534 L553S515-Y530 VanDerWaalsContact CB-OH 3.28Å; S515-Y530 WeakPolarHBondContact CB-OH 3.46Å; S515-Y530 VanDerWaalsContact O-CE2 3.25Å; S515-Y530 WeakPolarHBondContact O-CE2 3.27Å; S515-Y530 PolarHBondContact O-OH 2.99Å; L516-Y530 WeakPolarHBondContact CA-OH 3.47Å; L516-Y530 VanDerWaalsContact CB-OH 3.29Å; L516-Y530 WeakPolarHBondContact CB-OH 3.33Å; L516-Y530 HydrophobicContact CD1-CE1 4.25Å; L516-Y530 WeakPolarHBondContact CD1-OH 3.36Å; L516-Y530 WeakPolarHBondContact CG-OH 3.43Å; L516-Y530 PolarHBondContact N-OH 2.66Å; F519-Y530 HydrophobicContact CB-CE2 4.16Å; F519-Y530 AromaticContact CD2-CD2 3.51Å; F519-Y530 HydrophobicContact CD2-CD2 3.51Å; F519-Y530 AromaticContact CD2-CE2 3.68Å; F519-Y530 HydrophobicContact CD2-CE2 3.68Å; F519-Y530 HydrophobicContact CE2-CD2 4.01Å; F519-Y530 HydrophobicContact CG-CE2 4.31Å; S526-Y530 WeakPolarHBondContact O-CD2 3.29Å; S526-Y530 PolarHBondContact O-N 3.2Å; S526-Y530 VanDerWaalsContact O-N 3.12Å; M527-Y530 WeakPolarHBondContact O-CB 3.34Å; M527-Y530 PolarHBondContact O-N 2.86Å; K528-Y530 VanDerWaalsContact C-N 3.32Å; K528-Y530 PolarHBondContact O-N 3.38Å; Y530-T532 PolarHBondContact O-N 3.09Å; Y530-I533 WeakPolarHBondContact O-CB 3.35Å; Y530-I533 PolarHBondContact O-N 2.81Å; Y530-V534 WeakPolarHBondContact O-CG2 3.45Å; Y530-V534 PolarHBondContact O-N 3.05Å; Y530-L553 HydrophobicContact CD1-CD1 4.44Å; Y530-L553 HydrophobicContact CD2-CD1 4.21Å; Y530-L553 HydrophobicContact CG-CD1 4.07Å
531F79.5Confident73.2Confident32 Ų3247.2 Ų47.214%0.1424%0.235CC..Hα-helixtrans-60.5-36176-79.9-67.1000111.4M527 K528 I533 V534 R535 L550 V562M527-F531 HydrophobicContact CG-CD2 3.66Å; M527-F531 HydrophobicContact CG-CE2 3.43Å; M527-F531 VanDerWaalsContact CG-CE2 3.43Å; M527-F531 WeakPolarHBondContact O-CD2 3.22Å; M527-F531 PolarHBondContact O-N 3.28Å; M527-F531 HydrophobicContact SD-CE2 3.95Å; K528-F531 PolarHBondContact O-N 3.32Å; F531-I533 VanDerWaalsContact C-N 3.34Å; F531-I533 PolarHBondContact O-N 2.87Å; F531-V534 PolarHBondContact O-N 3.21Å; F531-R535 WeakPolarHBondContact O-CB 3.14Å; F531-R535 VanDerWaalsContact O-CG 3.28Å; F531-R535 WeakPolarHBondContact O-CG 3.34Å; F531-R535 PolarHBondContact O-N 2.76Å; F531-L550 HydrophobicContact CE1-CD1 4.31Å; F531-V562 HydrophobicContact CE2-CG1 4.42Å; F531-V562 HydrophobicContact CZ-CG1 4.27Å
532T81.6Confident74.4Confident4 Ų446.2 Ų46.23%0.02522%0.222CC..Hα-helixtrans-60.2-43.3173.3-52.70000111.5Y6 F489 K528 R529 Y530 R535 L536Y6-T532 WeakPolarHBondContact CB-OG1 3.31Å; Y6-T532 WeakPolarHBondContact O-CG2 3.44Å; F489-T532 HydrophobicContact CD1-CG2 4.07Å; F489-T532 HydrophobicContact CE1-CG2 4.19Å; K528-T532 PolarHBondContact O-N 2.59Å; K528-T532 PolarHBondContact O-OG1 3.22Å; R529-T532 WeakPolarHBondContact O-CB 2.97Å; R529-T532 PolarHBondContact O-N 3.46Å; Y530-T532 PolarHBondContact O-N 3.09Å; T532-R535 PolarHBondContact O-N 2.55Å; T532-L536 HydrophobicContact CG2-CD1 4.06Å; T532-L536 WeakPolarHBondContact O-CB 2.88Å; T532-L536 VanDerWaalsContact O-CG 3.23Å; T532-L536 WeakPolarHBondContact O-CG 3.26Å; T532-L536 PolarHBondContact O-N 2.8Å
533I84Confident75.5Confident0 Ų040.7 Ų40.70%020%0.199CC..Hα-helixtrans-61.5-47.3175.6-67.8168.4000111.1F489 L508 V512 S515 R529 Y530 F531 R535 L536 Y537F489-I533 HydrophobicContact CE1-CG1 3.66Å; F489-I533 HydrophobicContact CZ-CD1 4.22Å; F489-I533 HydrophobicContact CZ-CG1 3.72Å; L508-I533 HydrophobicContact CD1-CB 4.31Å; L508-I533 HydrophobicContact CD1-CG1 4.06Å; L508-I533 HydrophobicContact CD1-CG2 4.03Å; L508-I533 HydrophobicContact CG-CG2 4.37Å; V512-I533 HydrophobicContact CG2-CG2 4.03Å; S515-I533 WeakPolarHBondContact OG-CD1 3.32Å; R529-I533 WeakPolarHBondContact O-CG1 3.36Å; R529-I533 PolarHBondContact O-N 3.29Å; R529-I533 VanDerWaalsContact O-N 3.16Å; Y530-I533 WeakPolarHBondContact O-CB 3.35Å; Y530-I533 PolarHBondContact O-N 2.81Å; F531-I533 VanDerWaalsContact C-N 3.34Å; F531-I533 PolarHBondContact O-N 2.87Å; I533-R535 PolarHBondContact O-N 2.75Å; I533-L536 PolarHBondContact O-N 2.99Å; I533-Y537 HydrophobicContact CG2-CD2 3.83Å; I533-Y537 HydrophobicContact CG2-CE2 3.55Å; I533-Y537 WeakPolarHBondContact O-CD2 3.33Å; I533-Y537 PolarHBondContact O-N 3.12Å
534V81.7Confident76.1Confident1 Ų143.5 Ų43.51%0.00620%0.204CC..Hα-helixtrans-60.2-46.2179.3174.90000110.6Y530 F531 L536 Y537 K538 A546 A549 L550 I568Y530-V534 WeakPolarHBondContact O-CG2 3.45Å; Y530-V534 PolarHBondContact O-N 3.05Å; F531-V534 PolarHBondContact O-N 3.21Å; V534-L536 PolarHBondContact O-N 3.02Å; V534-Y537 PolarHBondContact O-N 3.2Å; V534-K538 PolarHBondContact O-N 2.83Å; V534-A546 HydrophobicContact CG1-CB 4.25Å; V534-A549 HydrophobicContact CG2-CB 4.2Å; V534-L550 HydrophobicContact CG1-CB 4.43Å; V534-L550 HydrophobicContact CG2-CB 4.29Å; V534-I568 HydrophobicContact CG1-CD1 4.48Å; V534-I568 HydrophobicContact CG1-CG2 4.28Å
535R84.4Confident77Confident93 Ų9341.6 Ų41.635%0.35119%0.187SC..Hα-helixtrans-60.8-41.2176.6-73.1175178.8-178.5-4.3112.1E7 F531 T532 I533 K538 F539 E565E7-R535 IonicContact OE1-NH1 2.74Å; E7-R535 PolarHBondContact OE1-NH1 2.98Å; F531-R535 WeakPolarHBondContact O-CB 3.14Å; F531-R535 VanDerWaalsContact O-CG 3.28Å; F531-R535 WeakPolarHBondContact O-CG 3.34Å; F531-R535 PolarHBondContact O-N 2.76Å; T532-R535 PolarHBondContact O-N 2.55Å; I533-R535 PolarHBondContact O-N 2.75Å; R535-K538 WeakPolarHBondContact O-CB 3.34Å; R535-K538 PolarHBondContact O-N 2.87Å; R535-F539 HydrophobicContact CB-CE2 4.26Å; R535-F539 WeakPolarHBondContact O-CD2 3.42Å; R535-F539 WeakPolarHBondContact O-CG 3.44Å; R535-F539 PolarHBondContact O-N 3.24Å; R535-E565 IonicContact NE-OE1 3.49Å; R535-E565 IonicContact NH2-OE1 3.94Å; R535-E565 PolarHBondContact NH2-OE1 3.31Å
536L85.4Confident77.9Confident2 Ų239.7 Ų39.71%0.0117%0.174CC..Hα-helixtrans-68-36177.6-69.8169.2000113F489 I492 R493 I496 L508 T532 I533 V534 K538 F539 M540F489-L536 HydrophobicContact CD1-CD1 3.46Å; F489-L536 VanDerWaalsContact CD1-CD1 3.46Å; F489-L536 HydrophobicContact CE1-CD1 3.95Å; I492-L536 HydrophobicContact CG2-CD1 4.04Å; I492-L536 HydrophobicContact CG2-CD2 4.26Å; R493-L536 HydrophobicContact CG-CD2 3.65Å; I496-L536 HydrophobicContact CD1-CD2 3.81Å; L508-L536 HydrophobicContact CD1-CB 4.44Å; L508-L536 HydrophobicContact CD1-CD1 4.25Å; L508-L536 HydrophobicContact CD2-CB 3.98Å; T532-L536 HydrophobicContact CG2-CD1 4.06Å; T532-L536 WeakPolarHBondContact O-CB 2.88Å; T532-L536 VanDerWaalsContact O-CG 3.23Å; T532-L536 WeakPolarHBondContact O-CG 3.26Å; T532-L536 PolarHBondContact O-N 2.8Å; I533-L536 PolarHBondContact O-N 2.99Å; V534-L536 PolarHBondContact O-N 3.02Å; L536-K538 VanDerWaalsContact C-N 3.33Å; L536-F539 HydrophobicContact CD2-CD2 4.4Å; L536-F539 PolarHBondContact O-N 2.85Å; L536-M540 HydrophobicContact CB-CE 4.49Å; L536-M540 WeakPolarHBondContact O-CE 3.29Å; L536-M540 WeakPolarHBondContact O-CG 3.39Å; L536-M540 PolarHBondContact O-N 3.47Å; L536-M540 VanDerWaalsContact O-N 3.09Å
537Y83.6Confident78.3Confident7 Ų739.3 Ų39.33%0.02717%0.172CC..Hα-helixtrans-65.5-38170.4-79-59.9000112.2L508 D509 V512 I533 V534 M540 N541 F542 K545L508-Y537 HydrophobicContact CD2-CD1 3.59Å; L508-Y537 HydrophobicContact CD2-CD2 3.74Å; L508-Y537 HydrophobicContact CD2-CE1 3.49Å; L508-Y537 VanDerWaalsContact CD2-CE1 3.49Å; L508-Y537 HydrophobicContact CD2-CE2 3.65Å; L508-Y537 HydrophobicContact CD2-CG 3.7Å; L508-Y537 HydrophobicContact CG-CD2 4.48Å; L508-Y537 HydrophobicContact CG-CE1 4.08Å; L508-Y537 HydrophobicContact CG-CE2 3.93Å; D509-Y537 PolarHBondContact OD1-OH 2.83Å; V512-Y537 HydrophobicContact CG2-CE2 3.99Å; V512-Y537 WeakPolarHBondContact CG2-OH 3.45Å; I533-Y537 HydrophobicContact CG2-CD2 3.83Å; I533-Y537 HydrophobicContact CG2-CE2 3.55Å; I533-Y537 WeakPolarHBondContact O-CD2 3.33Å; I533-Y537 PolarHBondContact O-N 3.12Å; V534-Y537 PolarHBondContact O-N 3.2Å; Y537-M540 HydrophobicContact CD1-CE 4.42Å; Y537-M540 PolarHBondContact O-N 2.81Å; Y537-N541 PolarHBondContact O-N 3.14Å; Y537-F542 HydrophobicContact CD1-CB 4.32Å; Y537-F542 HydrophobicContact CD1-CD2 4.36Å; Y537-F542 PolarHBondContact O-N 2.81Å; Y537-K545 HydrophobicContact CD1-CB 3.75Å; Y537-K545 HydrophobicContact CD1-CD 3.88Å; Y537-K545 HydrophobicContact CD1-CG 4.48Å; Y537-K545 HydrophobicContact CD2-CB 4.47Å; Y537-K545 HydrophobicContact CE1-CB 4.03Å; Y537-K545 HydrophobicContact CE1-CD 3.5Å; Y537-K545 HydrophobicContact CE1-CG 4.43Å; Y537-K545 HydrophobicContact CG-CB 4Å
538K80.4Confident78.7Confident96 Ų9640.4 Ų40.442%0.41718%0.178SC..Hα-helixtrans-63-46.7174-175.1178.6176.8-178.70111V534 R535 L536 M540 N541 I568V534-K538 PolarHBondContact O-N 2.83Å; R535-K538 WeakPolarHBondContact O-CB 3.34Å; R535-K538 PolarHBondContact O-N 2.87Å; L536-K538 VanDerWaalsContact C-N 3.33Å; K538-M540 PolarHBondContact O-N 2.69Å; K538-N541 WeakPolarHBondContact O-CA 3.41Å; K538-N541 PolarHBondContact O-N 3.2Å; K538-N541 PolarHBondContact O-OD1 3.08Å; K538-N541 VanDerWaalsContact O-OD1 3.14Å; K538-I568 HydrophobicContact CD-CD1 3.86Å; K538-I568 HydrophobicContact CD-CG1 4.2Å
539F79.9Confident78.9Confident64 Ų6434.9 Ų34.928%0.28116%0.155SC..Hα-helixtrans-63.2-23.8176-68.8-45.9000113.8R535 L536 N541 F1118R535-F539 HydrophobicContact CB-CE2 4.26Å; R535-F539 WeakPolarHBondContact O-CD2 3.42Å; R535-F539 WeakPolarHBondContact O-CG 3.44Å; R535-F539 PolarHBondContact O-N 3.24Å; L536-F539 HydrophobicContact CD2-CD2 4.4Å; L536-F539 PolarHBondContact O-N 2.85Å; F539-N541 VanDerWaalsContact C-N 3.29Å; F539-F1118 HydrophobicContact CD1-CB 3.75Å; F539-F1118 HydrophobicContact CE1-CB 3.95Å
540M79.7Confident79.1Confident1 Ų134.6 Ų34.61%0.00515%0.154CC..THydrogen-bonded Turntrans-81.5-6.7170.4-74.8-174.1-96.500113.7I492 I496 K501 A504 C505 L508 L536 Y537 K538 F542I492-M540 HydrophobicContact CG2-CE 4.29Å; I496-M540 HydrophobicContact CD1-CE 4.11Å; I496-M540 HydrophobicContact CD1-CG 3.8Å; I496-M540 HydrophobicContact CD1-SD 4.37Å; I496-M540 HydrophobicContact CG1-CG 3.67Å; I496-M540 HydrophobicContact CG1-SD 4.19Å; K501-M540 PolarHBondContact NZ-O 3.32Å; A504-M540 HydrophobicContact CB-CE 4.42Å; A504-M540 HydrophobicContact CB-SD 3.77Å; C505-M540 HydrophobicContact CB-SD 4.43Å; L508-M540 HydrophobicContact CB-CE 4.34Å; L508-M540 HydrophobicContact CD2-CE 3.29Å; L508-M540 HydrophobicContact CG-CE 4.43Å; L536-M540 HydrophobicContact CB-CE 4.49Å; L536-M540 WeakPolarHBondContact O-CE 3.29Å; L536-M540 WeakPolarHBondContact O-CG 3.39Å; L536-M540 PolarHBondContact O-N 3.47Å; L536-M540 VanDerWaalsContact O-N 3.09Å; Y537-M540 HydrophobicContact CD1-CE 4.42Å; Y537-M540 PolarHBondContact O-N 2.81Å; K538-M540 PolarHBondContact O-N 2.69Å; M540-F542 VanDerWaalsContact C-N 3.27Å; M540-F542 HydrophobicContact CB-CD2 3.92Å; M540-F542 HydrophobicContact CB-CE2 4.24Å; M540-F542 HydrophobicContact CB-CG 4.3Å; M540-F542 HydrophobicContact SD-CD2 4.47Å; M540-F542 HydrophobicContact SD-CE2 4.36Å
541N76.4Confident79Confident38 Ų3835.6 Ų35.620%0.20316%0.157CC..THydrogen-bonded Turntrans67.322.3-172-50.6-24.6000114Y537 K538 F539 N543 D1119 D1120Y537-N541 PolarHBondContact O-N 3.14Å; K538-N541 WeakPolarHBondContact O-CA 3.41Å; K538-N541 PolarHBondContact O-N 3.2Å; K538-N541 PolarHBondContact O-OD1 3.08Å; K538-N541 VanDerWaalsContact O-OD1 3.14Å; F539-N541 VanDerWaalsContact C-N 3.29Å; N541-N543 PolarHBondContact O-N 3.34Å; N541-N543 VanDerWaalsContact O-N 3.12Å; N541-D1119 PolarHBondContact ND2-O 2.76Å; N541-D1119 PolarHBondContact OD1-O 3.48Å; N541-D1119 VanDerWaalsContact OD1-O 3.08Å; N541-D1120 PolarHBondContact ND2-OD1 2.88Å; N541-D1120 PolarHBondContact OD1-OD1 2.78Å
542F79.7Confident78.7Confident78 Ų7836.9 Ų36.934%0.34217%0.166SC..  trans-8859.8172.2-62.8-26.3000110.7C505 Y537 M540 R544 K545 A546C505-F542 HydrophobicContact CB-CE2 4.04Å; Y537-F542 HydrophobicContact CD1-CB 4.32Å; Y537-F542 HydrophobicContact CD1-CD2 4.36Å; Y537-F542 PolarHBondContact O-N 2.81Å; M540-F542 VanDerWaalsContact C-N 3.27Å; M540-F542 HydrophobicContact CB-CD2 3.92Å; M540-F542 HydrophobicContact CB-CE2 4.24Å; M540-F542 HydrophobicContact CB-CG 4.3Å; M540-F542 HydrophobicContact SD-CD2 4.47Å; M540-F542 HydrophobicContact SD-CE2 4.36Å; F542-R544 PolarHBondContact O-N 2.8Å; F542-R544 VanDerWaalsContact O-N 3.13Å; F542-K545 HydrophobicContact CB-CB 4.08Å; F542-K545 HydrophobicContact CB-CD 4.42Å; F542-K545 HydrophobicContact CB-CG 4.34Å; F542-K545 HydrophobicContact CD2-CD 4.41Å; F542-K545 WeakPolarHBondContact O-CA 3.25Å; F542-K545 PolarHBondContact O-N 2.89Å; F542-A546 PolarHBondContact O-N 2.78Å
543N75.7Confident78.2Confident63 Ų6336.9 Ų36.934%0.33717%0.165SC..Hα-helixtrans-54.6-35.6-176.1-67.6-25.2000113.1N541 A546 S547N541-N543 PolarHBondContact O-N 3.34Å; N541-N543 VanDerWaalsContact O-N 3.12Å; N543-A546 PolarHBondContact O-N 2.81Å; N543-S547 WeakPolarHBondContact O-CB 3.25Å; N543-S547 PolarHBondContact O-N 2.86Å; N543-S547 PolarHBondContact O-OG 2.89Å
544R71.5Confident77.5Confident124 Ų12437.4 Ų37.447%0.46817%0.168SC..Hα-helixtrans-67.7-36.6175.2-69.8-176.8179.3178.1-0.6113.5F542 S547 L548 W713F542-R544 PolarHBondContact O-N 2.8Å; F542-R544 VanDerWaalsContact O-N 3.13Å; R544-S547 WeakPolarHBondContact CA-OG 3.23Å; R544-S547 PolarHBondContact O-OG 2.76Å; R544-L548 VanDerWaalsContact O-CB 3.27Å; R544-L548 WeakPolarHBondContact O-CB 3.49Å; R544-L548 PolarHBondContact O-N 2.83Å; R544-W713 HydrophobicContact CB-CH2 3.96Å; R544-W713 HydrophobicContact CB-CZ2 4.08Å; R544-W713 HydrophobicContact CG-CH2 4.03Å; R544-W713 HydrophobicContact CG-CZ2 4.31Å
545K76.8Confident76.8Confident48 Ų4840.9 Ų40.921%0.20919%0.192CC..Hα-helixtrans-71.8-40.9174.5-74.3-166172.9-164.30110.3C505 D509 Y537 F542 L548 A549 F645C505-K545 PolarHBondContact SG-NZ 2.95Å; D509-K545 IonicContact OD1-NZ 2.77Å; D509-K545 PolarHBondContact OD1-NZ 2.8Å; D509-K545 IonicContact OD2-NZ 2.69Å; D509-K545 PolarHBondContact OD2-NZ 2.77Å; Y537-K545 HydrophobicContact CD1-CB 3.75Å; Y537-K545 HydrophobicContact CD1-CD 3.88Å; Y537-K545 HydrophobicContact CD1-CG 4.48Å; Y537-K545 HydrophobicContact CD2-CB 4.47Å; Y537-K545 HydrophobicContact CE1-CB 4.03Å; Y537-K545 HydrophobicContact CE1-CD 3.5Å; Y537-K545 HydrophobicContact CE1-CG 4.43Å; Y537-K545 HydrophobicContact CG-CB 4Å; F542-K545 HydrophobicContact CB-CB 4.08Å; F542-K545 HydrophobicContact CB-CD 4.42Å; F542-K545 HydrophobicContact CB-CG 4.34Å; F542-K545 HydrophobicContact CD2-CD 4.41Å; F542-K545 WeakPolarHBondContact O-CA 3.25Å; F542-K545 PolarHBondContact O-N 2.89Å; K545-L548 PolarHBondContact O-N 2.71Å; K545-A549 WeakPolarHBondContact O-CB 3.43Å; K545-A549 PolarHBondContact O-N 2.87Å; K545-F645 HydrophobicContact CD-CZ 4.34Å; K545-F645 VanDerWaalsContact CE-CZ 3.44Å
546A79.7Confident75.9Confident0 Ų039.8 Ų39.80%020%0.199CC..Hα-helixtrans-58.6-49.4175.100000111.2V534 F542 N543 L548 A549 L550 I568V534-A546 HydrophobicContact CG1-CB 4.25Å; F542-A546 PolarHBondContact O-N 2.78Å; N543-A546 PolarHBondContact O-N 2.81Å; A546-L548 PolarHBondContact O-N 3.22Å; A546-A549 PolarHBondContact O-N 3.38Å; A546-L550 VanDerWaalsContact O-CB 3.27Å; A546-L550 WeakPolarHBondContact O-CB 3.39Å; A546-L550 PolarHBondContact O-N 3.21Å; A546-I568 HydrophobicContact CB-CG2 4.08Å
547S74.9Confident74.5Confident0 Ų041.1 Ų41.10%021%0.206CC..Hα-helixtrans-64.9-38.417865.10000112.5N543 R544 L550 W551 L569N543-S547 WeakPolarHBondContact O-CB 3.25Å; N543-S547 PolarHBondContact O-N 2.86Å; N543-S547 PolarHBondContact O-OG 2.89Å; R544-S547 WeakPolarHBondContact CA-OG 3.23Å; R544-S547 PolarHBondContact O-OG 2.76Å; S547-L550 PolarHBondContact O-N 3.44Å; S547-W551 WeakPolarHBondContact O-CB 3.26Å; S547-W551 PolarHBondContact O-N 3.45Å; S547-L569 WeakPolarHBondContact O-CD1 3.49Å
548L75.6Confident73Confident65 Ų6551.8 Ų51.834%0.3425%0.246SC..Hα-helixtrans-68.1-42177-176.8138.9000112.1R544 K545 A546 L550 W551 L552R544-L548 VanDerWaalsContact O-CB 3.27Å; R544-L548 WeakPolarHBondContact O-CB 3.49Å; R544-L548 PolarHBondContact O-N 2.83Å; K545-L548 PolarHBondContact O-N 2.71Å; A546-L548 PolarHBondContact O-N 3.22Å; L548-L550 VanDerWaalsContact C-N 3.32Å; L548-L550 PolarHBondContact O-N 3.47Å; L548-W551 PolarHBondContact O-N 3.34Å; L548-L552 HydrophobicContact CD2-CD1 3.72Å; L548-L552 HydrophobicContact CD2-CG 4.34Å; L548-L552 WeakPolarHBondContact O-CG 3.43Å; L548-L552 PolarHBondContact O-N 3.42Å
549A76Confident71.7Confident6 Ų648.4 Ų48.45%0.0523%0.233CC..Hα-helixtrans-62.5-41.2174.500000111.5V534 K545 A546 L552 L553V534-A549 HydrophobicContact CG2-CB 4.2Å; K545-A549 WeakPolarHBondContact O-CB 3.43Å; K545-A549 PolarHBondContact O-N 2.87Å; A546-A549 PolarHBondContact O-N 3.38Å; A549-L552 PolarHBondContact O-N 2.97Å; A549-L553 PolarHBondContact O-N 3.15Å
550L77.9Confident70.3Confident0 Ų051.6 Ų51.60%025%0.253CS..Hα-helixtrans-65.6-40.3175.3-173.161.8000111.7F531 V534 A546 S547 L548 L553 L554 F564 I568 L569F531-L550 HydrophobicContact CE1-CD1 4.31Å; V534-L550 HydrophobicContact CG1-CB 4.43Å; V534-L550 HydrophobicContact CG2-CB 4.29Å; A546-L550 VanDerWaalsContact O-CB 3.27Å; A546-L550 WeakPolarHBondContact O-CB 3.39Å; A546-L550 PolarHBondContact O-N 3.21Å; S547-L550 PolarHBondContact O-N 3.44Å; L548-L550 VanDerWaalsContact C-N 3.32Å; L548-L550 PolarHBondContact O-N 3.47Å; L550-L553 WeakPolarHBondContact O-CB 3.28Å; L550-L553 PolarHBondContact O-N 3.31Å; L550-L554 PolarHBondContact O-N 3.45Å; L550-L554 VanDerWaalsContact O-N 3.11Å; L550-F564 HydrophobicContact CD1-CD1 4.42Å; L550-F564 HydrophobicContact CD1-CD2 4.47Å; L550-F564 HydrophobicContact CD1-CE1 3.65Å; L550-F564 HydrophobicContact CD1-CE2 3.71Å; L550-F564 HydrophobicContact CD1-CZ 3.24Å; L550-F564 HydrophobicContact CD2-CD1 4.32Å; L550-F564 HydrophobicContact CD2-CE1 3.66Å; L550-F564 HydrophobicContact CD2-CZ 4.12Å; L550-F564 HydrophobicContact CG-CD1 4.4Å; L550-F564 HydrophobicContact CG-CE1 3.4Å; L550-F564 VanDerWaalsContact CG-CE1 3.4Å; L550-F564 HydrophobicContact CG-CE2 4.31Å; L550-F564 HydrophobicContact CG-CZ 3.34Å; L550-I568 HydrophobicContact CD2-CB 4.23Å; L550-I568 HydrophobicContact CD2-CG2 4.44Å; L550-L569 HydrophobicContact CD2-CB 3.94Å
551W75.7Confident68.5Low25 Ų2563 Ų6310%0.09530%0.296CS..Hα-helixtrans-66.5-38.6174.3-177.8-99.8000113.2S547 L548 L553 L554 S555 L569 L716 K719 V720S547-W551 WeakPolarHBondContact O-CB 3.26Å; S547-W551 PolarHBondContact O-N 3.45Å; L548-W551 PolarHBondContact O-N 3.34Å; W551-L553 VanDerWaalsContact C-N 3.25Å; W551-L553 PolarHBondContact O-N 3.2Å; W551-L554 HydrophobicContact CE3-CD2 3.76Å; W551-L554 HydrophobicContact CH2-CD2 4.29Å; W551-L554 HydrophobicContact CZ3-CD2 3.46Å; W551-L554 VanDerWaalsContact CZ3-CD2 3.46Å; W551-L554 PolarHBondContact O-N 3.5Å; W551-S555 WeakPolarHBondContact O-CB 3.47Å; W551-S555 PolarHBondContact O-N 2.71Å; W551-S555 PolarHBondContact O-OG 2.98Å; W551-L569 HydrophobicContact CB-CD1 3.98Å; W551-L569 HydrophobicContact CE3-CD1 4.22Å; W551-L569 HydrophobicContact CE3-CD2 4.16Å; W551-L716 HydrophobicContact CD2-CG 4.39Å; W551-L716 HydrophobicContact CG-CD1 3.91Å; W551-L716 HydrophobicContact CG-CD2 4.41Å; W551-L716 HydrophobicContact CG-CG 4.18Å; W551-K719 HydrophobicContact CH2-CB 4.11Å; W551-K719 HydrophobicContact CZ2-CB 3.64Å; W551-V720 HydrophobicContact CD2-CG2 3.83Å; W551-V720 HydrophobicContact CE3-CB 4.23Å; W551-V720 HydrophobicContact CE3-CG2 3.25Å; W551-V720 HydrophobicContact CH2-CB 4.03Å; W551-V720 HydrophobicContact CH2-CG2 3.6Å; W551-V720 HydrophobicContact CZ2-CG2 4.14Å; W551-V720 VanDerWaalsContact CZ3-CA 3.44Å; W551-V720 HydrophobicContact CZ3-CB 3.64Å; W551-V720 HydrophobicContact CZ3-CG1 3.99Å; W551-V720 HydrophobicContact CZ3-CG2 3.11Å
552L73Confident67Low60 Ų6063.7 Ų63.731%0.31430%0.301SS..Hα-helixtrans-61.7-36.4174.7-76.9172.8000111.6L516 L548 A549 S555 S556L516-L552 HydrophobicContact CD1-CD1 4.45Å; L516-L552 HydrophobicContact CD2-CB 4.32Å; L548-L552 HydrophobicContact CD2-CD1 3.72Å; L548-L552 HydrophobicContact CD2-CG 4.34Å; L548-L552 WeakPolarHBondContact O-CG 3.43Å; L548-L552 PolarHBondContact O-N 3.42Å; A549-L552 PolarHBondContact O-N 2.97Å; L552-S555 WeakPolarHBondContact CA-OG 3.39Å; L552-S555 PolarHBondContact O-OG 3.45Å; L552-S556 WeakPolarHBondContact O-CB 3.37Å; L552-S556 PolarHBondContact O-N 3.14Å; L552-S556 PolarHBondContact O-OG 3.43Å
553L70.5Confident65.5Low3 Ų369.2 Ų69.22%0.01633%0.328CS..Hα-helixtrans-65.1-43.6173.5-17670.7000112.1F519 Y530 A549 L550 W551 S556 N557 L559F519-L553 HydrophobicContact CD2-CD1 3.84Å; F519-L553 HydrophobicContact CE1-CD1 4.21Å; F519-L553 HydrophobicContact CE2-CD1 3.38Å; F519-L553 HydrophobicContact CG-CD1 4.4Å; F519-L553 HydrophobicContact CZ-CD1 3.58Å; Y530-L553 HydrophobicContact CD1-CD1 4.44Å; Y530-L553 HydrophobicContact CD2-CD1 4.21Å; Y530-L553 HydrophobicContact CG-CD1 4.07Å; A549-L553 PolarHBondContact O-N 3.15Å; L550-L553 WeakPolarHBondContact O-CB 3.28Å; L550-L553 PolarHBondContact O-N 3.31Å; W551-L553 VanDerWaalsContact C-N 3.25Å; W551-L553 PolarHBondContact O-N 3.2Å; L553-S556 PolarHBondContact O-OG 2.7Å; L553-S556 VanDerWaalsContact O-OG 3.1Å; L553-N557 PolarHBondContact O-N 3.08Å; L553-N557 PolarHBondContact O-ND2 2.86Å; L553-L559 HydrophobicContact CG-CD1 4.05Å
554L69.9Low64.4Low12 Ų1267.2 Ų67.26%0.06332%0.317CS..Hα-helixtrans-69.5-44.1179.5-166.181000112.4L550 W551 S556 N557 F564 Y723L550-L554 PolarHBondContact O-N 3.45Å; L550-L554 VanDerWaalsContact O-N 3.11Å; W551-L554 HydrophobicContact CE3-CD2 3.76Å; W551-L554 HydrophobicContact CH2-CD2 4.29Å; W551-L554 HydrophobicContact CZ3-CD2 3.46Å; W551-L554 VanDerWaalsContact CZ3-CD2 3.46Å; W551-L554 PolarHBondContact O-N 3.5Å; L554-S556 VanDerWaalsContact C-N 3.32Å; L554-S556 PolarHBondContact O-N 2.68Å; L554-N557 CarbonylContact O-C 3.58Å; L554-N557 PolarHBondContact O-N 3.38Å; L554-F564 HydrophobicContact CB-CE2 4.34Å; L554-F564 HydrophobicContact CB-CZ 3.91Å; L554-F564 HydrophobicContact CD1-CD2 4.16Å; L554-F564 HydrophobicContact CD1-CE1 4.26Å; L554-F564 HydrophobicContact CD1-CE2 3.71Å; L554-F564 HydrophobicContact CD1-CZ 3.75Å; L554-F564 HydrophobicContact CG-CZ 4.31Å; L554-Y723 HydrophobicContact CD1-CE1 4.08Å; L554-Y723 HydrophobicContact CD2-CD1 3.81Å; L554-Y723 HydrophobicContact CD2-CE1 3.73Å; L554-Y723 HydrophobicContact CD2-CG 4.26Å; L554-Y723 HydrophobicContact CG-CE1 4.2Å
555S67Low63.7Low73 Ų7364.2 Ų64.251%0.5131%0.308SS..Hα-helixtrans-71-27.7-177.955.70000113.3W551 L552W551-S555 WeakPolarHBondContact O-CB 3.47Å; W551-S555 PolarHBondContact O-N 2.71Å; W551-S555 PolarHBondContact O-OG 2.98Å; L552-S555 WeakPolarHBondContact CA-OG 3.39Å; L552-S555 PolarHBondContact O-OG 3.45Å
556S65.2Low63Low70 Ų7064.9 Ų64.949%0.4931%0.311SS..Hα-helixtrans-79-22.8175.450.90000113.3L552 L553 L554L552-S556 WeakPolarHBondContact O-CB 3.37Å; L552-S556 PolarHBondContact O-N 3.14Å; L552-S556 PolarHBondContact O-OG 3.43Å; L553-S556 PolarHBondContact O-OG 2.7Å; L553-S556 VanDerWaalsContact O-OG 3.1Å; L554-S556 VanDerWaalsContact C-N 3.32Å; L554-S556 PolarHBondContact O-N 2.68Å
557N54.8Low62.2Low30 Ų3071.2 Ų71.216%0.1634%0.341CS..SBendtrans-137.2130.2-171.5-58.5-68.7000112.4F519 T521 L553 L554 L559F519-N557 WeakPolarHBondContact CD1-ND2 3.39Å; F519-N557 HydrophobicContact CE1-CB 4.38Å; F519-N557 VanDerWaalsContact CE1-CG 3.45Å; F519-N557 WeakPolarHBondContact CE1-ND2 3.38Å; T521-N557 HydrophobicContact CG2-CB 4.49Å; L553-N557 PolarHBondContact O-N 3.08Å; L553-N557 PolarHBondContact O-ND2 2.86Å; L554-N557 CarbonylContact O-C 3.58Å; L554-N557 PolarHBondContact O-N 3.38Å; N557-L559 HydrophobicContact CB-CD1 3.75Å; N557-L559 HydrophobicContact CB-CG 3.87Å; N557-L559 PolarHBondContact O-N 3.46Å
558R52Low61.7Low231 Ų23171.8 Ų71.887%0.87234%0.344SS*.  trans-7073.7166.2-66.3-171.3-177.4-168.30.2109.9D560R558-D560 VanDerWaalsContact C-N 3.32Å; R558-D560 PolarHBondContact O-N 3.41Å; R558-D560 VanDerWaalsContact O-N 3.1Å
559L53.6Low61.3Low26 Ų2668.9 Ų68.914%0.13633%0.329CS..  trans-80.576.4178.8-83.4152.2000109.5M527 L553 N557 R561 V562M527-L559 HydrophobicContact CE-CD2 3.27Å; L553-L559 HydrophobicContact CG-CD1 4.05Å; N557-L559 HydrophobicContact CB-CD1 3.75Å; N557-L559 HydrophobicContact CB-CG 3.87Å; N557-L559 PolarHBondContact O-N 3.46Å; L559-R561 PolarHBondContact O-N 3.17Å; L559-V562 HydrophobicContact CD2-CG2 3.99Å
560D49.8Very low60.8Low131 Ų13169.5 Ų69.570%0.70133%0.33SS*.THydrogen-bonded Turntrans-72-3.4-177.2-70.7-17000114.4R558R558-D560 VanDerWaalsContact C-N 3.32Å; R558-D560 PolarHBondContact O-N 3.41Å; R558-D560 VanDerWaalsContact O-N 3.1Å
561R42.6Very low60.1Low240 Ų24074.1 Ų74.191%0.90636%0.355SS*.THydrogen-bonded Turntrans-135.92.9-162-75-165.7180-163.5-0.1118.5L559L559-R561 PolarHBondContact O-N 3.17Å
562V44.5Very low59.4Low53 Ų5373 Ų7332%0.32135%0.352SS..SBendtrans-103.5128.7-179.2-174.90000108.9M527 F531 L559 F564M527-V562 HydrophobicContact CE-CG2 3.76Å; M527-V562 HydrophobicContact SD-CG1 4.37Å; M527-V562 HydrophobicContact SD-CG2 3.93Å; F531-V562 HydrophobicContact CE2-CG1 4.42Å; F531-V562 HydrophobicContact CZ-CG1 4.27Å; L559-V562 HydrophobicContact CD2-CG2 3.99Å; V562-F564 PolarHBondContact O-N 3.43Å
563E47.7Very low59.1Low193 Ų19370.3 Ų70.390%0.90234%0.338SS*.  trans-52.886.9166.5-73.3-178165.800108.7
564F53.2Low58.5Low22 Ų2277.7 Ų77.710%0.09637%0.37CS..  trans-77135.1-171.2-158.7-98000107.2L550 L554 V562 H566 L569L550-F564 HydrophobicContact CD1-CD1 4.42Å; L550-F564 HydrophobicContact CD1-CD2 4.47Å; L550-F564 HydrophobicContact CD1-CE1 3.65Å; L550-F564 HydrophobicContact CD1-CE2 3.71Å; L550-F564 HydrophobicContact CD1-CZ 3.24Å; L550-F564 HydrophobicContact CD2-CD1 4.32Å; L550-F564 HydrophobicContact CD2-CE1 3.66Å; L550-F564 HydrophobicContact CD2-CZ 4.12Å; L550-F564 HydrophobicContact CG-CD1 4.4Å; L550-F564 HydrophobicContact CG-CE1 3.4Å; L550-F564 VanDerWaalsContact CG-CE1 3.4Å; L550-F564 HydrophobicContact CG-CE2 4.31Å; L550-F564 HydrophobicContact CG-CZ 3.34Å; L554-F564 HydrophobicContact CB-CE2 4.34Å; L554-F564 HydrophobicContact CB-CZ 3.91Å; L554-F564 HydrophobicContact CD1-CD2 4.16Å; L554-F564 HydrophobicContact CD1-CE1 4.26Å; L554-F564 HydrophobicContact CD1-CE2 3.71Å; L554-F564 HydrophobicContact CD1-CZ 3.75Å; L554-F564 HydrophobicContact CG-CZ 4.31Å; V562-F564 PolarHBondContact O-N 3.43Å; F564-H566 PolarHBondContact O-N 3.13Å; F564-H566 PolarHBondContact O-ND1 3.2Å; F564-L569 HydrophobicContact CE1-CD2 4.41Å
565E58.2Low57.6Low60 Ų6078 Ų7828%0.2837%0.371SS..  trans-69.761.3175.1-67.4177.2169.800109.6R535 E567 I568 L569R535-E565 IonicContact NE-OE1 3.49Å; R535-E565 IonicContact NH2-OE1 3.94Å; R535-E565 PolarHBondContact NH2-OE1 3.31Å; E565-E567 PolarHBondContact O-N 3.4Å; E565-E567 VanDerWaalsContact O-N 3.08Å; E565-I568 HydrophobicContact CB-CD1 3.92Å; E565-I568 HydrophobicContact CB-CG1 4.13Å; E565-I568 HydrophobicContact CG-CD1 4.42Å; E565-I568 PolarHBondContact O-N 2.79Å; E565-I568 WeakPolarHBondContact OE2-CD1 3.48Å; E565-L569 PolarHBondContact O-N 3.12Å
566H61.1Low56.5Low62 Ų6283.5 Ų83.529%0.28739%0.389SS..Hα-helixtrans-51.8-33.2-178.6-77.491.8000111.4F564 I568 L569 F570F564-H566 PolarHBondContact O-N 3.13Å; F564-H566 PolarHBondContact O-ND1 3.2Å; H566-I568 VanDerWaalsContact C-N 3.31Å; H566-I568 PolarHBondContact O-N 3.16Å; H566-L569 WeakPolarHBondContact O-CB 3.37Å; H566-L569 PolarHBondContact O-N 2.81Å; H566-F570 HydrophobicContact CB-CD2 3.95Å; H566-F570 HydrophobicContact CB-CE2 3.66Å; H566-F570 WeakPolarHBondContact O-CB 3.29Å; H566-F570 WeakPolarHBondContact O-CD2 3.38Å; H566-F570 VanDerWaalsContact O-CG 3.32Å; H566-F570 WeakPolarHBondContact O-CG 3.25Å; H566-F570 PolarHBondContact O-N 3.4Å
567E62.7Low55.2Low134 Ų13482.9 Ų82.963%0.62639%0.385SS*.Hα-helixtrans-57.9-41.2176.2-152.8-164.3152.200112.3E565 N571E565-E567 PolarHBondContact O-N 3.4Å; E565-E567 VanDerWaalsContact O-N 3.08Å; E567-N571 WeakPolarHBondContact O-CB 2.91Å; E567-N571 PolarHBondContact O-N 2.81Å; E567-N571 PolarHBondContact O-ND2 3.14Å
568I64.5Low54.2Low12 Ų1286.7 Ų86.76%0.06240%0.404CS..Hα-helixtrans-68.8-40.6178-60179.8000110.5V534 K538 A546 L550 E565 H566 G572V534-I568 HydrophobicContact CG1-CD1 4.48Å; V534-I568 HydrophobicContact CG1-CG2 4.28Å; K538-I568 HydrophobicContact CD-CD1 3.86Å; K538-I568 HydrophobicContact CD-CG1 4.2Å; A546-I568 HydrophobicContact CB-CG2 4.08Å; L550-I568 HydrophobicContact CD2-CB 4.23Å; L550-I568 HydrophobicContact CD2-CG2 4.44Å; E565-I568 HydrophobicContact CB-CD1 3.92Å; E565-I568 HydrophobicContact CB-CG1 4.13Å; E565-I568 HydrophobicContact CG-CD1 4.42Å; E565-I568 PolarHBondContact O-N 2.79Å; E565-I568 WeakPolarHBondContact OE2-CD1 3.48Å; H566-I568 VanDerWaalsContact C-N 3.31Å; H566-I568 PolarHBondContact O-N 3.16Å; I568-G572 PolarHBondContact O-N 3.25Å
569L66.6Low53.2Low4 Ų479.5 Ų79.52%0.02139%0.389CS..Hα-helixtrans-60.1-57.9174.8-171.672.3000109.4S547 L550 W551 F564 E565 H566 N571 G572 L573 V720S547-L569 WeakPolarHBondContact O-CD1 3.49Å; L550-L569 HydrophobicContact CD2-CB 3.94Å; W551-L569 HydrophobicContact CB-CD1 3.98Å; W551-L569 HydrophobicContact CE3-CD1 4.22Å; W551-L569 HydrophobicContact CE3-CD2 4.16Å; F564-L569 HydrophobicContact CE1-CD2 4.41Å; E565-L569 PolarHBondContact O-N 3.12Å; H566-L569 WeakPolarHBondContact O-CB 3.37Å; H566-L569 PolarHBondContact O-N 2.81Å; L569-N571 PolarHBondContact O-N 3.29Å; L569-G572 PolarHBondContact O-N 3.39Å; L569-L573 HydrophobicContact CD1-CD1 4.11Å; L569-L573 HydrophobicContact CD1-CG 4.45Å; L569-L573 HydrophobicContact CG-CD1 3.99Å; L569-L573 HydrophobicContact CG-CG 4.44Å; L569-L573 WeakPolarHBondContact O-CB 3.37Å; L569-L573 WeakPolarHBondContact O-CG 3.26Å; L569-L573 PolarHBondContact O-N 3.04Å; L569-V720 HydrophobicContact CD2-CG1 3.7Å; L569-V720 HydrophobicContact CD2-CG2 4.47Å
570F65.5Low52Low18 Ų1883.1 Ų83.18%0.07942%0.417CS..Hα-helixtrans-61.4-42.7-176.9-66-47.1000113.1H566 L573 K574 I575 V720 L724H566-F570 HydrophobicContact CB-CD2 3.95Å; H566-F570 HydrophobicContact CB-CE2 3.66Å; H566-F570 WeakPolarHBondContact O-CB 3.29Å; H566-F570 WeakPolarHBondContact O-CD2 3.38Å; H566-F570 VanDerWaalsContact O-CG 3.32Å; H566-F570 WeakPolarHBondContact O-CG 3.25Å; H566-F570 PolarHBondContact O-N 3.4Å; F570-L573 CarbonylContact O-C 3.52Å; F570-L573 PolarHBondContact O-N 2.75Å; F570-K574 WeakPolarHBondContact O-CA 3.17Å; F570-K574 PolarHBondContact O-N 3.5Å; F570-I575 HydrophobicContact CD1-CB 3.94Å; F570-I575 HydrophobicContact CD1-CD1 4.27Å; F570-I575 HydrophobicContact CD1-CG2 4.11Å; F570-I575 HydrophobicContact CE1-CG2 4.44Å; F570-I575 PolarHBondContact O-N 3.09Å; F570-V720 HydrophobicContact CE1-CG1 4.2Å; F570-L724 HydrophobicContact CE1-CD1 3.51Å; F570-L724 HydrophobicContact CZ-CD1 3.41Å; F570-L724 VanDerWaalsContact CZ-CD1 3.41Å; F570-L724 HydrophobicContact CZ-CD2 4.35Å
571N63.9Low50.9Low97 Ų9784 Ų8452%0.51942%0.421SS..Hα-helixtrans-64.7-41.4177.7-72.4-16.6000111.7E567 L569 K574E567-N571 WeakPolarHBondContact O-CB 2.91Å; E567-N571 PolarHBondContact O-N 2.81Å; E567-N571 PolarHBondContact O-ND2 3.14Å; L569-N571 PolarHBondContact O-N 3.29Å; N571-K574 PolarHBondContact O-N 2.7Å
572G62.1Low50.1Low3 Ų378.9 Ų78.93%0.03141%0.411CS..Hα-helixtrans-69.4-32.5176.600000113.4I568 L569I568-G572 PolarHBondContact O-N 3.25Å; L569-G572 PolarHBondContact O-N 3.39Å
573L65.5Low49.1Very low3 Ų381 Ų812%0.01643%0.433CS..Hα-helixtrans-85.4-10.7175.4-56.5-173.1000113.9L569 F570 I575 W713 L716 Q717 V720L569-L573 HydrophobicContact CD1-CD1 4.11Å; L569-L573 HydrophobicContact CD1-CG 4.45Å; L569-L573 HydrophobicContact CG-CD1 3.99Å; L569-L573 HydrophobicContact CG-CG 4.44Å; L569-L573 WeakPolarHBondContact O-CB 3.37Å; L569-L573 WeakPolarHBondContact O-CG 3.26Å; L569-L573 PolarHBondContact O-N 3.04Å; F570-L573 CarbonylContact O-C 3.52Å; F570-L573 PolarHBondContact O-N 2.75Å; L573-I575 VanDerWaalsContact C-N 3.33Å; L573-I575 HydrophobicContact CB-CD1 3.82Å; L573-I575 HydrophobicContact CB-CG1 3.85Å; L573-I575 HydrophobicContact CD1-CD1 3.72Å; L573-I575 HydrophobicContact CG-CD1 4.44Å; L573-W713 HydrophobicContact CD2-CE3 3.94Å; L573-W713 HydrophobicContact CD2-CH2 3.82Å; L573-W713 HydrophobicContact CD2-CZ3 3.14Å; L573-W713 HydrophobicContact CG-CZ3 4.36Å; L573-L716 HydrophobicContact CD1-CD2 3.68Å; L573-L716 HydrophobicContact CD2-CD2 3.2Å; L573-L716 HydrophobicContact CG-CD2 4.09Å; L573-Q717 HydrophobicContact CB-CG 4.38Å; L573-Q717 PolarHBondContact O-NE2 3.32Å; L573-V720 HydrophobicContact CD1-CB 4.1Å; L573-V720 HydrophobicContact CD1-CG1 4.19Å; L573-V720 HydrophobicContact CD1-CG2 3.33Å
574K58.4Low47.9Very low158 Ų15880.9 Ų80.969%0.68743%0.433SS*.THydrogen-bonded Turntrans53.743-170.8-60-171.8173-166.70113.7F570 N571F570-K574 WeakPolarHBondContact O-CA 3.17Å; F570-K574 PolarHBondContact O-N 3.5Å; N571-K574 PolarHBondContact O-N 2.7Å
575I51.6Low46.5Very low18 Ų1887.5 Ų87.59%0.09247%0.466CS..PPolyproline II helixtrans-93.8119.9173.8-59.6171000107.6F570 L573 S577 Q717 V720 I721F570-I575 HydrophobicContact CD1-CB 3.94Å; F570-I575 HydrophobicContact CD1-CD1 4.27Å; F570-I575 HydrophobicContact CD1-CG2 4.11Å; F570-I575 HydrophobicContact CE1-CG2 4.44Å; F570-I575 PolarHBondContact O-N 3.09Å; L573-I575 VanDerWaalsContact C-N 3.33Å; L573-I575 HydrophobicContact CB-CD1 3.82Å; L573-I575 HydrophobicContact CB-CG1 3.85Å; L573-I575 HydrophobicContact CD1-CD1 3.72Å; L573-I575 HydrophobicContact CG-CD1 4.44Å; I575-S577 PolarHBondContact O-N 3.26Å; I575-Q717 HydrophobicContact CD1-CB 4.23Å; I575-Q717 HydrophobicContact CD1-CG 4.13Å; I575-Q717 HydrophobicContact CG1-CG 4.14Å; I575-V720 HydrophobicContact CD1-CB 4.3Å; I575-V720 HydrophobicContact CD1-CG1 4.21Å; I575-I721 HydrophobicContact CD1-CD1 4.48Å; I575-I721 HydrophobicContact CD1-CG1 4.27Å; I575-I721 HydrophobicContact CG2-CD1 4.32Å; I575-I721 HydrophobicContact CG2-CG1 4.42Å
576Q43.9Very low44.9Very low189 Ų18990.6 Ų90.688%0.88349%0.49SS*.PPolyproline II helixtrans-77.5118.8173.6-78.5178.4-24.300109.6
577S38.1Very low42.9Very low57 Ų5793.9 Ų93.940%0.39951%0.505SS..PPolyproline II helixtrans-86.7131.2170.260.20000110.4I575 S579I575-S577 PolarHBondContact O-N 3.26Å; S577-S579 PolarHBondContact O-N 2.87Å
578L33Very low41.1Very low110 Ų11093.2 Ų93.258%0.57651%0.51SS*.  trans-65.4102.4165.9-88.697.3000109.2I582L578-I582 HydrophobicContact CD2-CD1 4.31Å
579S30.7Very low39Very low80 Ų8098.5 Ų98.556%0.55953%0.533SS*.  trans-98.8118176.861.80000112.2S577 N581S577-S579 PolarHBondContact O-N 2.87Å; S579-N581 VanDerWaalsContact C-N 3.31Å; S579-N581 PolarHBondContact O-N 2.97Å
580S28.8Very low37Very low101 Ų101104 Ų10471%0.70656%0.562SS**SBendtrans35.6-7.4151.956.80000124.8I582S580-I582 PolarHBondContact O-N 3.43Å
581N26.5Very low34.8Very low150 Ų150110.2 Ų110.280%0.80260%0.595SS**THydrogen-bonded Turntrans-91.517.5-171.7-75.6-1.6000116S579S579-N581 VanDerWaalsContact C-N 3.31Å; S579-N581 PolarHBondContact O-N 2.97Å
582I25.3Very low32.8Very low132 Ų132111.9 Ų111.968%0.67760%0.604SS**THydrogen-bonded Turntrans-98.1-0.1-173.6-61.6176.5000113.9L578 S580 Q584L578-I582 HydrophobicContact CD2-CD1 4.31Å; S580-I582 PolarHBondContact O-N 3.43Å; I582-Q584 VanDerWaalsContact C-N 3.3Å; I582-Q584 PolarHBondContact O-N 3.31Å
583A23.9Very low30.8Very low97 Ų97116.3 Ų116.380%0.80263%0.634SS**THydrogen-bonded Turntrans-76.417-170.700000117.6
584Q23.6Very low28.7Very low192 Ų192122.6 Ų122.690%0.89767%0.668SS**THydrogen-bonded Turntrans-127.915.1-175.4-77.2-171.5-10.400117.1I582I582-Q584 VanDerWaalsContact C-N 3.3Å; I582-Q584 PolarHBondContact O-N 3.31Å
585M22.5Very low26.9Very low161 Ų161120.9 Ų120.979%0.79367%0.666SS**  trans-124.898.3171.5-81.6-168.9162.200111.2
586T23.8Very low25.4Very low125 Ų125126.3 Ų126.377%0.76770%0.696SS**  trans161.9107.3135.337.90000113.8I848T586-I848 HydrophobicContact CG2-CD1 4.49Å
587E20.2Very low24.4Very low130 Ų130122.9 Ų122.961%0.60769%0.687SS**  trans-156.1120152.6-82.5-152.4127.800106.9P787E587-P787 WeakPolarHBondContact OE1-CD 3.43Å
588T24.4Very low23.6Very low121 Ų121123.5 Ų123.574%0.74269%0.689SS**  173.4121.479.534.30000108.1
589K20.4Very low23Very low122 Ų122121.3 Ų121.353%0.5368%0.68SS.*  59.4104106.3-75.2-168.8179-175.70119.9N789K589-N789 PolarHBondContact NZ-O 3.34Å
590L24.1Very low22.6Very low121 Ų121121.5 Ų121.563%0.63468%0.675SS**  66.9148.3121.5-88.4159.9000123.8L790L590-L790 HydrophobicContact CD1-CD1 4Å
591L20.9Very low22.3Very low147 Ų147121 Ų12177%0.7767%0.668SS**  trans93.3133164.2-65.8134.1000115.7
592N21.2Very low22.1Very low133 Ų133119.3 Ų119.371%0.71166%0.658SS**  cis-178.1147.3-12.5-124.413.6000105.4
593S20.4Very low21.9Very low95 Ų95117.5 Ų117.566%0.66465%0.649SS**  trans147.8116.2132.969.80000113.3
594N20.2Very low21.8Very low135 Ų135116.6 Ų116.672%0.72263%0.634SS**  75.5135.1127.4-66.737000119.4
595D21.3Very low21.7Very low123 Ų123110.8 Ų110.866%0.65861%0.612SS**  cis-161.5137.92.2-84-32.7000109
596D20.9Very low21.6Very low132 Ų132110 Ų11071%0.70661%0.609SS**  trans59.9113.4133.1-64.4-17.3000127.3
597T21.7Very low21.4Very low116 Ų116109 Ų10971%0.71260%0.603SS**  62.3148.1123.2680000121.9
598T22.1Very low21.5Very low71 Ų71109.4 Ų109.444%0.43661%0.609SS.*  cis-177.3132.7-1.525.70000109.2Q834T598-Q834 VanDerWaalsContact CB-O 3.31Å; T598-Q834 WeakPolarHBondContact CB-O 3.34Å; T598-Q834 WeakPolarHBondContact CG2-O 3.34Å
599T20.9Very low21.3Very low64 Ų64108.1 Ų108.139%0.39361%0.605SS.*  trans59.9144.9135.475.90000121.6Q834 K836T599-Q834 PolarHBondContact OG1-O 3.24Å; T599-K836 HydrophobicContact CG2-CB 3.29Å; T599-K836 HydrophobicContact CG2-CD 3.42Å; T599-K836 VanDerWaalsContact CG2-CD 3.42Å; T599-K836 HydrophobicContact CG2-CG 3.38Å
600N22.2Very low21.3Very low83 Ų83108.9 Ų108.944%0.44462%0.615SS.*  cis-178.7131.747.9-125.4-9000112K836N600-K836 WeakPolarHBondContact OD1-CD 3.3Å; N600-K836 WeakPolarHBondContact OD1-CE 3.46Å; N600-K836 PolarHBondContact OD1-NZ 3.12Å
601T21.9Very low21.3Very low92 Ų92110.6 Ų110.656%0.56463%0.625SS**  trans61.7145.9133.648.20000120.4
602I21.5Very low21.3Very low113 Ų113111.1 Ų111.158%0.57963%0.627SS**  cis179.9158.710.9-108.2167.9000106.9
603N22Very low21.3Very low95 Ų95110.6 Ų110.651%0.50863%0.629SS.*  trans98.3107.3148.4-85.2-6.4000122.5S818N603-S818 VanDerWaalsContact O-CB 3.24Å; N603-S818 WeakPolarHBondContact O-CB 3.33Å; N603-S818 PolarHBondContact O-OG 2.88Å
604T21.3Very low21.4Very low77 Ų77112.6 Ų112.647%0.47263%0.632SS.*  89.7101114.253.90000120.7
605T21.1Very low21.4Very low70 Ų70112.5 Ų112.543%0.42963%0.631SS.*  54.1131.8112.850.30000121.3V816T605-V816 HydrophobicContact CG2-CB 4.18Å; T605-V816 HydrophobicContact CG2-CG1 3.63Å; T605-V816 HydrophobicContact CG2-CG2 4.22Å
606I20.6Very low21.4Very low144 Ų144114.9 Ų114.974%0.73864%0.636SS**  trans77.6120.7138.2-68.6166.9000112.1
607T20.9Very low21.4Very low104 Ų104115 Ų11564%0.63864%0.637SS**  cis178158.437.414.90000110.4
608N21.2Very low21.3Very low139 Ų139116.5 Ų116.574%0.74364%0.639SS**  trans73.6114.2138.7-68.2-11000122.2
609S20.7Very low21.1Very low94 Ų94117.1 Ų117.166%0.65765%0.646SS**  88.7125.111672.50000120.8
610N20.4Very low21.1Very low138 Ų138123.8 Ų123.874%0.73867%0.665SS**  trans65.4106.8136.6-60.2-9.4000118.8
611N23.5Very low21Very low157 Ų157126.4 Ų126.484%0.8468%0.678SS**  176.1133.991.9-96.5-27.5000112.3
612I21.5Very low20.9Very low159 Ų159129.6 Ų129.682%0.81569%0.691SS**  trans-71.3132.8164.6-68.1159.3000108.5
613T21.5Very low20.9Very low121 Ų121130 Ų13074%0.74270%0.695SS**  trans-171.6121.9139.330.50000112.5
614N21.3Very low20.9Very low137 Ų137133.7 Ų133.773%0.73371%0.709SS**  trans63.5121.9141-71.3-7.2000123.4
615N21.5Very low21Very low133 Ų133137.2 Ų137.271%0.71173%0.725SS**  98.7112.7127.5-74.1-19.8000120.5
616K20.4Very low21Very low173 Ų173143.4 Ų143.475%0.75275%0.746SS**  trans69.8115.4130.2-70.6-172176.6-176.60119.3
617D21Very low21.2Very low135 Ų135141.5 Ų141.572%0.72274%0.743SS**  trans83.2117.2131-65-21.5000119.4
618I19.3Very low21.2Very low147 Ų147142.2 Ų142.275%0.75475%0.749SS**  trans93.494140.3-61.2160.8000116.4
619S18.8Very low21.2Very low84 Ų84141.9 Ų141.959%0.58775%0.752SS**  trans31.6120.413264.90000118.7
620Y19.6Very low21.3Very low204 Ų204144.1 Ų144.180%0.876%0.755SS**  -173.7123113-99.7-70.2000110.5
621L20.2Very low21.3Very low138 Ų138144.5 Ų144.572%0.72376%0.756SS**  trans37.8100.5137.8-79.1159.9000118.9
622L20.6Very low21.2Very low159 Ų159142.5 Ų142.583%0.83275%0.749SS**  -176.8138.8120.9-100.6150.8000110.5E624L622-E624 PolarHBondContact O-N 2.85Å
623N21.8Very low21.2Very low123 Ų123140.1 Ų140.166%0.65875%0.746SS**  trans-5.7116.5155.1-73.7-18.2000113.9
624E22.3Very low21.2Very low172 Ų172144.7 Ų144.780%0.80475%0.749SS**  -173168.872.5-89.4-16515700109.6L622L622-E624 PolarHBondContact O-N 2.85Å
625N22.6Very low21.3Very low151 Ų151145.3 Ų145.381%0.80775%0.752SS**  trans86.970.8175.7-56.3-26.6000117.2
626K21.6Very low21.4Very low200 Ų200146.5 Ų146.587%0.8776%0.756SS**  -106.4135.4126.3-84.2-175.1177.4-178.90107.9
627P24.5Very low21.5Very low104 Ų104142.1 Ų142.168%0.67575%0.752SS**  trans-64.7157.5-169.929.8-35000110.8V629P627-V629 PolarHBondContact O-N 2.89Å; P627-V629 VanDerWaalsContact O-N 3.11Å
628P21.9Very low21.7Very low118 Ų118140.6 Ų140.677%0.76675%0.752SS**  trans-53.7121.3-174.623.1-33.5000109.4I630P628-I630 VanDerWaalsContact C-N 3.26Å; P628-I630 PolarHBondContact O-N 2.98Å
629V21Very low22Very low133 Ų133137.9 Ų137.981%0.80674%0.744SS**  trans-69.193.6173.2176.20000106P627 I631P627-V629 PolarHBondContact O-N 2.89Å; P627-V629 VanDerWaalsContact O-N 3.11Å; V629-I631 PolarHBondContact O-N 3.02Å
630I21.8Very low22.3Very low141 Ų141138.8 Ų138.872%0.72375%0.748SS**  trans-53105.4163-64.4167.7000105.6P628 T632P628-I630 VanDerWaalsContact C-N 3.26Å; P628-I630 PolarHBondContact O-N 2.98Å; I630-T632 PolarHBondContact O-N 3.44Å
631I21.1Very low22.5Very low146 Ų146136.8 Ų136.875%0.74975%0.75SS**  trans-60.9108171.1-65.3172.8000105V629 C633V629-I631 PolarHBondContact O-N 3.02Å; I631-C633 VanDerWaalsContact C-N 3.26Å; I631-C633 PolarHBondContact O-N 3.45Å
632T20.9Very low22.6Very low115 Ų115141.9 Ų141.971%0.70676%0.76SS**  trans-7482-17522.80000108.3I630 R634I630-T632 PolarHBondContact O-N 3.44Å; T632-R634 PolarHBondContact O-N 3.3Å
633C21.4Very low22.9Very low109 Ų109140.2 Ų140.274%0.73676%0.761SS**  trans-56.1123.4151.6-72.80000106.9I631 L635I631-C633 VanDerWaalsContact C-N 3.26Å; I631-C633 PolarHBondContact O-N 3.45Å; C633-L635 PolarHBondContact O-N 3.03Å
634R21.3Very low23.1Very low217 Ų217139.5 Ų139.582%0.81976%0.762SS**  trans-49.699.6-173.5-77.3175.3171.4158.9-1.9111.2T632 I636T632-R634 PolarHBondContact O-N 3.3Å; R634-I636 PolarHBondContact O-N 3.43Å
635L24.1Very low23.3Very low150 Ų150137.5 Ų137.579%0.78575%0.751SS**  trans-51.1122161.5-85.3140.3000108.6C633 A637C633-L635 PolarHBondContact O-N 3.03Å; L635-A637 PolarHBondContact O-N 3.21Å
636I23.2Very low23.5Very low158 Ų158136.8 Ų136.881%0.8175%0.752SS**  trans-69.475166.4-58.4173.8000106.9R634 S638R634-I636 PolarHBondContact O-N 3.43Å; I636-S638 PolarHBondContact O-N 3.26Å
637A23.4Very low23.7Very low80 Ų80133 Ų13366%0.66175%0.745SS**  trans-74.3110.3174.200000108.4L635L635-A637 PolarHBondContact O-N 3.21Å
638S24.3Very low23.8Very low103 Ų103133.3 Ų133.372%0.7275%0.747SS**  trans64.798.1167.562.80000117.2I636I636-S638 PolarHBondContact O-N 3.26Å
639P25.1Very low24.1Very low91 Ų91134.6 Ų134.659%0.59175%0.748SS**  trans-67.8135167.327.7-30.1000109.9L641P639-L641 PolarHBondContact O-N 3.32Å
640P24.8Very low24.4Very low103 Ų103135.8 Ų135.867%0.66975%0.745SS**  trans-64.9129-175.522.4-31.1000112.2W642P640-W642 PolarHBondContact O-N 3.47Å; P640-W642 VanDerWaalsContact O-N 3.13Å
641L23.9Very low24.8Very low161 Ų161133.5 Ų133.584%0.84374%0.741SS**  trans-69.390.2-176.7-73.8156.1000112.2P639P639-L641 PolarHBondContact O-N 3.32Å
642W23.5Very low25.2Very low245 Ų245134.6 Ų134.693%0.92874%0.743SS**  trans-125.8112163.5-78.357.1000109P640P640-W642 PolarHBondContact O-N 3.47Å; P640-W642 VanDerWaalsContact O-N 3.13Å
643C26.1Very low25.6Very low125 Ų125137 Ų13785%0.84574%0.739SS**  trans-92.7132.2-178.8-163.50000108.9
644P27.1Very low25.8Very low107 Ų107137 Ų13770%0.69573%0.731SS**  -155134.5114.933.9-15.2000114.3
645F26.4Very low26.4Very low131 Ų131132.4 Ų132.458%0.57572%0.721SS**  trans-169.5107139.2-89.6-64.7000108.2K545K545-F645 HydrophobicContact CD-CZ 4.34Å; K545-F645 VanDerWaalsContact CE-CZ 3.44Å
646V25.1Very low26.8Very low136 Ų136135 Ų13582%0.82472%0.721SS**  trans-96105.2164.8176.60000106.1P648V646-P648 HydrophobicContact CG1-CB 4.42Å
647V27.4Very low27Very low119 Ų119130.9 Ų130.972%0.72170%0.7SS**  trans-94.3106.9160.9179.30000105.6D649V647-D649 PolarHBondContact O-N 3.36Å; V647-D649 VanDerWaalsContact O-N 3.12Å
648P26.7Very low27.5Very low111 Ų111132.8 Ų132.872%0.72170%0.698SS**  trans-84.390.5-17432.9-29.5000108.7V646V646-P648 HydrophobicContact CG1-CB 4.42Å
649D27.7Very low28Very low146 Ų146132.7 Ų132.778%0.78169%0.693SS**  trans-128.455.4175.3-138.916.3000111V647V647-D649 PolarHBondContact O-N 3.36Å; V647-D649 VanDerWaalsContact O-N 3.12Å
650Q28.1Very low28.3Very low158 Ų158133.6 Ų133.674%0.73870%0.697SS**  trans-151.968.9164.4-71.1-154-1.300111.6H652Q650-H652 PolarHBondContact O-N 2.91Å
651S29.4Very low28.5Very low92 Ų92135.1 Ų135.164%0.64370%0.698SS**Hα-helixtrans-67.8-5.1172.651.60000114.4
652H29.5Very low28.8Very low169 Ų169131.7 Ų131.778%0.78269%0.688SS**Hα-helixtrans-92.4-8.9-177.6-91.4-81.3000116.2Q650Q650-H652 PolarHBondContact O-N 2.91Å
653W28.4Very low29Very low166 Ų166127.2 Ų127.263%0.62968%0.682SS**Hα-helixtrans-97.1-31.7178-174.667.7000113.6I655 R656 L657W653-I655 VanDerWaalsContact C-N 3.33Å; W653-I655 PolarHBondContact O-N 3.37Å; W653-R656 PolarHBondContact O-N 2.97Å; W653-R656 VanDerWaalsContact O-N 3.14Å; W653-L657 HydrophobicContact CH2-CD1 3.47Å; W653-L657 VanDerWaalsContact CH2-CD1 3.47Å; W653-L657 HydrophobicContact CZ2-CD1 3.37Å; W653-L657 HydrophobicContact CZ3-CD1 4.14Å
654L27Very low29.1Very low108 Ų108126.7 Ų126.757%0.56568%0.68SS**Hα-helixtrans-66.5-29.4-177.9-109.2141.6000113.8R656 L657 I658L654-R656 PolarHBondContact O-N 3.14Å; L654-L657 PolarHBondContact O-N 2.74Å; L654-I658 HydrophobicContact CD2-CD1 4.18Å; L654-I658 WeakPolarHBondContact O-CG1 3.49Å; L654-I658 PolarHBondContact O-N 3.29Å
655I33.7Very low29.1Very low121 Ų121126.7 Ų126.762%0.62168%0.682SS**Hα-helixtrans-68.1-26.4176.4-62.7175.3000111.6W653 T659W653-I655 VanDerWaalsContact C-N 3.33Å; W653-I655 PolarHBondContact O-N 3.37Å; I655-T659 PolarHBondContact O-OG1 3.26Å
656R31.1Very low29.1Very low205 Ų205128.3 Ų128.377%0.77469%0.694SS**Hα-helixtrans-79.4-21.9178.5-117.8-179.9-177.7175.41.2113.6W653 L654 T659 T660W653-R656 PolarHBondContact O-N 2.97Å; W653-R656 VanDerWaalsContact O-N 3.14Å; L654-R656 PolarHBondContact O-N 3.14Å; R656-T659 PolarHBondContact O-OG1 3.43Å; R656-T660 PolarHBondContact O-OG1 2.9Å
657L28Very low29.1Very low71 Ų71129.9 Ų129.937%0.37270%0.696SS.*Hα-helixtrans-93.8-29.2-178.1-130.5144.3000112.3W653 L654 T659 T660 I661W653-L657 HydrophobicContact CH2-CD1 3.47Å; W653-L657 VanDerWaalsContact CH2-CD1 3.47Å; W653-L657 HydrophobicContact CZ2-CD1 3.37Å; W653-L657 HydrophobicContact CZ3-CD1 4.14Å; L654-L657 PolarHBondContact O-N 2.74Å; L657-T659 VanDerWaalsContact C-N 3.26Å; L657-T659 PolarHBondContact O-N 3.01Å; L657-T660 PolarHBondContact O-N 3.37Å; L657-I661 HydrophobicContact CD2-CD1 3.75Å
658I33.3Very low29.2Very low121 Ų121128.6 Ų128.662%0.62169%0.693SS**Hα-helixtrans-69-25.1175.5-66.3171.6000112L654L654-I658 HydrophobicContact CD2-CD1 4.18Å; L654-I658 WeakPolarHBondContact O-CG1 3.49Å; L654-I658 PolarHBondContact O-N 3.29Å
659T35.1Very low29.4Very low101 Ų101129.4 Ų129.462%0.6270%0.696SS**THydrogen-bonded Turntrans-83.6-8.3179.939.40000115I655 R656 L657I655-T659 PolarHBondContact O-OG1 3.26Å; R656-T659 PolarHBondContact O-OG1 3.43Å; L657-T659 VanDerWaalsContact C-N 3.26Å; L657-T659 PolarHBondContact O-N 3.01Å
660T32.6Very low29.5Very low110 Ų110125.8 Ų125.868%0.67568%0.682SS**THydrogen-bonded Turntrans-113.2-4.3-176.325.60000115.6R656 L657R656-T660 PolarHBondContact O-OG1 2.9Å; L657-T660 PolarHBondContact O-N 3.37Å
661I28.2Very low29.7Very low134 Ų134124.8 Ų124.869%0.68768%0.68SS**SBendtrans-123.732.1179.1-41.8-178.7000111.5L657L657-I661 HydrophobicContact CD2-CD1 3.75Å
662S30.7Very low29.7Very low90 Ų90127.7 Ų127.763%0.62968%0.682SS**SBendtrans-94.415.3169.664.60000113.6
663N27.8Very low29.8Very low151 Ų151125 Ų12581%0.80767%0.673SS**SBendtrans-138.480.2-179.3-82.6-20.5000112.1
664S28.2Very low30Very low113 Ų113122.4 Ų122.479%0.7967%0.672SS**  trans174.8100.4137.4590000109.6
665S26.9Very low30.2Very low107 Ų107121.2 Ų121.275%0.74867%0.665SS**  trans-60.3148.6163.250.40000111.6
666M26.5Very low30.1Very low166 Ų166120 Ų12082%0.81866%0.659SS**  trans80.795.5167.4-56.5-79.9100.600116.4
667L25.3Very low30Very low168 Ų168117.7 Ų117.788%0.8865%0.654SS**  trans-160.593.1134.8-104.4143.9000110.5
668S28.3Very low30.1Very low93 Ų93120.3 Ų120.365%0.6567%0.668SS**  trans-64.1146.2163.552.30000111.7S670S668-S670 PolarHBondContact O-N 2.96Å
669T31Very low29.8Very low127 Ų127120.8 Ų120.878%0.77967%0.666SS**SBendtrans62.144.2146.954.10000119.5
670S30.8Very low29.6Very low71 Ų71120 Ų12050%0.49766%0.664SS.*SBendtrans-120.8-13.516070.30000115S668S668-S670 PolarHBondContact O-N 2.96Å
671I31.5Very low29.4Very low137 Ų137120.3 Ų120.370%0.70366%0.659SS**Hα-helixtrans-73.4-28.3178.3-63175.1000111.8
672F30.6Very low29.4Very low153 Ų153122 Ų12267%0.67166%0.662SS**Hα-helixtrans-76.4-25.8-178.7-131.7-93.7000113.9
673N30.4Very low29.3Very low113 Ų113124.8 Ų124.860%0.60467%0.67SS**Hα-helixtrans-80.3-23.1178.8-85.2-15.8000113.7K677N673-K677 PolarHBondContact O-N 2.79Å
674N33Very low29.4Very low111 Ų111123.6 Ų123.659%0.59466%0.663SS**Hα-helixtrans-77.8-22.4174-76.4-18.8000113I676 L678N674-I676 VanDerWaalsContact C-N 3.34Å; N674-L678 PolarHBondContact O-N 2.91Å
675I31.3Very low29.3Very low83 Ų83122.9 Ų122.943%0.42666%0.655SS.*Hα-helixtrans-75.4-24.9174.8-65173.6000111.6
676I30.5Very low29.3Very low96 Ų96129.4 Ų129.449%0.49266%0.663SS.*Hα-helixtrans-82.3-33.4176.3-62.3177.5000111.2N674 L678 K679N674-I676 VanDerWaalsContact C-N 3.34Å; I676-L678 PolarHBondContact O-N 2.79Å; I676-K679 PolarHBondContact O-N 3.26Å
677K29.6Very low29.3Very low155 Ų155129.9 Ų129.967%0.67466%0.663SS**Hα-helixtrans-71.3-24.9176-115.1178.9-179.9178.70114.4N673 K679 S680N673-K677 PolarHBondContact O-N 2.79Å; K677-K679 VanDerWaalsContact C-N 3.3Å; K677-K679 PolarHBondContact O-N 3.18Å; K677-S680 PolarHBondContact O-N 3.29Å
678L30.4Very low29.3Very low126 Ų126129.5 Ų129.566%0.6666%0.661SS**THydrogen-bonded Turntrans-73-18.5175.5-102151.6000113.8N674 I676N674-L678 PolarHBondContact O-N 2.91Å; I676-L678 PolarHBondContact O-N 2.79Å
679K28.2Very low29.1Very low132 Ų132133 Ų13357%0.57467%0.672SS**THydrogen-bonded Turntrans-82.3-21.5174.4-111-176.4177.5-173.60113.8I676 K677I676-K679 PolarHBondContact O-N 3.26Å; K677-K679 VanDerWaalsContact C-N 3.3Å; K677-K679 PolarHBondContact O-N 3.18Å
680S30.9Very low28.9Very low84 Ų84131.8 Ų131.859%0.58767%0.669SS**SBendtrans-90.4-6.1178.594.20000114.3K677K677-S680 PolarHBondContact O-N 3.29Å
681M26.8Very low28.8Very low116 Ų116135.4 Ų135.457%0.57168%0.682SS**SBendtrans-94.7-11.4176.9-76-114.467.300114N683M681-N683 VanDerWaalsContact C-N 3.3Å; M681-N683 PolarHBondContact O-N 3.31Å
682F29.6Very low28.4Very low171 Ų171136.5 Ų136.575%0.7569%0.686SS**THydrogen-bonded Turntrans-75.4-15.8178.2-121.6-85.7000113.9
683N28.4Very low28.2Very low148 Ų148137 Ų13779%0.79170%0.696SS**THydrogen-bonded Turntrans-95.3-4.6179.5-84.7-1.9000115.3M681M681-N683 VanDerWaalsContact C-N 3.3Å; M681-N683 PolarHBondContact O-N 3.31Å
684N30Very low28.3Very low125 Ų125135.9 Ų135.967%0.66870%0.697SS**SBendtrans-116.57.3-179.4-86.1-10000115.6
685T25.5Very low28.1Very low99 Ų99136.5 Ų136.561%0.60770%0.701SS**THydrogen-bonded Turntrans-101.321.6179.145.70000114.8
686R25.9Very low27.8Very low243 Ų243138.5 Ų138.592%0.91771%0.711SS**THydrogen-bonded Turntrans-92.4-5.6161-90.6-173.2-178.7174.41.9114.4
687H27.5Very low27.7Very low177 Ų177141.7 Ų141.782%0.81973%0.729SS**SBendtrans-115.38.3-173.4-101.5-59.8000117.7
688L24.4Very low27.7Very low160 Ų160138.6 Ų138.684%0.83873%0.727SS**  trans-138.348178.9-87.3164000113.5
689N24.5Very low27.4Very low167 Ų167139.3 Ų139.389%0.89373%0.73SS**  trans-105.832.7177.3-14316.4000114
690S27.4Very low27.3Very low101 Ų101143.3 Ų143.371%0.70674%0.744SS**SBendtrans-129.815.1-176.976.70000116.7
691N28.6Very low27.1Very low146 Ų146144.7 Ų144.778%0.78175%0.753SS**SBendtrans-151.417.6-178.1-111.1-6000121.4
692M23.5Very low26.9Very low160 Ų160144 Ų14479%0.78876%0.76SS**  trans-139.370.8171.4-77.6-64.6163.900112.3
693N26.4Very low26.6Very low163 Ų163145.3 Ų145.387%0.87277%0.765SS**  trans-102.429.3171.5-138.311.5000112.5
694S31.1Very low26.5Very low91 Ų91143.6 Ų143.664%0.63677%0.765SS**SBendtrans-129.11.2-173.867.20000117.6
695N29.5Very low26.1Very low124 Ų124143.4 Ų143.466%0.66377%0.772SS**  trans-124.920.7-177.5-82-15.3000116
696I24.8Very low25.9Very low125 Ų125146.9 Ų146.964%0.64179%0.786SS**G310 helixtrans-85.4-0.6178.8-69.2175.2000113.9
697N29.6Very low25.8Very low162 Ų162140.6 Ų140.687%0.86678%0.776SS**G310 helixtrans-88.61.5178.5-80-7.7000116
698S29.5Very low25.6Very low91 Ų91141.8 Ų141.864%0.63678%0.78SS**G310 helixtrans-102.1-4.1-179.566.20000115.7
699L22.8Very low25.6Very low140 Ų140145.5 Ų145.573%0.73378%0.782SS**SBendtrans-101.87.4-176-83161.5000115.3S701L699-S701 PolarHBondContact O-N 3.18Å
700Y26.1Very low25.8Very low217 Ų217145 Ų14585%0.85178%0.779SS**THydrogen-bonded Turntrans-87.412.9175.9-91.2-73000115.7
701S27.4Very low26.2Very low112 Ų112146.8 Ų146.878%0.78379%0.785SS**THydrogen-bonded Turntrans-114.67.8-176.886.20000117.9L699L699-S701 PolarHBondContact O-N 3.18Å
702S23.5Very low27.3Very low103 Ų103141 Ų14172%0.7276%0.76SS**  trans-121.8124.4176.1650000113.7
703K22.9Very low29Very low198 Ų198138.1 Ų138.186%0.86174%0.741SS**  trans-67.8161.4-168.5-71.1170.7172.6174.80113.8
704S26.7Very low30.6Very low111 Ų111132.6 Ų132.678%0.77671%0.714SS**  trans67.566.4157.762.20000117.6
705C21.6Very low32.2Very low122 Ų122131.2 Ų131.282%0.82470%0.7SS**  trans-126.298142.5-82.60000106.1P707C705-P707 WeakPolarHBondContact O-CD 3.26Å
706L21.4Very low33.8Very low172 Ų172126.5 Ų126.590%0.90167%0.674SS**  trans-65.6103.7169-80.8158.3000107.1F708L706-F708 PolarHBondContact O-N 3.44Å
707P22.8Very low35.9Very low110 Ų110122.2 Ų122.271%0.71465%0.652SS**  trans-83.1116.8174.79.512000106.3C705 R709C705-P707 WeakPolarHBondContact O-CD 3.26Å; P707-R709 PolarHBondContact O-N 2.91Å
708F22.4Very low37.8Very low203 Ų203115 Ų11589%0.8961%0.613SS**  trans-22.597.6161.6-70.1-96.4000112.9L706 L710L706-F708 PolarHBondContact O-N 3.44Å; F708-L710 PolarHBondContact O-N 3.38Å
709R26.3Very low39.8Very low237 Ų237117 Ų11789%0.89461%0.611SS**  trans-73.2111.6170.5-84-171.1176.2-175.5-2.4108P707 V711P707-R709 PolarHBondContact O-N 2.91Å; R709-V711 PolarHBondContact O-N 3.23Å; R709-V711 VanDerWaalsContact O-N 3.11Å
710L28Very low42.1Very low158 Ų158110.5 Ų110.583%0.82758%0.576SS**  trans-44.5110.2164.9-72.2123.2000109.7F708F708-L710 PolarHBondContact O-N 3.38Å
711V34.7Very low44.4Very low137 Ų137100.1 Ų100.183%0.8354%0.536SS*.  trans-81.6133.4174.7175.60000109R709R709-V711 PolarHBondContact O-N 3.23Å; R709-V711 VanDerWaalsContact O-N 3.11Å
712G52.4Low46.8Very low25 Ų2596.8 Ų96.826%0.25851%0.507SS..SBend134.8-58.2120.600000117.9D715 L716G712-D715 PolarHBondContact N-OD2 3.22Å; G712-D715 CarbonylContact O-C 3.24Å; G712-D715 PolarHBondContact O-N 3.33Å; G712-L716 WeakPolarHBondContact O-CB 3.45Å; G712-L716 PolarHBondContact O-N 3.36Å
713W58.9Low49.1Very low99 Ų9995 Ų9538%0.37549%0.485SS..Hα-helixtrans-72.7-45.9-165.6-87.199.2000113.6R544 L573 D715 L716 Q717R544-W713 HydrophobicContact CB-CH2 3.96Å; R544-W713 HydrophobicContact CB-CZ2 4.08Å; R544-W713 HydrophobicContact CG-CH2 4.03Å; R544-W713 HydrophobicContact CG-CZ2 4.31Å; L573-W713 HydrophobicContact CD2-CE3 3.94Å; L573-W713 HydrophobicContact CD2-CH2 3.82Å; L573-W713 HydrophobicContact CD2-CZ3 3.14Å; L573-W713 HydrophobicContact CG-CZ3 4.36Å; W713-D715 VanDerWaalsContact C-N 3.32Å; W713-L716 PolarHBondContact O-N 3.44Å; W713-Q717 WeakPolarHBondContact O-CG 3.25Å; W713-Q717 PolarHBondContact O-N 3.16Å
714C61.1Low51.5Low47 Ų4785.8 Ų85.832%0.31845%0.445SS..Hα-helixtrans-62.6-43172-60.30000110.5L716 Q717 L718C714-L716 VanDerWaalsContact C-N 3.27Å; C714-L716 PolarHBondContact O-N 3.05Å; C714-Q717 PolarHBondContact O-N 2.96Å; C714-L718 VanDerWaalsContact O-CB 3.29Å; C714-L718 WeakPolarHBondContact O-CB 3.42Å; C714-L718 WeakPolarHBondContact O-CD1 3.49Å; C714-L718 PolarHBondContact O-N 3.39Å
715D63.6Low53.7Low63 Ų6380.5 Ų80.534%0.33741%0.408SS..Hα-helixtrans-60.6-37.3176.7-62.2-31.9000112.1G712 W713 K719G712-D715 PolarHBondContact N-OD2 3.22Å; G712-D715 CarbonylContact O-C 3.24Å; G712-D715 PolarHBondContact O-N 3.33Å; W713-D715 VanDerWaalsContact C-N 3.32Å; D715-K719 WeakPolarHBondContact O-CB 3.34Å; D715-K719 WeakPolarHBondContact O-CG 3.22Å; D715-K719 PolarHBondContact O-N 2.67Å
716L64.1Low56.3Low24 Ų2478.9 Ų78.913%0.12639%0.391CS..Hα-helixtrans-74.2-45.3179.4-173.2140.4000110.5W551 L573 G712 W713 C714 L718 K719 V720W551-L716 HydrophobicContact CD2-CG 4.39Å; W551-L716 HydrophobicContact CG-CD1 3.91Å; W551-L716 HydrophobicContact CG-CD2 4.41Å; W551-L716 HydrophobicContact CG-CG 4.18Å; L573-L716 HydrophobicContact CD1-CD2 3.68Å; L573-L716 HydrophobicContact CD2-CD2 3.2Å; L573-L716 HydrophobicContact CG-CD2 4.09Å; G712-L716 WeakPolarHBondContact O-CB 3.45Å; G712-L716 PolarHBondContact O-N 3.36Å; W713-L716 PolarHBondContact O-N 3.44Å; C714-L716 VanDerWaalsContact C-N 3.27Å; C714-L716 PolarHBondContact O-N 3.05Å; L716-L718 VanDerWaalsContact C-N 3.33Å; L716-L718 PolarHBondContact O-N 3.12Å; L716-K719 PolarHBondContact O-N 3.03Å; L716-V720 HydrophobicContact CD2-CG2 4.12Å; L716-V720 WeakPolarHBondContact O-CG2 3.3Å; L716-V720 PolarHBondContact O-N 3.32Å
717Q67.5Low58.7Low36 Ų3672.8 Ų72.817%0.16836%0.358CS..Hα-helixtrans-56.1-47.8171.5-73.6174.6-28.800111.3L573 I575 W713 C714 K719 V720 I721 W759L573-Q717 HydrophobicContact CB-CG 4.38Å; L573-Q717 PolarHBondContact O-NE2 3.32Å; I575-Q717 HydrophobicContact CD1-CB 4.23Å; I575-Q717 HydrophobicContact CD1-CG 4.13Å; I575-Q717 HydrophobicContact CG1-CG 4.14Å; W713-Q717 WeakPolarHBondContact O-CG 3.25Å; W713-Q717 PolarHBondContact O-N 3.16Å; C714-Q717 PolarHBondContact O-N 2.96Å; Q717-K719 PolarHBondContact O-N 3.24Å; Q717-V720 WeakPolarHBondContact O-CB 3.28Å; Q717-V720 PolarHBondContact O-N 3.35Å; Q717-I721 WeakPolarHBondContact O-CG1 3.36Å; Q717-I721 PolarHBondContact O-N 3.45Å; Q717-W759 HydrophobicContact CB-CZ2 3.95Å
718L70.4Confident61Low10 Ų1069.4 Ų69.45%0.05233%0.331CS..Hα-helixtrans-57.3-49.1174.3-90155.8000111.9C714 L716 V720 I721 F722 V755 W759 Y762 L763C714-L718 VanDerWaalsContact O-CB 3.29Å; C714-L718 WeakPolarHBondContact O-CB 3.42Å; C714-L718 WeakPolarHBondContact O-CD1 3.49Å; C714-L718 PolarHBondContact O-N 3.39Å; L716-L718 VanDerWaalsContact C-N 3.33Å; L716-L718 PolarHBondContact O-N 3.12Å; L718-V720 VanDerWaalsContact C-N 3.29Å; L718-V720 PolarHBondContact O-N 2.79Å; L718-I721 PolarHBondContact O-N 2.96Å; L718-F722 HydrophobicContact CB-CD2 4.49Å; L718-F722 HydrophobicContact CD2-CD2 4.27Å; L718-F722 HydrophobicContact CD2-CE2 3.83Å; L718-F722 WeakPolarHBondContact O-CB 3.49Å; L718-F722 WeakPolarHBondContact O-CD2 3.31Å; L718-F722 PolarHBondContact O-N 2.95Å; L718-V755 HydrophobicContact CD2-CG1 4.42Å; L718-W759 HydrophobicContact CD1-CB 3.87Å; L718-W759 HydrophobicContact CD1-CG 3.76Å; L718-W759 HydrophobicContact CD2-CB 3.71Å; L718-W759 HydrophobicContact CD2-CD2 4.18Å; L718-W759 HydrophobicContact CD2-CE3 4.41Å; L718-W759 HydrophobicContact CD2-CG 3.91Å; L718-W759 HydrophobicContact CG-CB 3.96Å; L718-W759 HydrophobicContact CG-CD2 3.98Å; L718-W759 HydrophobicContact CG-CG 3.68Å; L718-Y762 VanDerWaalsContact CD1-CB 3.41Å; L718-Y762 HydrophobicContact CD1-CG 4.06Å; L718-L763 HydrophobicContact CD2-CD2 4.07Å; L718-L763 HydrophobicContact CD2-CG 4.46Å
719K70.2Confident63.3Low134 Ų13461.6 Ų61.658%0.58330%0.297SS*.Hα-helixtrans-61.2-37.1177.7-77.8173.6179.9-1790112.4W551 D715 L716 Q717 Y723W551-K719 HydrophobicContact CH2-CB 4.11Å; W551-K719 HydrophobicContact CZ2-CB 3.64Å; D715-K719 WeakPolarHBondContact O-CB 3.34Å; D715-K719 WeakPolarHBondContact O-CG 3.22Å; D715-K719 PolarHBondContact O-N 2.67Å; L716-K719 PolarHBondContact O-N 3.03Å; Q717-K719 PolarHBondContact O-N 3.24Å; K719-Y723 VanDerWaalsContact O-CB 3.28Å; K719-Y723 WeakPolarHBondContact O-CB 3.21Å; K719-Y723 PolarHBondContact O-N 2.85Å
720V71.5Confident65.4Low2 Ų254.6 Ų54.61%0.01229%0.29CS..Hα-helixtrans-64.2-49.1175.9178.80000110.5W551 L569 F570 L573 I575 L716 Q717 L718 F722 Y723 L724W551-V720 HydrophobicContact CD2-CG2 3.83Å; W551-V720 HydrophobicContact CE3-CB 4.23Å; W551-V720 HydrophobicContact CE3-CG2 3.25Å; W551-V720 HydrophobicContact CH2-CB 4.03Å; W551-V720 HydrophobicContact CH2-CG2 3.6Å; W551-V720 HydrophobicContact CZ2-CG2 4.14Å; W551-V720 VanDerWaalsContact CZ3-CA 3.44Å; W551-V720 HydrophobicContact CZ3-CB 3.64Å; W551-V720 HydrophobicContact CZ3-CG1 3.99Å; W551-V720 HydrophobicContact CZ3-CG2 3.11Å; L569-V720 HydrophobicContact CD2-CG1 3.7Å; L569-V720 HydrophobicContact CD2-CG2 4.47Å; F570-V720 HydrophobicContact CE1-CG1 4.2Å; L573-V720 HydrophobicContact CD1-CB 4.1Å; L573-V720 HydrophobicContact CD1-CG1 4.19Å; L573-V720 HydrophobicContact CD1-CG2 3.33Å; I575-V720 HydrophobicContact CD1-CB 4.3Å; I575-V720 HydrophobicContact CD1-CG1 4.21Å; L716-V720 HydrophobicContact CD2-CG2 4.12Å; L716-V720 WeakPolarHBondContact O-CG2 3.3Å; L716-V720 PolarHBondContact O-N 3.32Å; Q717-V720 WeakPolarHBondContact O-CB 3.28Å; Q717-V720 PolarHBondContact O-N 3.35Å; L718-V720 VanDerWaalsContact C-N 3.29Å; L718-V720 PolarHBondContact O-N 2.79Å; V720-F722 PolarHBondContact O-N 3.26Å; V720-Y723 WeakPolarHBondContact O-CB 3.15Å; V720-Y723 PolarHBondContact O-N 3.21Å; V720-L724 HydrophobicContact CG1-CD1 4.23Å; V720-L724 WeakPolarHBondContact O-CG 3.29Å; V720-L724 PolarHBondContact O-N 3.45Å
721I74.6Confident67.3Low0 Ų053.8 Ų53.80%028%0.28CS..Hα-helixtrans-67.3-39.7-179.1-60.6167.4000110.5I575 Q717 L718 Y723 L724 I725 Y751 V755 W759I575-I721 HydrophobicContact CD1-CD1 4.48Å; I575-I721 HydrophobicContact CD1-CG1 4.27Å; I575-I721 HydrophobicContact CG2-CD1 4.32Å; I575-I721 HydrophobicContact CG2-CG1 4.42Å; Q717-I721 WeakPolarHBondContact O-CG1 3.36Å; Q717-I721 PolarHBondContact O-N 3.45Å; L718-I721 PolarHBondContact O-N 2.96Å; I721-Y723 PolarHBondContact O-N 3.29Å; I721-L724 PolarHBondContact O-N 3.25Å; I721-I725 HydrophobicContact CG2-CD1 4.03Å; I721-I725 HydrophobicContact CG2-CG1 4.4Å; I721-I725 WeakPolarHBondContact O-CG1 3.41Å; I721-I725 PolarHBondContact O-N 3Å; I721-Y751 HydrophobicContact CG2-CD1 4.32Å; I721-V755 HydrophobicContact CB-CG2 4.09Å; I721-V755 HydrophobicContact CG2-CG2 3.32Å; I721-W759 HydrophobicContact CD1-CE3 4.31Å; I721-W759 HydrophobicContact CD1-CH2 3.28Å; I721-W759 HydrophobicContact CD1-CZ2 4.29Å; I721-W759 HydrophobicContact CD1-CZ3 3.29Å
722F77.4Confident68.8Low42 Ų4247.8 Ų47.818%0.18424%0.243CC..Hα-helixtrans-63.7-38.6173.2-87.2-58000113.4L718 V720 L724 I725 N726 V755 L763 S767L718-F722 HydrophobicContact CB-CD2 4.49Å; L718-F722 HydrophobicContact CD2-CD2 4.27Å; L718-F722 HydrophobicContact CD2-CE2 3.83Å; L718-F722 WeakPolarHBondContact O-CB 3.49Å; L718-F722 WeakPolarHBondContact O-CD2 3.31Å; L718-F722 PolarHBondContact O-N 2.95Å; V720-F722 PolarHBondContact O-N 3.26Å; F722-L724 VanDerWaalsContact C-N 3.32Å; F722-I725 HydrophobicContact CD1-CD1 4.44Å; F722-I725 PolarHBondContact O-N 3.24Å; F722-N726 WeakPolarHBondContact O-CB 3.03Å; F722-N726 PolarHBondContact O-N 2.82Å; F722-N726 PolarHBondContact O-ND2 3.48Å; F722-N726 VanDerWaalsContact O-ND2 3.11Å; F722-V755 HydrophobicContact CE1-CG1 4.38Å; F722-V755 HydrophobicContact CE2-CG1 4.4Å; F722-V755 HydrophobicContact CZ-CG1 3.96Å; F722-L763 HydrophobicContact CE1-CD2 4.39Å; F722-L763 HydrophobicContact CE2-CD2 3.52Å; F722-L763 HydrophobicContact CZ-CD2 3.2Å; F722-S767 VanDerWaalsContact CZ-CB 3.46Å
723Y73.4Confident69.6Low65 Ų6551 Ų5126%0.25525%0.254SS..Hα-helixtrans-58.9-46.7173.3175.3-93.2000110.5L554 K719 V720 I721 N726 E727L554-Y723 HydrophobicContact CD1-CE1 4.08Å; L554-Y723 HydrophobicContact CD2-CD1 3.81Å; L554-Y723 HydrophobicContact CD2-CE1 3.73Å; L554-Y723 HydrophobicContact CD2-CG 4.26Å; L554-Y723 HydrophobicContact CG-CE1 4.2Å; K719-Y723 VanDerWaalsContact O-CB 3.28Å; K719-Y723 WeakPolarHBondContact O-CB 3.21Å; K719-Y723 PolarHBondContact O-N 2.85Å; V720-Y723 WeakPolarHBondContact O-CB 3.15Å; V720-Y723 PolarHBondContact O-N 3.21Å; I721-Y723 PolarHBondContact O-N 3.29Å; Y723-N726 PolarHBondContact O-N 3.02Å; Y723-E727 WeakPolarHBondContact O-CB 3.41Å; Y723-E727 PolarHBondContact O-N 2.82Å
724L71.8Confident69.8Low4 Ų447.8 Ų47.82%0.02124%0.244CC..Hα-helixtrans-63.3-46.4177-66.8162000112.1F570 V720 I721 F722 N726 E727 Y728 Y751F570-L724 HydrophobicContact CE1-CD1 3.51Å; F570-L724 HydrophobicContact CZ-CD1 3.41Å; F570-L724 VanDerWaalsContact CZ-CD1 3.41Å; F570-L724 HydrophobicContact CZ-CD2 4.35Å; V720-L724 HydrophobicContact CG1-CD1 4.23Å; V720-L724 WeakPolarHBondContact O-CG 3.29Å; V720-L724 PolarHBondContact O-N 3.45Å; I721-L724 PolarHBondContact O-N 3.25Å; F722-L724 VanDerWaalsContact C-N 3.32Å; L724-N726 VanDerWaalsContact C-N 3.28Å; L724-N726 PolarHBondContact O-N 3.48Å; L724-E727 PolarHBondContact O-N 2.84Å; L724-E727 VanDerWaalsContact O-N 3.15Å; L724-Y728 WeakPolarHBondContact O-CD2 3.28Å; L724-Y728 PolarHBondContact O-N 2.91Å; L724-Y751 HydrophobicContact CD1-CE1 4.29Å
725I73.8Confident69.9Low0 Ų053.7 Ų53.70%027%0.267CS..Hα-helixtrans-54.9-47.7175.6-71.8169.7000110I721 F722 Y728 K729 L748 V755I721-I725 HydrophobicContact CG2-CD1 4.03Å; I721-I725 HydrophobicContact CG2-CG1 4.4Å; I721-I725 WeakPolarHBondContact O-CG1 3.41Å; I721-I725 PolarHBondContact O-N 3Å; F722-I725 HydrophobicContact CD1-CD1 4.44Å; F722-I725 PolarHBondContact O-N 3.24Å; I725-Y728 PolarHBondContact O-N 2.95Å; I725-K729 HydrophobicContact CG2-CD 4.02Å; I725-K729 VanDerWaalsContact CG2-CE 3.48Å; I725-K729 HydrophobicContact CG2-CG 4.47Å; I725-K729 WeakPolarHBondContact O-CB 3.42Å; I725-K729 WeakPolarHBondContact O-CG 3.45Å; I725-K729 PolarHBondContact O-N 2.99Å; I725-L748 HydrophobicContact CB-CD1 4.45Å; I725-L748 HydrophobicContact CG1-CD1 4.5Å; I725-L748 HydrophobicContact CG2-CD1 4.11Å; I725-V755 HydrophobicContact CD1-CB 4.45Å; I725-V755 HydrophobicContact CD1-CG2 3.64Å
726N76.8Confident69.9Low89 Ų8954.7 Ų54.748%0.47627%0.272SS..Hα-helixtrans-67.8-34.9179.6-69.7-29.5000112.8F722 Y723 L724 K729 A730F722-N726 WeakPolarHBondContact O-CB 3.03Å; F722-N726 PolarHBondContact O-N 2.82Å; F722-N726 PolarHBondContact O-ND2 3.48Å; F722-N726 VanDerWaalsContact O-ND2 3.11Å; Y723-N726 PolarHBondContact O-N 3.02Å; L724-N726 VanDerWaalsContact C-N 3.28Å; L724-N726 PolarHBondContact O-N 3.48Å; N726-K729 PolarHBondContact O-N 2.79Å; N726-A730 WeakPolarHBondContact O-CB 3.37Å; N726-A730 PolarHBondContact O-N 3.15Å
727E71Confident69.6Low44 Ų4455.2 Ų55.221%0.20628%0.275CS..Hα-helixtrans-66.7-45.8176.1-161.2-148.615200111.2Y723 L724 A730 K731Y723-E727 WeakPolarHBondContact O-CB 3.41Å; Y723-E727 PolarHBondContact O-N 2.82Å; L724-E727 PolarHBondContact O-N 2.84Å; L724-E727 VanDerWaalsContact O-N 3.15Å; E727-A730 PolarHBondContact O-N 3.33Å; E727-K731 WeakPolarHBondContact O-CG 3.34Å; E727-K731 PolarHBondContact O-N 3.14Å; E727-K731 VanDerWaalsContact OE1-CE 3.26Å; E727-K731 WeakPolarHBondContact OE1-CE 3.25Å; E727-K731 IonicContact OE1-NZ 2.83Å; E727-K731 PolarHBondContact OE1-NZ 3.13Å
728Y70.3Confident69.3Low38 Ų3859.1 Ų59.115%0.14931%0.306CS..Hα-helixtrans-64.1-40.3174.5-81-70.2000111.6L724 I725 A730 K731 I732 I744 Y751L724-Y728 WeakPolarHBondContact O-CD2 3.28Å; L724-Y728 PolarHBondContact O-N 2.91Å; I725-Y728 PolarHBondContact O-N 2.95Å; Y728-A730 VanDerWaalsContact C-N 3.33Å; Y728-A730 PolarHBondContact O-N 2.93Å; Y728-K731 PolarHBondContact O-N 2.86Å; Y728-I732 VanDerWaalsContact O-CB 3.31Å; Y728-I732 WeakPolarHBondContact O-CB 3.39Å; Y728-I732 WeakPolarHBondContact O-CD1 3.32Å; Y728-I732 WeakPolarHBondContact O-CG1 3.28Å; Y728-I732 PolarHBondContact O-N 3.27Å; Y728-I744 HydrophobicContact CD1-CG2 3.49Å; Y728-I744 VanDerWaalsContact CD1-CG2 3.49Å; Y728-I744 HydrophobicContact CE1-CG2 3.8Å; Y728-Y751 HydrophobicContact CD2-CD2 4.13Å; Y728-Y751 AromaticContact CD2-CE2 3.93Å; Y728-Y751 HydrophobicContact CD2-CE2 3.93Å; Y728-Y751 HydrophobicContact CE2-CD2 4.16Å; Y728-Y751 AromaticContact CE2-CE2 3.48Å; Y728-Y751 HydrophobicContact CE2-CE2 3.48Å; Y728-Y751 VanDerWaalsContact CE2-CE2 3.48Å
729K71.8Confident68.9Low40 Ų4066.3 Ų66.317%0.17434%0.34CS..Hα-helixtrans-61.8-36.7171.1-75.4175179.3-170.80113.2I725 N726 K731 I732 L734 L748 S770 D774I725-K729 HydrophobicContact CG2-CD 4.02Å; I725-K729 VanDerWaalsContact CG2-CE 3.48Å; I725-K729 HydrophobicContact CG2-CG 4.47Å; I725-K729 WeakPolarHBondContact O-CB 3.42Å; I725-K729 WeakPolarHBondContact O-CG 3.45Å; I725-K729 PolarHBondContact O-N 2.99Å; N726-K729 PolarHBondContact O-N 2.79Å; K729-K731 VanDerWaalsContact C-N 3.35Å; K729-I732 CarbonylContact O-C 3.59Å; K729-I732 PolarHBondContact O-N 3.04Å; K729-L734 HydrophobicContact CG-CD1 4.12Å; K729-L748 HydrophobicContact CG-CD1 4.48Å; K729-S770 PolarHBondContact NZ-OG 3.43Å; K729-D774 WeakPolarHBondContact CE-OD1 3.49Å; K729-D774 WeakPolarHBondContact CE-OD2 3.25Å; K729-D774 IonicContact NZ-OD1 2.76Å; K729-D774 PolarHBondContact NZ-OD1 3.1Å; K729-D774 IonicContact NZ-OD2 2.8Å; K729-D774 PolarHBondContact NZ-OD2 2.7Å
730A69.4Low68.7Low89 Ų8960.8 Ų60.874%0.73632%0.316SS*.Hα-helixtrans-72-32.7178.400000111.9N726 E727 Y728 I732N726-A730 WeakPolarHBondContact O-CB 3.37Å; N726-A730 PolarHBondContact O-N 3.15Å; E727-A730 PolarHBondContact O-N 3.33Å; Y728-A730 VanDerWaalsContact C-N 3.33Å; Y728-A730 PolarHBondContact O-N 2.93Å; A730-I732 VanDerWaalsContact C-N 3.32Å
731K69Low68.5Low141 Ų14163.8 Ų63.861%0.61334%0.336SS*.Hα-helixtrans-72.7-24.6174.7-76.5173.8170.9169.10113.1E727 Y728 K729E727-K731 WeakPolarHBondContact O-CG 3.34Å; E727-K731 PolarHBondContact O-N 3.14Å; E727-K731 VanDerWaalsContact OE1-CE 3.26Å; E727-K731 WeakPolarHBondContact OE1-CE 3.25Å; E727-K731 IonicContact OE1-NZ 2.83Å; E727-K731 PolarHBondContact OE1-NZ 3.13Å; Y728-K731 PolarHBondContact O-N 2.86Å; K729-K731 VanDerWaalsContact C-N 3.35Å
732I66.4Low68Low12 Ų1268 Ų686%0.06235%0.352CS..SBendtrans-118.7113.2-171.2-59.1167.3000109.5Y728 K729 A730 L734 I740 I744 L748Y728-I732 VanDerWaalsContact O-CB 3.31Å; Y728-I732 WeakPolarHBondContact O-CB 3.39Å; Y728-I732 WeakPolarHBondContact O-CD1 3.32Å; Y728-I732 WeakPolarHBondContact O-CG1 3.28Å; Y728-I732 PolarHBondContact O-N 3.27Å; K729-I732 CarbonylContact O-C 3.59Å; K729-I732 PolarHBondContact O-N 3.04Å; A730-I732 VanDerWaalsContact C-N 3.32Å; I732-L734 PolarHBondContact O-N 3.18Å; I732-I740 HydrophobicContact CD1-CG2 4.04Å; I732-I740 HydrophobicContact CG1-CG2 4.24Å; I732-I740 HydrophobicContact CG2-CB 4.18Å; I732-I740 HydrophobicContact CG2-CD1 3.3Å; I732-I740 HydrophobicContact CG2-CG1 3.47Å; I732-I740 VanDerWaalsContact CG2-CG1 3.47Å; I732-I740 HydrophobicContact CG2-CG2 3.7Å; I732-I744 HydrophobicContact CD1-CB 4.27Å; I732-I744 HydrophobicContact CD1-CG2 3.29Å; I732-I744 HydrophobicContact CG1-CG2 3.98Å; I732-L748 HydrophobicContact CD1-CD2 4.32Å
733N68.6Low67.2Low91 Ų9170.3 Ų70.349%0.48737%0.366SS..  trans-70.299168.9-16718.8000109E735 D736N733-E735 PolarHBondContact O-N 2.98Å; N733-D736 PolarHBondContact ND2-OD2 2.92Å; N733-D736 PolarHBondContact O-N 3.12Å
734L62Low66.8Low33 Ų3369.4 Ų69.417%0.17337%0.365CS..THydrogen-bonded Turntrans-60.6-10-179.4-80.9164.1000113.5K729 I732 I737 C777 L778K729-L734 HydrophobicContact CG-CD1 4.12Å; I732-L734 PolarHBondContact O-N 3.18Å; L734-I737 WeakPolarHBondContact O-CG1 3.41Å; L734-C777 HydrophobicContact CD2-CB 4.33Å; L734-L778 HydrophobicContact CD2-CD2 3.87Å; L734-L778 HydrophobicContact CD2-CG 4.11Å
735E63.9Low66.6Low171 Ų17169.2 Ų69.280%0.79936%0.364SS*.THydrogen-bonded Turntrans-74.9-28.4171.6-62.1-170.7166.500112.6N733 I737N733-E735 PolarHBondContact O-N 2.98Å; E735-I737 PolarHBondContact O-N 2.68Å
736D63.9Low66.3Low83 Ų8372.6 Ų72.644%0.44438%0.382SS..  trans-103.653.3-177.1-62.2-45.6000111.6N733 S738 E739N733-D736 PolarHBondContact ND2-OD2 2.92Å; N733-D736 PolarHBondContact O-N 3.12Å; D736-S738 PolarHBondContact O-N 2.91Å; D736-E739 PolarHBondContact O-N 3.18Å
737I58.5Low65.6Low36 Ų3672 Ų7219%0.18538%0.375CS..G310 helixtrans-55.1-28.2-169.4-55.9160.9000113.2L734 E735 E739 I740 C777 V780 L781L734-I737 WeakPolarHBondContact O-CG1 3.41Å; E735-I737 PolarHBondContact O-N 2.68Å; I737-E739 VanDerWaalsContact C-N 3.32Å; I737-E739 PolarHBondContact O-N 2.77Å; I737-I740 HydrophobicContact CB-CD1 4.42Å; I737-I740 HydrophobicContact CG2-CD1 4.34Å; I737-C777 HydrophobicContact CD1-CB 4.24Å; I737-C777 WeakPolarHBondContact CD1-O 3.4Å; I737-V780 HydrophobicContact CG2-CB 4.12Å; I737-L781 HydrophobicContact CG2-CD2 4.01Å; I737-L781 HydrophobicContact CG2-CG 4.16Å; I737-L781 WeakPolarHBondContact O-CD2 3.48Å
738S61.1Low65.5Low117 Ų11769.9 Ų69.982%0.81837%0.365SS*.G310 helixtrans-71.3-20.2-179.449.70000114.8D736D736-S738 PolarHBondContact O-N 2.91Å
739E61.4Low65.5Low162 Ų16269.7 Ų69.776%0.75737%0.366SS*.G310 helixtrans-99.7-3.6-177-64.2-169.2172.600113.3D736 I737 P741D736-E739 PolarHBondContact O-N 3.18Å; I737-E739 VanDerWaalsContact C-N 3.32Å; I737-E739 PolarHBondContact O-N 2.77Å; E739-P741 WeakPolarHBondContact O-CD 3.5Å
740I65.2Low65.4Low18 Ų1868.5 Ų68.59%0.09237%0.365CS..SBendtrans-70.3125.4-176.7-50.1176.2000109.4I732 I737 W742 L778 L781I732-I740 HydrophobicContact CD1-CG2 4.04Å; I732-I740 HydrophobicContact CG1-CG2 4.24Å; I732-I740 HydrophobicContact CG2-CB 4.18Å; I732-I740 HydrophobicContact CG2-CD1 3.3Å; I732-I740 HydrophobicContact CG2-CG1 3.47Å; I732-I740 VanDerWaalsContact CG2-CG1 3.47Å; I732-I740 HydrophobicContact CG2-CG2 3.7Å; I737-I740 HydrophobicContact CB-CD1 4.42Å; I737-I740 HydrophobicContact CG2-CD1 4.34Å; I740-W742 PolarHBondContact O-N 2.78Å; I740-L778 HydrophobicContact CD1-CD2 4.38Å; I740-L781 HydrophobicContact CB-CD2 3.78Å; I740-L781 HydrophobicContact CD1-CD2 4.17Å; I740-L781 HydrophobicContact CG1-CD2 4.37Å; I740-L781 HydrophobicContact CG2-CD2 4.32Å
741P67.3Low65.4Low65 Ų6565.4 Ų65.442%0.42234%0.335SS..  trans-57126.2171.7-23.934.5000110.9E739 D743 I744 G745E739-P741 WeakPolarHBondContact O-CD 3.5Å; P741-D743 VanDerWaalsContact C-N 3.26Å; P741-D743 WeakPolarHBondContact CB-OD1 3.41Å; P741-D743 PolarHBondContact O-N 3.13Å; P741-I744 HydrophobicContact CB-CD1 3.98Å; P741-I744 HydrophobicContact CB-CG1 4.07Å; P741-I744 HydrophobicContact CG-CD1 3.94Å; P741-I744 PolarHBondContact O-N 2.99Å; P741-G745 PolarHBondContact O-N 2.87Å; P741-G745 VanDerWaalsContact O-N 3.08Å
742W65Low65.4Low88 Ų8858.7 Ų58.733%0.33331%0.306SS..Hα-helixtrans-54.7-39.4-171.5173.4-109.6000113.7I740 I744 G745 L746 L781 C783I740-W742 PolarHBondContact O-N 2.78Å; W742-I744 PolarHBondContact O-N 3.37Å; W742-G745 PolarHBondContact O-N 2.81Å; W742-L746 HydrophobicContact CD2-CD1 4.32Å; W742-L746 HydrophobicContact CD2-CG 4.37Å; W742-L746 HydrophobicContact CH2-CD2 4.33Å; W742-L746 HydrophobicContact CZ2-CD1 3.86Å; W742-L746 HydrophobicContact CZ2-CD2 3.99Å; W742-L746 HydrophobicContact CZ2-CG 4.02Å; W742-L746 VanDerWaalsContact NE1-CD1 3.3Å; W742-L746 PolarHBondContact O-N 3Å; W742-L781 HydrophobicContact CE3-CB 3.97Å; W742-L781 HydrophobicContact CZ3-CB 3.68Å; W742-C783 HydrophobicContact CZ2-CB 4.45Å
743D60.4Low65.5Low90 Ų9063.3 Ų63.348%0.48133%0.325SS..Hα-helixtrans-63.4-39.4178.564.5-47.7000112.7P741 K747P741-D743 VanDerWaalsContact C-N 3.26Å; P741-D743 WeakPolarHBondContact CB-OD1 3.41Å; P741-D743 PolarHBondContact O-N 3.13Å; D743-K747 WeakPolarHBondContact O-CG 3.43Å; D743-K747 PolarHBondContact O-N 3.4Å
744I66.1Low65.3Low46 Ų4660.8 Ų60.824%0.23632%0.315CS..Hα-helixtrans-71.7-42.7177.1-54.3-179000109.9Y728 I732 P741 W742 L746 K747 L748Y728-I744 HydrophobicContact CD1-CG2 3.49Å; Y728-I744 VanDerWaalsContact CD1-CG2 3.49Å; Y728-I744 HydrophobicContact CE1-CG2 3.8Å; I732-I744 HydrophobicContact CD1-CB 4.27Å; I732-I744 HydrophobicContact CD1-CG2 3.29Å; I732-I744 HydrophobicContact CG1-CG2 3.98Å; P741-I744 HydrophobicContact CB-CD1 3.98Å; P741-I744 HydrophobicContact CB-CG1 4.07Å; P741-I744 HydrophobicContact CG-CD1 3.94Å; P741-I744 PolarHBondContact O-N 2.99Å; W742-I744 PolarHBondContact O-N 3.37Å; I744-L746 PolarHBondContact O-N 3.28Å; I744-K747 PolarHBondContact O-N 2.9Å; I744-L748 PolarHBondContact O-N 2.98Å; I744-L748 VanDerWaalsContact O-N 3.09Å
745G65.8Low65.6Low0 Ų059.2 Ų59.20%031%0.307CS..Hα-helixtrans-57.2-46.517600000112.7P741 W742 K747 L748 I749P741-G745 PolarHBondContact O-N 2.87Å; P741-G745 VanDerWaalsContact O-N 3.08Å; W742-G745 PolarHBondContact O-N 2.81Å; G745-K747 PolarHBondContact O-N 2.81Å; G745-L748 PolarHBondContact O-N 2.5Å; G745-I749 WeakPolarHBondContact O-CG1 3.28Å; G745-I749 PolarHBondContact O-N 2.95Å
746L67.7Low65.6Low72 Ų7252.9 Ų52.938%0.37728%0.278SS..Hα-helixtrans-62.5-39.3177.1-79.2175.9000113.3W742 I744 I749 G750W742-L746 HydrophobicContact CD2-CD1 4.32Å; W742-L746 HydrophobicContact CD2-CG 4.37Å; W742-L746 HydrophobicContact CH2-CD2 4.33Å; W742-L746 HydrophobicContact CZ2-CD1 3.86Å; W742-L746 HydrophobicContact CZ2-CD2 3.99Å; W742-L746 HydrophobicContact CZ2-CG 4.02Å; W742-L746 VanDerWaalsContact NE1-CD1 3.3Å; W742-L746 PolarHBondContact O-N 3Å; I744-L746 PolarHBondContact O-N 3.28Å; L746-I749 PolarHBondContact O-N 3.46Å; L746-G750 PolarHBondContact O-N 2.89Å
747K61.7Low65.6Low75 Ų7555.4 Ų55.433%0.32629%0.292SS..Hα-helixtrans-62.4-45175.4-75.2173.8-177.7169.40111.3D743 I744 G745 G750 Y751D743-K747 WeakPolarHBondContact O-CG 3.43Å; D743-K747 PolarHBondContact O-N 3.4Å; I744-K747 PolarHBondContact O-N 2.9Å; G745-K747 PolarHBondContact O-N 2.81Å; K747-G750 PolarHBondContact O-N 2.75Å; K747-Y751 HydrophobicContact CB-CE2 4.18Å; K747-Y751 WeakPolarHBondContact O-CD2 3.46Å; K747-Y751 PolarHBondContact O-N 3.33Å
748L70.3Confident65.6Low0 Ų057.1 Ų57.10%031%0.307CS..Hα-helixtrans-61.6-44177.6-177.759.8000111.6I725 K729 I732 I744 G745 G750 Y751 C752 L778I725-L748 HydrophobicContact CB-CD1 4.45Å; I725-L748 HydrophobicContact CG1-CD1 4.5Å; I725-L748 HydrophobicContact CG2-CD1 4.11Å; K729-L748 HydrophobicContact CG-CD1 4.48Å; I732-L748 HydrophobicContact CD1-CD2 4.32Å; I744-L748 PolarHBondContact O-N 2.98Å; I744-L748 VanDerWaalsContact O-N 3.09Å; G745-L748 PolarHBondContact O-N 2.5Å; L748-G750 VanDerWaalsContact C-N 3.33Å; L748-G750 PolarHBondContact O-N 3.26Å; L748-Y751 PolarHBondContact O-N 3.45Å; L748-C752 PolarHBondContact O-N 3.43Å; L748-C752 PolarHBondContact O-SG 2.96Å; L748-L778 HydrophobicContact CB-CD1 4.2Å; L748-L778 HydrophobicContact CD2-CD1 3.61Å; L748-L778 HydrophobicContact CD2-CD2 4.18Å; L748-L778 HydrophobicContact CD2-CG 4.45Å; L748-L778 HydrophobicContact CG-CD1 3.71Å
749I70.1Confident65.8Low34 Ų3452.9 Ų52.917%0.17427%0.273CS..Hα-helixtrans-56.5-47.9173.2-69.1169.8000110.5G745 L746 Y751 C752 F753 L775 L778 L781G745-I749 WeakPolarHBondContact O-CG1 3.28Å; G745-I749 PolarHBondContact O-N 2.95Å; L746-I749 PolarHBondContact O-N 3.46Å; I749-Y751 PolarHBondContact O-N 2.72Å; I749-C752 PolarHBondContact O-N 3.14Å; I749-F753 HydrophobicContact CG2-CD2 3.53Å; I749-F753 HydrophobicContact CG2-CE2 3.4Å; I749-F753 VanDerWaalsContact CG2-CE2 3.4Å; I749-F753 VanDerWaalsContact O-CD2 3.31Å; I749-F753 WeakPolarHBondContact O-CD2 3.48Å; I749-F753 PolarHBondContact O-N 3.33Å; I749-L775 HydrophobicContact CB-CD2 4.26Å; I749-L775 HydrophobicContact CG1-CD2 4.28Å; I749-L775 HydrophobicContact CG2-CD2 3.89Å; I749-L778 HydrophobicContact CD1-CB 4Å; I749-L778 HydrophobicContact CG1-CB 3.83Å; I749-L778 HydrophobicContact CG1-CD1 3.8Å; I749-L778 HydrophobicContact CG1-CG 4.38Å; I749-L781 HydrophobicContact CD1-CD1 4.44Å
750G68.8Low65.6Low15 Ų1549 Ų4916%0.15526%0.261CS..Hα-helixtrans-59.3-44.3178.700000113.3L746 K747 L748 F753 S754L746-G750 PolarHBondContact O-N 2.89Å; K747-G750 PolarHBondContact O-N 2.75Å; L748-G750 VanDerWaalsContact C-N 3.33Å; L748-G750 PolarHBondContact O-N 3.26Å; G750-F753 PolarHBondContact O-N 3.02Å; G750-S754 WeakPolarHBondContact O-CB 3.31Å; G750-S754 PolarHBondContact O-N 3.47Å
751Y69.9Low65.5Low25 Ų2556.5 Ų56.510%0.09830%0.296CS..Hα-helixtrans-65.9-43.1176.7-66.6-54.6000112.4I721 L724 Y728 K747 L748 I749 F753 S754 V755I721-Y751 HydrophobicContact CG2-CD1 4.32Å; L724-Y751 HydrophobicContact CD1-CE1 4.29Å; Y728-Y751 HydrophobicContact CD2-CD2 4.13Å; Y728-Y751 AromaticContact CD2-CE2 3.93Å; Y728-Y751 HydrophobicContact CD2-CE2 3.93Å; Y728-Y751 HydrophobicContact CE2-CD2 4.16Å; Y728-Y751 AromaticContact CE2-CE2 3.48Å; Y728-Y751 HydrophobicContact CE2-CE2 3.48Å; Y728-Y751 VanDerWaalsContact CE2-CE2 3.48Å; K747-Y751 HydrophobicContact CB-CE2 4.18Å; K747-Y751 WeakPolarHBondContact O-CD2 3.46Å; K747-Y751 PolarHBondContact O-N 3.33Å; L748-Y751 PolarHBondContact O-N 3.45Å; I749-Y751 PolarHBondContact O-N 2.72Å; Y751-F753 PolarHBondContact O-N 3.2Å; Y751-S754 PolarHBondContact O-N 3.35Å; Y751-V755 WeakPolarHBondContact O-CG2 3.37Å; Y751-V755 PolarHBondContact O-N 2.81Å
752C68.5Low65.4Low0 Ų060 Ų600%030%0.302CS..Hα-helixtrans-60.8-43.8176.8-72.90000111.9L748 I749 V755 L756 C771 L775L748-C752 PolarHBondContact O-N 3.43Å; L748-C752 PolarHBondContact O-SG 2.96Å; I749-C752 PolarHBondContact O-N 3.14Å; C752-V755 PolarHBondContact O-N 2.92Å; C752-L756 VanDerWaalsContact O-CG 3.32Å; C752-L756 WeakPolarHBondContact O-CG 3.31Å; C752-L756 PolarHBondContact O-N 3.27Å; C752-L756 VanDerWaalsContact O-N 3.08Å; C752-C771 HydrophobicContact CB-CB 4.35Å; C752-L775 HydrophobicContact CB-CD1 4.26Å; C752-L775 HydrophobicContact CB-CD2 3.99Å; C752-L775 HydrophobicContact CB-CG 3.96Å
753F69.3Low65.4Low109 Ų10956.7 Ų56.748%0.47829%0.291SS..Hα-helixtrans-65.3-42.1175.1-79.8-54.8000112.6I749 G750 Y751 V755 L756 D757 L775I749-F753 HydrophobicContact CG2-CD2 3.53Å; I749-F753 HydrophobicContact CG2-CE2 3.4Å; I749-F753 VanDerWaalsContact CG2-CE2 3.4Å; I749-F753 VanDerWaalsContact O-CD2 3.31Å; I749-F753 WeakPolarHBondContact O-CD2 3.48Å; I749-F753 PolarHBondContact O-N 3.33Å; G750-F753 PolarHBondContact O-N 3.02Å; Y751-F753 PolarHBondContact O-N 3.2Å; F753-V755 VanDerWaalsContact C-N 3.27Å; F753-V755 PolarHBondContact O-N 3.14Å; F753-L756 PolarHBondContact O-N 2.84Å; F753-D757 VanDerWaalsContact O-CB 3.32Å; F753-D757 WeakPolarHBondContact O-CB 3.47Å; F753-D757 PolarHBondContact O-N 3.3Å; F753-L775 HydrophobicContact CD1-CD1 3.99Å; F753-L775 HydrophobicContact CD2-CD2 4.09Å; F753-L775 HydrophobicContact CE1-CD1 3.71Å; F753-L775 HydrophobicContact CE1-CD2 4.4Å; F753-L775 HydrophobicContact CE2-CD2 3.78Å; F753-L775 HydrophobicContact CZ-CD1 4.02Å; F753-L775 HydrophobicContact CZ-CD2 3.94Å
754S65.2Low66.1Low38 Ų3856.4 Ų56.427%0.26629%0.289SS..Hα-helixtrans-57.8-42.2176.5-179.60000111.6G750 Y751 S758 W759G750-S754 WeakPolarHBondContact O-CB 3.31Å; G750-S754 PolarHBondContact O-N 3.47Å; Y751-S754 PolarHBondContact O-N 3.35Å; S754-S758 VanDerWaalsContact O-CB 3.24Å; S754-S758 WeakPolarHBondContact O-CB 3.43Å; S754-S758 PolarHBondContact O-N 2.75Å; S754-S758 PolarHBondContact O-OG 3.15Å; S754-W759 WeakPolarHBondContact O-CZ3 3.47Å
755V66.9Low66.3Low0 Ų062.4 Ų62.40%031%0.314CS..Hα-helixtrans-61.1-53.6175.2172.10000111.4L718 I721 F722 I725 Y751 C752 F753 D757 W759 L763L718-V755 HydrophobicContact CD2-CG1 4.42Å; I721-V755 HydrophobicContact CB-CG2 4.09Å; I721-V755 HydrophobicContact CG2-CG2 3.32Å; F722-V755 HydrophobicContact CE1-CG1 4.38Å; F722-V755 HydrophobicContact CE2-CG1 4.4Å; F722-V755 HydrophobicContact CZ-CG1 3.96Å; I725-V755 HydrophobicContact CD1-CB 4.45Å; I725-V755 HydrophobicContact CD1-CG2 3.64Å; Y751-V755 WeakPolarHBondContact O-CG2 3.37Å; Y751-V755 PolarHBondContact O-N 2.81Å; C752-V755 PolarHBondContact O-N 2.92Å; F753-V755 VanDerWaalsContact C-N 3.27Å; F753-V755 PolarHBondContact O-N 3.14Å; V755-D757 VanDerWaalsContact C-N 3.34Å; V755-D757 PolarHBondContact O-N 2.99Å; V755-W759 PolarHBondContact O-N 3.31Å; V755-L763 HydrophobicContact CG1-CD1 3.58Å; V755-L763 HydrophobicContact CG1-CD2 3.3Å; V755-L763 HydrophobicContact CG1-CG 4.01Å; V755-L763 WeakPolarHBondContact O-CD1 3.34Å
756L64.7Low66.8Low37 Ų3768 Ų6819%0.19434%0.344CS..Hα-helixtrans-64.6-35.7-174.9-69.8170.2000113.2C752 F753 C768 C771 M772 L775C752-L756 VanDerWaalsContact O-CG 3.32Å; C752-L756 WeakPolarHBondContact O-CG 3.31Å; C752-L756 PolarHBondContact O-N 3.27Å; C752-L756 VanDerWaalsContact O-N 3.08Å; F753-L756 PolarHBondContact O-N 2.84Å; L756-C768 HydrophobicContact CD2-CB 4.36Å; L756-C771 HydrophobicContact CD1-CB 4.19Å; L756-C771 HydrophobicContact CD2-CB 4.23Å; L756-C771 HydrophobicContact CG-CB 4.19Å; L756-M772 HydrophobicContact CD1-CG 4.24Å; L756-M772 HydrophobicContact CD1-SD 3.66Å; L756-M772 HydrophobicContact CD2-CG 4.48Å; L756-L775 HydrophobicContact CD1-CD1 3.64Å
757D63.8Low67Low137 Ų13766 Ų6673%0.73334%0.336SS*.Hα-helixtrans-85.5-43.2-176-164.336.8000112.4F753 V755 P760F753-D757 VanDerWaalsContact O-CB 3.32Å; F753-D757 WeakPolarHBondContact O-CB 3.47Å; F753-D757 PolarHBondContact O-N 3.3Å; V755-D757 VanDerWaalsContact C-N 3.34Å; V755-D757 PolarHBondContact O-N 2.99Å; D757-P760 WeakPolarHBondContact O-CD 3.38Å
758S57.8Low67.4Low71 Ų7164 Ų6450%0.49733%0.331SS..Hα-helixtrans-87.2-24.1-172.3-62.80000114.5S754 P760S754-S758 VanDerWaalsContact O-CB 3.24Å; S754-S758 WeakPolarHBondContact O-CB 3.43Å; S754-S758 PolarHBondContact O-N 2.75Å; S754-S758 PolarHBondContact O-OG 3.15Å; S758-P760 VanDerWaalsContact C-CD 3.47Å
759W66.6Low67.5Low28 Ų2867.9 Ų67.911%0.10635%0.35CS..  trans-132.242.6-176.8-62.2-83.7000115.4Q717 L718 I721 S754 V755 E761 Y762 L763Q717-W759 HydrophobicContact CB-CZ2 3.95Å; L718-W759 HydrophobicContact CD1-CB 3.87Å; L718-W759 HydrophobicContact CD1-CG 3.76Å; L718-W759 HydrophobicContact CD2-CB 3.71Å; L718-W759 HydrophobicContact CD2-CD2 4.18Å; L718-W759 HydrophobicContact CD2-CE3 4.41Å; L718-W759 HydrophobicContact CD2-CG 3.91Å; L718-W759 HydrophobicContact CG-CB 3.96Å; L718-W759 HydrophobicContact CG-CD2 3.98Å; L718-W759 HydrophobicContact CG-CG 3.68Å; I721-W759 HydrophobicContact CD1-CE3 4.31Å; I721-W759 HydrophobicContact CD1-CH2 3.28Å; I721-W759 HydrophobicContact CD1-CZ2 4.29Å; I721-W759 HydrophobicContact CD1-CZ3 3.29Å; S754-W759 WeakPolarHBondContact O-CZ3 3.47Å; V755-W759 PolarHBondContact O-N 3.31Å; W759-E761 PolarHBondContact O-N 2.91Å; W759-E761 VanDerWaalsContact O-N 3.1Å; W759-Y762 HydrophobicContact CB-CD2 4.43Å; W759-Y762 PolarHBondContact O-N 2.78Å; W759-Y762 VanDerWaalsContact O-N 3.14Å; W759-L763 WeakPolarHBondContact O-CD1 3.4Å; W759-L763 VanDerWaalsContact O-CG 3.31Å; W759-L763 WeakPolarHBondContact O-CG 3.35Å; W759-L763 PolarHBondContact O-N 2.83Å
760P56Low67.9Low80 Ų8068.4 Ų68.452%0.51936%0.357SS..THydrogen-bonded Turntrans-58.6-31.4-175.524.7-34.6000113.5D757 S758D757-P760 WeakPolarHBondContact O-CD 3.38Å; S758-P760 VanDerWaalsContact C-CD 3.47Å
761E64Low68Low177 Ų17767.7 Ų67.783%0.82735%0.35SS*.THydrogen-bonded Turntrans-79.3-22.9-177.8-62.2-172.6173.200114.3W759W759-E761 PolarHBondContact O-N 2.91Å; W759-E761 VanDerWaalsContact O-N 3.1Å
762Y65.1Low68.1Low137 Ų13771.1 Ų71.154%0.53737%0.368SS..THydrogen-bonded Turntrans-96.1-9.3-176.7-65-86.7000112.9L718 W759L718-Y762 VanDerWaalsContact CD1-CB 3.41Å; L718-Y762 HydrophobicContact CD1-CG 4.06Å; W759-Y762 HydrophobicContact CB-CD2 4.43Å; W759-Y762 PolarHBondContact O-N 2.78Å; W759-Y762 VanDerWaalsContact O-N 3.14Å
763L65.5Low68.5Low20 Ų2075.7 Ų75.711%0.10539%0.392CS..SBendtrans-80.2129.9-179.6-71.3161.1000111.1L718 F722 V755 W759 C768L718-L763 HydrophobicContact CD2-CD2 4.07Å; L718-L763 HydrophobicContact CD2-CG 4.46Å; F722-L763 HydrophobicContact CE1-CD2 4.39Å; F722-L763 HydrophobicContact CE2-CD2 3.52Å; F722-L763 HydrophobicContact CZ-CD2 3.2Å; V755-L763 HydrophobicContact CG1-CD1 3.58Å; V755-L763 HydrophobicContact CG1-CD2 3.3Å; V755-L763 HydrophobicContact CG1-CG 4.01Å; V755-L763 WeakPolarHBondContact O-CD1 3.34Å; W759-L763 WeakPolarHBondContact O-CD1 3.4Å; W759-L763 VanDerWaalsContact O-CG 3.31Å; W759-L763 WeakPolarHBondContact O-CG 3.35Å; W759-L763 PolarHBondContact O-N 2.83Å; L763-C768 WeakPolarHBondContact CB-SG 3.34Å
764D73.8Confident68.7Low84 Ų8471.1 Ų71.145%0.44937%0.373SS..  trans-69.1146.3165.666.5-46.3000109.7N766 S767 C768D764-N766 PolarHBondContact O-N 2.87Å; D764-S767 PolarHBondContact O-N 2.98Å; D764-S767 WeakPolarHBondContact OD1-CB 3.48Å; D764-S767 PolarHBondContact OD1-OG 3.45Å; D764-S767 PolarHBondContact OD2-OG 3.01Å; D764-C768 PolarHBondContact O-N 3.01Å; D764-C768 VanDerWaalsContact O-N 3.13Å
765K71.4Confident69Low171 Ų17170.3 Ų70.374%0.74337%0.366SS*.Hα-helixtrans-53.8-32.5-176.3-167.2177.6-179.4-179.40112.4I769K765-I769 HydrophobicContact CG-CD1 4.1Å; K765-I769 VanDerWaalsContact O-CD1 3.32Å; K765-I769 WeakPolarHBondContact O-CD1 3.48Å; K765-I769 WeakPolarHBondContact O-CG1 3.31Å; K765-I769 PolarHBondContact O-N 2.97Å; K765-I769 VanDerWaalsContact O-N 3.1Å
766N76.1Confident69.2Low119 Ų11974.4 Ų74.464%0.63639%0.393SS*.Hα-helixtrans-70.4-42.7179.1-65-13.3000112.2D764 I769 S770D764-N766 PolarHBondContact O-N 2.87Å; N766-I769 PolarHBondContact O-N 3.16Å; N766-S770 PolarHBondContact O-N 2.81Å
767S72.5Confident69.4Low29 Ų2975 Ų7520%0.20340%0.4CS..Hα-helixtrans-68.6-37.4177.1-58.10000112.4F722 D764 I769 S770 C771F722-S767 VanDerWaalsContact CZ-CB 3.46Å; D764-S767 PolarHBondContact O-N 2.98Å; D764-S767 WeakPolarHBondContact OD1-CB 3.48Å; D764-S767 PolarHBondContact OD1-OG 3.45Å; D764-S767 PolarHBondContact OD2-OG 3.01Å; S767-I769 VanDerWaalsContact C-N 3.33Å; S767-I769 PolarHBondContact O-N 3.12Å; S767-S770 PolarHBondContact O-N 3.47Å; S767-C771 PolarHBondContact O-N 3.49Å; S767-C771 PolarHBondContact O-SG 3.07Å
768C68.6Low69.6Low34 Ų3468.6 Ų68.623%0.2337%0.366CS..Hα-helixtrans-58.1-45.8170.8-82.70000111.7L756 L763 D764 C771 M772L756-C768 HydrophobicContact CD2-CB 4.36Å; L763-C768 WeakPolarHBondContact CB-SG 3.34Å; D764-C768 PolarHBondContact O-N 3.01Å; D764-C768 VanDerWaalsContact O-N 3.13Å; C768-C771 PolarHBondContact O-N 2.85Å; C768-M772 WeakPolarHBondContact O-CB 3.27Å; C768-M772 VanDerWaalsContact O-CG 3.26Å; C768-M772 WeakPolarHBondContact O-CG 3.17Å; C768-M772 PolarHBondContact O-N 3.36Å
769I73.4Confident69.9Low80 Ų8069 Ų6941%0.4137%0.373SS..Hα-helixtrans-62.3-45.5177.2-69.2163.6000110.1K765 N766 S767 C771 M772 D773K765-I769 HydrophobicContact CG-CD1 4.1Å; K765-I769 VanDerWaalsContact O-CD1 3.32Å; K765-I769 WeakPolarHBondContact O-CD1 3.48Å; K765-I769 WeakPolarHBondContact O-CG1 3.31Å; K765-I769 PolarHBondContact O-N 2.97Å; K765-I769 VanDerWaalsContact O-N 3.1Å; N766-I769 PolarHBondContact O-N 3.16Å; S767-I769 VanDerWaalsContact C-N 3.33Å; S767-I769 PolarHBondContact O-N 3.12Å; I769-C771 PolarHBondContact O-N 3.24Å; I769-M772 PolarHBondContact O-N 3.43Å; I769-D773 WeakPolarHBondContact O-CB 3.31Å; I769-D773 VanDerWaalsContact O-CG 3.31Å; I769-D773 PolarHBondContact O-N 2.82Å
770S77.3Confident69.8Low45 Ų4572.3 Ų72.332%0.31540%0.396SS..Hα-helixtrans-58.6-50.5177.6-176.90000111.8K729 N766 S767 M772 D773 D774K729-S770 PolarHBondContact NZ-OG 3.43Å; N766-S770 PolarHBondContact O-N 2.81Å; S767-S770 PolarHBondContact O-N 3.47Å; S770-M772 VanDerWaalsContact C-N 3.27Å; S770-M772 PolarHBondContact O-N 3.32Å; S770-D773 PolarHBondContact O-N 3.26Å; S770-D774 PolarHBondContact O-N 3.43Å
771C72.5Confident69.9Low1 Ų169.5 Ų69.51%0.00738%0.377CS..Hα-helixtrans-60.2-38.1178.9-70.20000112.1C752 L756 S767 C768 I769 D774 L775C752-C771 HydrophobicContact CB-CB 4.35Å; L756-C771 HydrophobicContact CD1-CB 4.19Å; L756-C771 HydrophobicContact CD2-CB 4.23Å; L756-C771 HydrophobicContact CG-CB 4.19Å; S767-C771 PolarHBondContact O-N 3.49Å; S767-C771 PolarHBondContact O-SG 3.07Å; C768-C771 PolarHBondContact O-N 2.85Å; I769-C771 PolarHBondContact O-N 3.24Å; C771-D774 WeakPolarHBondContact CA-OD2 3.4Å; C771-D774 PolarHBondContact O-N 3.38Å; C771-L775 VanDerWaalsContact O-CG 3.3Å; C771-L775 WeakPolarHBondContact O-CG 3.46Å; C771-L775 PolarHBondContact O-N 3.48Å
772M71.5Confident69.3Low96 Ų9670.8 Ų70.847%0.47337%0.374SS..Hα-helixtrans-68.6-39.8176.4-73.4-63.8-63.800112.4L756 C768 I769 S770 L775 C776L756-M772 HydrophobicContact CD1-CG 4.24Å; L756-M772 HydrophobicContact CD1-SD 3.66Å; L756-M772 HydrophobicContact CD2-CG 4.48Å; C768-M772 WeakPolarHBondContact O-CB 3.27Å; C768-M772 VanDerWaalsContact O-CG 3.26Å; C768-M772 WeakPolarHBondContact O-CG 3.17Å; C768-M772 PolarHBondContact O-N 3.36Å; I769-M772 PolarHBondContact O-N 3.43Å; S770-M772 VanDerWaalsContact C-N 3.27Å; S770-M772 PolarHBondContact O-N 3.32Å; M772-L775 PolarHBondContact O-N 2.99Å; M772-L775 HydrophobicContact SD-CD1 4.37Å; M772-C776 PolarHBondContact O-N 3.25Å; M772-C776 PolarHBondContact O-SG 3.42Å
773D76Confident68.7Low96 Ų9666.4 Ų66.451%0.51336%0.363SS..Hα-helixtrans-64.3-41.9174.9-72.3-22.1000110.4I769 S770 L775 C776 C777I769-D773 WeakPolarHBondContact O-CB 3.31Å; I769-D773 VanDerWaalsContact O-CG 3.31Å; I769-D773 PolarHBondContact O-N 2.82Å; S770-D773 PolarHBondContact O-N 3.26Å; D773-L775 PolarHBondContact O-N 2.9Å; D773-C776 WeakPolarHBondContact O-CB 3.43Å; D773-C776 PolarHBondContact O-N 2.82Å; D773-C777 PolarHBondContact O-N 3.37Å; D773-C777 PolarHBondContact O-SG 3.36Å
774D74.4Confident67.9Low13 Ų1370.4 Ų70.47%0.0739%0.39CS..Hα-helixtrans-62.2-44.4175.9-51.2-49.3000111.5K729 S770 C771 C776 C777 L778K729-D774 WeakPolarHBondContact CE-OD1 3.49Å; K729-D774 WeakPolarHBondContact CE-OD2 3.25Å; K729-D774 IonicContact NZ-OD1 2.76Å; K729-D774 PolarHBondContact NZ-OD1 3.1Å; K729-D774 IonicContact NZ-OD2 2.8Å; K729-D774 PolarHBondContact NZ-OD2 2.7Å; S770-D774 PolarHBondContact O-N 3.43Å; C771-D774 WeakPolarHBondContact CA-OD2 3.4Å; C771-D774 PolarHBondContact O-N 3.38Å; D774-C776 VanDerWaalsContact C-N 3.27Å; D774-C776 PolarHBondContact O-N 3.2Å; D774-C777 PolarHBondContact O-N 2.55Å; D774-L778 HydrophobicContact CB-CD1 4.49Å; D774-L778 WeakPolarHBondContact O-CB 3.41Å; D774-L778 WeakPolarHBondContact O-CD1 3.32Å; D774-L778 WeakPolarHBondContact O-CG 3.33Å; D774-L778 PolarHBondContact O-N 3.17Å
775L72.1Confident66.2Low22 Ų2272.5 Ų72.512%0.11540%0.401CS..Hα-helixtrans-60.9-37.8175.9-75172.3000111.5I749 C752 F753 L756 C771 M772 D773 L778 A779I749-L775 HydrophobicContact CB-CD2 4.26Å; I749-L775 HydrophobicContact CG1-CD2 4.28Å; I749-L775 HydrophobicContact CG2-CD2 3.89Å; C752-L775 HydrophobicContact CB-CD1 4.26Å; C752-L775 HydrophobicContact CB-CD2 3.99Å; C752-L775 HydrophobicContact CB-CG 3.96Å; F753-L775 HydrophobicContact CD1-CD1 3.99Å; F753-L775 HydrophobicContact CD2-CD2 4.09Å; F753-L775 HydrophobicContact CE1-CD1 3.71Å; F753-L775 HydrophobicContact CE1-CD2 4.4Å; F753-L775 HydrophobicContact CE2-CD2 3.78Å; F753-L775 HydrophobicContact CZ-CD1 4.02Å; F753-L775 HydrophobicContact CZ-CD2 3.94Å; L756-L775 HydrophobicContact CD1-CD1 3.64Å; C771-L775 VanDerWaalsContact O-CG 3.3Å; C771-L775 WeakPolarHBondContact O-CG 3.46Å; C771-L775 PolarHBondContact O-N 3.48Å; M772-L775 PolarHBondContact O-N 2.99Å; M772-L775 HydrophobicContact SD-CD1 4.37Å; D773-L775 PolarHBondContact O-N 2.9Å; L775-L778 PolarHBondContact O-N 3.41Å; L775-A779 WeakPolarHBondContact O-CB 3.31Å; L775-A779 PolarHBondContact O-N 2.87Å
776C70Confident64.6Low85 Ų8570.2 Ų70.257%0.57439%0.394SS*.Hα-helixtrans-67.2-38.4175.2-68.20000112.3M772 D773 D774M772-C776 PolarHBondContact O-N 3.25Å; M772-C776 PolarHBondContact O-SG 3.42Å; D773-C776 WeakPolarHBondContact O-CB 3.43Å; D773-C776 PolarHBondContact O-N 2.82Å; D774-C776 VanDerWaalsContact C-N 3.27Å; D774-C776 PolarHBondContact O-N 3.2Å
777C69.2Low62.3Low51 Ų5167.4 Ų67.435%0.34538%0.382SS..Hα-helixtrans-66-45.9173.6-72.60000111.4L734 I737 D773 D774 A779 V780L734-C777 HydrophobicContact CD2-CB 4.33Å; I737-C777 HydrophobicContact CD1-CB 4.24Å; I737-C777 WeakPolarHBondContact CD1-O 3.4Å; D773-C777 PolarHBondContact O-N 3.37Å; D773-C777 PolarHBondContact O-SG 3.36Å; D774-C777 PolarHBondContact O-N 2.55Å; C777-A779 VanDerWaalsContact C-N 3.27Å; C777-A779 PolarHBondContact O-N 2.64Å; C777-V780 PolarHBondContact O-N 3.02Å
778L68.7Low60.5Low2 Ų272.6 Ų72.61%0.0141%0.412CS..Hα-helixtrans-71.9-18.9-177.4-65.7163.8000113.2L734 I740 L748 I749 D774 L775 V780 L781L734-L778 HydrophobicContact CD2-CD2 3.87Å; L734-L778 HydrophobicContact CD2-CG 4.11Å; I740-L778 HydrophobicContact CD1-CD2 4.38Å; L748-L778 HydrophobicContact CB-CD1 4.2Å; L748-L778 HydrophobicContact CD2-CD1 3.61Å; L748-L778 HydrophobicContact CD2-CD2 4.18Å; L748-L778 HydrophobicContact CD2-CG 4.45Å; L748-L778 HydrophobicContact CG-CD1 3.71Å; I749-L778 HydrophobicContact CD1-CB 4Å; I749-L778 HydrophobicContact CG1-CB 3.83Å; I749-L778 HydrophobicContact CG1-CD1 3.8Å; I749-L778 HydrophobicContact CG1-CG 4.38Å; D774-L778 HydrophobicContact CB-CD1 4.49Å; D774-L778 WeakPolarHBondContact O-CB 3.41Å; D774-L778 WeakPolarHBondContact O-CD1 3.32Å; D774-L778 WeakPolarHBondContact O-CG 3.33Å; D774-L778 PolarHBondContact O-N 3.17Å; L775-L778 PolarHBondContact O-N 3.41Å; L778-V780 PolarHBondContact O-N 3.02Å; L778-L781 HydrophobicContact CB-CD1 4.04Å; L778-L781 HydrophobicContact CD2-CD1 3.56Å; L778-L781 HydrophobicContact CD2-CG 4.34Å; L778-L781 HydrophobicContact CG-CD1 4.41Å; L778-L781 VanDerWaalsContact O-CB 3.28Å; L778-L781 WeakPolarHBondContact O-CB 3.28Å; L778-L781 VanDerWaalsContact O-CG 3.3Å; L778-L781 WeakPolarHBondContact O-CG 3.39Å; L778-L781 PolarHBondContact O-N 3.32Å
779A63.8Low58.4Low79 Ų7976.7 Ų76.765%0.65343%0.432SS*.THydrogen-bonded Turntrans-59.7-15.3175.300000113.8L775 C777L775-A779 WeakPolarHBondContact O-CB 3.31Å; L775-A779 PolarHBondContact O-N 2.87Å; C777-A779 VanDerWaalsContact C-N 3.27Å; C777-A779 PolarHBondContact O-N 2.64Å
780V63.9Low56.1Low97 Ų9778.5 Ų78.559%0.58844%0.442SS*.THydrogen-bonded Turntrans-87.6-9.9177.6-171.30000112.5I737 C777 L778 R782I737-V780 HydrophobicContact CG2-CB 4.12Å; C777-V780 PolarHBondContact O-N 3.02Å; L778-V780 PolarHBondContact O-N 3.02Å; V780-R782 PolarHBondContact O-N 3.17Å
781L57.5Low53.7Low21 Ų2181.4 Ų81.411%0.1146%0.459CS..  trans-58.6131.7177.6-72170000110.9I737 I740 W742 I749 L778I737-L781 HydrophobicContact CG2-CD2 4.01Å; I737-L781 HydrophobicContact CG2-CG 4.16Å; I737-L781 WeakPolarHBondContact O-CD2 3.48Å; I740-L781 HydrophobicContact CB-CD2 3.78Å; I740-L781 HydrophobicContact CD1-CD2 4.17Å; I740-L781 HydrophobicContact CG1-CD2 4.37Å; I740-L781 HydrophobicContact CG2-CD2 4.32Å; W742-L781 HydrophobicContact CE3-CB 3.97Å; W742-L781 HydrophobicContact CZ3-CB 3.68Å; I749-L781 HydrophobicContact CD1-CD1 4.44Å; L778-L781 HydrophobicContact CB-CD1 4.04Å; L778-L781 HydrophobicContact CD2-CD1 3.56Å; L778-L781 HydrophobicContact CD2-CG 4.34Å; L778-L781 HydrophobicContact CG-CD1 4.41Å; L778-L781 VanDerWaalsContact O-CB 3.28Å; L778-L781 WeakPolarHBondContact O-CB 3.28Å; L778-L781 VanDerWaalsContact O-CG 3.3Å; L778-L781 WeakPolarHBondContact O-CG 3.39Å; L778-L781 PolarHBondContact O-N 3.32Å
782R53Low51.4Low204 Ų20485.8 Ų85.877%0.7749%0.49SS*.  trans-115.3140.9176.7-68.2-167.1178.1-177.4-1.3110.6V780V780-R782 PolarHBondContact O-N 3.17Å
783C51.7Low49.2Very low45 Ų4588.2 Ų88.230%0.30450%0.504SS..  trans-66.3131.1173.8-167.60000109.7W742 D785 Q786W742-C783 HydrophobicContact CZ2-CB 4.45Å; C783-D785 PolarHBondContact O-N 2.79Å; C783-Q786 WeakPolarHBondContact O-CB 3Å; C783-Q786 PolarHBondContact O-N 2.78Å; C783-Q786 VanDerWaalsContact O-N 3.16Å
784P48Very low46.8Very low104 Ų10489.6 Ų89.668%0.67552%0.516SS*.THydrogen-bonded Turntrans-61.3-25.2-177.820.7-31.1000113.8Q786P784-Q786 VanDerWaalsContact C-N 3.26Å; P784-Q786 PolarHBondContact O-N 2.78Å
785D38Very low44.3Very low128 Ų12896 Ų9668%0.68455%0.549SS*.THydrogen-bonded Turntrans-79-6.7-179.3-60.2-36000113.4C783 P787C783-D785 PolarHBondContact O-N 2.79Å; D785-P787 WeakPolarHBondContact O-CD 3.1Å
786Q37.9Very low42Very low124 Ų124102 Ų10258%0.57958%0.581SS**SBendtrans-76.4114.2-178.1-147.6177.826.300110.2C783 P784 T788C783-Q786 WeakPolarHBondContact O-CB 3Å; C783-Q786 PolarHBondContact O-N 2.78Å; C783-Q786 VanDerWaalsContact O-N 3.16Å; P784-Q786 VanDerWaalsContact C-N 3.26Å; P784-Q786 PolarHBondContact O-N 2.78Å; Q786-T788 PolarHBondContact O-N 3.02Å
787P28.5Very low39.8Very low59 Ų59105.3 Ų105.338%0.38359%0.593SS.*  trans-60.5124.5-173.619.7-31.8000111.5E587 D785 N789E587-P787 WeakPolarHBondContact OE1-CD 3.43Å; D785-P787 WeakPolarHBondContact O-CD 3.1Å; P787-N789 PolarHBondContact O-N 3.35Å
788T33.7Very low37.6Very low139 Ų139113.3 Ų113.385%0.85362%0.617SS**  trans-68.955.3174.2490000111.6Q786Q786-T788 PolarHBondContact O-N 3.02Å
789N25.4Very low35.5Very low120 Ų120118.2 Ų118.264%0.64265%0.651SS**  trans-14778.2179-81.3-36.7000108.3K589 P787K589-N789 PolarHBondContact NZ-O 3.34Å; P787-N789 PolarHBondContact O-N 3.35Å
790L25Very low33.7Very low117 Ų117120.3 Ų120.361%0.61366%0.656SS**SBend-123.4121.5118.6-116.290.2000105.3L590 S792L590-L790 HydrophobicContact CD1-CD1 4Å; L790-S792 PolarHBondContact O-N 3.5Å; L790-S792 VanDerWaalsContact O-N 3.17Å
791P27.2Very low31.9Very low106 Ų106123.9 Ų123.969%0.68867%0.667SS**  trans-57.7129.2173.327.4-30.6000105.4I793P791-I793 PolarHBondContact O-N 3.48Å
792S24.8Very low30.4Very low93 Ų93130.9 Ų130.965%0.6570%0.699SS**  trans-22.2105.1161.842.20000109.2L790 T794L790-S792 PolarHBondContact O-N 3.5Å; L790-S792 VanDerWaalsContact O-N 3.17Å; S792-T794 WeakPolarHBondContact O-CA 2.81Å; S792-T794 PolarHBondContact O-N 3.06Å
793I23.8Very low29.2Very low148 Ų148129.1 Ų129.176%0.75970%0.704SS**  trans-47.7116.1172.3-80.2171.4000104.2P791 L795P791-I793 PolarHBondContact O-N 3.48Å; I793-L795 PolarHBondContact O-N 2.76Å
794T25.4Very low27.9Very low125 Ų125133.5 Ų133.577%0.76773%0.73SS**  trans-37.7103.9-163.3-22.20000107.7S792 L796S792-T794 WeakPolarHBondContact O-CA 2.81Å; S792-T794 PolarHBondContact O-N 3.06Å; T794-L796 PolarHBondContact O-N 3.42Å
795L23.4Very low26.7Very low147 Ų147140 Ų14077%0.7774%0.741SS**  trans-53.298.7163.2-98.8145.6000104.1I793 N797I793-L795 PolarHBondContact O-N 2.76Å; L795-N797 PolarHBondContact O-N 3.01Å
796L22.9Very low26.2Very low149 Ų149138.9 Ų138.978%0.7874%0.743SS**  trans-47.9112.6169.1-97.1153.3000105.3T794 Y798T794-L796 PolarHBondContact O-N 3.42Å; L796-Y798 VanDerWaalsContact C-N 3.26Å; L796-Y798 PolarHBondContact O-N 3.07Å
797N22.9Very low25.3Very low154 Ų154144.8 Ų144.882%0.82476%0.76SS**  trans-50.291177.2-81.3-30.5000108.9L795 S799L795-N797 PolarHBondContact O-N 3.01Å; N797-S799 PolarHBondContact O-N 3Å; N797-S799 VanDerWaalsContact O-N 3.14Å
798Y24Very low25.1Very low219 Ų219153.1 Ų153.186%0.85978%0.784SS**  trans-79.880.9153-85-79.3000106.2L796 T800L796-Y798 VanDerWaalsContact C-N 3.26Å; L796-Y798 PolarHBondContact O-N 3.07Å; Y798-T800 PolarHBondContact O-N 3.47Å; Y798-T800 VanDerWaalsContact O-N 3.16Å
799S23.6Very low24.6Very low104 Ų104156.3 Ų156.373%0.72778%0.78SS**  trans-73.592.6165.162.10000108.6N797N797-S799 PolarHBondContact O-N 3Å; N797-S799 VanDerWaalsContact O-N 3.14Å
800T27.3Very low24.6Very low123 Ų123156.8 Ų156.876%0.75579%0.79SS**  trans-152.2104.4152.648.70000109.2Y798Y798-T800 PolarHBondContact O-N 3.47Å; Y798-T800 VanDerWaalsContact O-N 3.16Å
801Q26Very low24.6Very low173 Ų173162.2 Ų162.281%0.80880%0.802SS**  trans21.6128.7153.5-77.6171.9-62.900121.5
802E26.3Very low24.5Very low167 Ų167164.3 Ų164.378%0.7881%0.808SS**  trans51.497139-63.1178.7176.200118.8
803D26.8Very low24.6Very low167 Ų167168.3 Ų168.389%0.89382%0.821SS**  177.7121.3112.2-102.9-25.8000112.1
804V25.4Very low24.8Very low138 Ų138172.5 Ų172.584%0.83683%0.827SS**  trans-84.9109.5174173.60000108.6
805R22.9Very low24.7Very low239 Ų239172.4 Ų172.490%0.90283%0.826SS**  trans-171.6120.6150.1-103.1158.1-164.3-152.46.1114.5
806S26.3Very low24.7Very low105 Ų105168.9 Ų168.973%0.73481%0.811SS**  trans68.1101.2156.483.60000119.8R808S806-R808 PolarHBondContact O-N 3.12Å
807R20.6Very low25.1Very low249 Ų249172.1 Ų172.194%0.9481%0.814SS**  trans-80.3101161.4-71.7-178.9179.8-174.30.4109.5
808R24.1Very low25.3Very low234 Ų234168.3 Ų168.388%0.88380%0.8SS**PPolyproline II helixtrans-100132.3165.5-84.4-175.4173.6-177.7-0.7110.2S806S806-R808 PolarHBondContact O-N 3.12Å
809W22.3Very low26Very low206 Ų206163.2 Ų163.278%0.7879%0.793SS**PPolyproline II helixtrans-73.5133.9-175.5-68.476.6000112.9K841W809-K841 HydrophobicContact CZ3-CD 4.24Å; W809-K841 VanDerWaalsContact CZ3-NZ 3.27Å
810P26Very low26.1Very low130 Ų130166.3 Ų166.384%0.84480%0.801SS**PPolyproline II helixtrans-92.6132.8179.633.1-29000112.8
811R24.6Very low26.1Very low231 Ų231163.6 Ų163.687%0.87280%0.798SS**PPolyproline II helixtrans-97.1150.7175.8-71.6179.6173.1174-2.5111.4
812N26.1Very low25.9Very low149 Ų149165.2 Ų165.280%0.79780%0.803SS**  trans91.4122.5159.9-56.9-30.6000119.4
813L25.8Very low25.7Very low178 Ų178163.3 Ų163.393%0.93281%0.807SS**  178.1140.8108.1-91.2158.9000113.5
814R27.5Very low25.4Very low236 Ų236163.7 Ų163.789%0.89180%0.803SS**  trans-80.8148.6178.6-70.6171.1169.9171.9-4.5112.5
815V23.8Very low25.1Very low122 Ų122164.3 Ų164.374%0.73980%0.801SS**  trans-143.5144.4160.5-179.20000112.2
816V24.4Very low25Very low74 Ų74160.2 Ų160.245%0.44879%0.794SS.*  trans-114.7146.4-166.31740000112.2T605T605-V816 HydrophobicContact CG2-CB 4.18Å; T605-V816 HydrophobicContact CG2-CG1 3.63Å; T605-V816 HydrophobicContact CG2-CG2 4.22Å
817Y29.9Very low24.8Very low216 Ų216161.6 Ų161.685%0.84779%0.793SS**  trans-72.4155.3177.1-64.2-90.6000115.4
818S28.5Very low24.9Very low75 Ų75157 Ų15752%0.52479%0.787SS.*  trans-140.1154.1160.564.40000113.7N603N603-S818 VanDerWaalsContact O-CB 3.24Å; N603-S818 WeakPolarHBondContact O-CB 3.33Å; N603-S818 PolarHBondContact O-OG 2.88Å
819P38.6Very low25Very low111 Ų111150.4 Ų150.472%0.72178%0.777SS**  trans-122.4138.3-168.336.3-18.6000114.9
820N25.8Very low25.1Very low169 Ų169148.1 Ų148.190%0.90478%0.779SS**  trans159.4117.5143-85.2-17.1000113.5
821G26.3Very low25Very low66 Ų66151 Ų15168%0.6878%0.781SS**  trans73.3113130.100000121.7
822F23Very low25Very low207 Ų207149 Ų14991%0.90878%0.782SS**  trans60120142.8-70.4-87.5000120.4
823C20.4Very low24.9Very low128 Ų128148 Ų14887%0.86578%0.781SS**  172.7153.9106-96.90000113.8
824H20.5Very low24.9Very low174 Ų174145.7 Ų145.781%0.80677%0.765SS**  trans-71166-177.4-80.1-87.5000116
825L20.3Very low24.8Very low152 Ų152140.3 Ų140.380%0.79676%0.759SS**  trans105.5114.3132.9-113121.2000119.1
826M19.8Very low24.8Very low153 Ų153139.1 Ų139.175%0.75474%0.744SS**  trans60.9122.9136.3-65.7-70.9-121.500122.4
827N23.1Very low24.9Very low134 Ų134142.6 Ų142.672%0.71777%0.765SS**  trans26.4111.7133.2-76.1-2.7000118.5
828N23.1Very low24.7Very low153 Ų153137.1 Ų137.182%0.81875%0.754SS**  -173.6147.7104.5-96-16.1000112.2
829S24.9Very low24.6Very low95 Ų95142.6 Ų142.666%0.66477%0.771SS**  trans-35.1132.8167.5510000116.3
830N24.2Very low23.9Very low157 Ų157144.8 Ų144.884%0.8477%0.769SS**  -178144.3117.6-88-12.1000111.3
831E24.6Very low24.1Very low190 Ų190144.5 Ų144.589%0.88876%0.76SS**  trans-48.6136.2175.8-60.3172141.600113.4
832E23.8Very low24Very low191 Ų191149.1 Ų149.189%0.89377%0.766SS**  -173.7137.8119.2-104.6-179.8178.900112.2
833V25.2Very low24.2Very low126 Ų126144.6 Ų144.676%0.76475%0.75SS**  trans-61.2129.2-175.1172.70000112.6
834Q24.4Very low24.5Very low130 Ų130145.5 Ų145.561%0.60775%0.747SS**  trans-150.5126.3150.2-113.2174.646.800114T598 T599T598-Q834 VanDerWaalsContact CB-O 3.31Å; T598-Q834 WeakPolarHBondContact CB-O 3.34Å; T598-Q834 WeakPolarHBondContact CG2-O 3.34Å; T599-Q834 PolarHBondContact OG1-O 3.24Å
835T26.9Very low24.7Very low123 Ų123143.3 Ų143.376%0.75574%0.74SS**  trans-72.9127.8-170.739.70000113.4
836K24.2Very low24.9Very low98 Ų98141.5 Ų141.543%0.42674%0.735SS.*  trans-125.9115.5154.7-90.1179.4148.9161.30112.6T599 N600T599-K836 HydrophobicContact CG2-CB 3.29Å; T599-K836 HydrophobicContact CG2-CD 3.42Å; T599-K836 VanDerWaalsContact CG2-CD 3.42Å; T599-K836 HydrophobicContact CG2-CG 3.38Å; N600-K836 WeakPolarHBondContact OD1-CD 3.3Å; N600-K836 WeakPolarHBondContact OD1-CE 3.46Å; N600-K836 PolarHBondContact OD1-NZ 3.12Å
837V25Very low25.2Very low147 Ų147142.6 Ų142.689%0.89174%0.739SS**  trans1.3112.2139.6-170.20000115.4
838V26.2Very low25.2Very low100 Ų100142.1 Ų142.161%0.60673%0.734SS**  trans-91.4118.8-178.9171.30000109.9K840V838-K840 HydrophobicContact CG1-CB 3.96Å; V838-K840 HydrophobicContact CG1-CD 3.42Å; V838-K840 VanDerWaalsContact CG1-CD 3.42Å; V838-K840 HydrophobicContact CG1-CG 3.39Å; V838-K840 PolarHBondContact O-N 2.83Å
839E25.5Very low25.3Very low191 Ų191138.9 Ų138.989%0.89372%0.722SS**  trans-69.6100.3162.9-74.1178.1158.100109.1
840K25.2Very low25.4Very low156 Ų156139.6 Ų139.668%0.67872%0.722SS**  trans-138.286.5175.6-91.5178.1-174-177.70109.7V838V838-K840 HydrophobicContact CG1-CB 3.96Å; V838-K840 HydrophobicContact CG1-CD 3.42Å; V838-K840 VanDerWaalsContact CG1-CD 3.42Å; V838-K840 HydrophobicContact CG1-CG 3.39Å; V838-K840 PolarHBondContact O-N 2.83Å
841K29.7Very low25.6Very low164 Ų164137.7 Ų137.771%0.71371%0.708SS**SBendtrans-148.1-7161.4-73.6-158.1177.2-1790116.4W809W809-K841 HydrophobicContact CZ3-CD 4.24Å; W809-K841 VanDerWaalsContact CZ3-NZ 3.27Å
842M24.8Very low25.7Very low162 Ų162135.6 Ų135.680%0.79870%0.698SS**SBendtrans-101.3-7.1172.2-152.9172.6155.900113D844M842-D844 VanDerWaalsContact C-N 3.3Å; M842-D844 PolarHBondContact O-N 2.94Å
843L26.8Very low25.9Very low112 Ų112132.1 Ų132.159%0.58669%0.685SS**THydrogen-bonded Turntrans-80.3-1.8-179.2-87.5156.6000114.5L845L843-L845 PolarHBondContact O-N 3.2Å
844D26.8Very low26.3Very low148 Ų148127.7 Ų127.779%0.79166%0.659SS**THydrogen-bonded Turntrans-77.1-8172.6-68.5-16.2000111.8M842 V846M842-D844 VanDerWaalsContact C-N 3.3Å; M842-D844 PolarHBondContact O-N 2.94Å; D844-V846 VanDerWaalsContact C-N 3.32Å; D844-V846 PolarHBondContact O-N 3.27Å
845L23.8Very low27.2Very low128 Ų128125.1 Ų125.167%0.6765%0.649SS**SBendtrans-78.884.1156.5-77.6155.7000107.8L843 E847L843-L845 PolarHBondContact O-N 3.2Å; L845-E847 PolarHBondContact O-N 2.87Å
846V26Very low28Very low113 Ų113121.8 Ų121.869%0.68563%0.628SS**  trans-58.9104.3-178.1177.30000110.5D844 I848D844-V846 VanDerWaalsContact C-N 3.32Å; D844-V846 PolarHBondContact O-N 3.27Å; V846-I848 HydrophobicContact CG1-CG1 4.27Å; V846-I848 PolarHBondContact O-N 3.28Å
847E24.4Very low28.7Very low177 Ų177124.5 Ų124.583%0.82764%0.636SS**  trans-62.3115.4162.5-81.6-177.4147.200109L845 P849L845-E847 PolarHBondContact O-N 2.87Å; E847-P849 WeakPolarHBondContact O-CD 2.94Å
848I24.3Very low29.5Very low123 Ų123119.3 Ų119.363%0.63160%0.603SS**  trans-94.3108.1168.1-59.7175.3000107.5T586 V846 V850T586-I848 HydrophobicContact CG2-CD1 4.49Å; V846-I848 HydrophobicContact CG1-CG1 4.27Å; V846-I848 PolarHBondContact O-N 3.28Å; I848-V850 PolarHBondContact O-N 2.98Å
849P25Very low30.1Very low86 Ų86117.5 Ų117.556%0.55859%0.589SS**  trans-76.7112.7-176.929.4-33000110.8E847 H851E847-P849 WeakPolarHBondContact O-CD 2.94Å; P849-H851 PolarHBondContact O-N 3.45Å
850V27.3Very low31.1Very low109 Ų109111.2 Ų111.266%0.66156%0.562SS**G310 helixtrans-52.5-16.2-171-1790000116I848 Q852I848-V850 PolarHBondContact O-N 2.98Å; V850-Q852 VanDerWaalsContact C-N 3.33Å; V850-Q852 PolarHBondContact O-N 2.94Å
851H28.5Very low32.1Very low117 Ų117106.3 Ų106.354%0.54254%0.542SS..G310 helixtrans-80.62.3-165.666.9-83.8000116.3P849P849-H851 PolarHBondContact O-N 3.45Å
852Q26.2Very low32.7Very low147 Ų147100.9 Ų100.969%0.68752%0.524SS*.G310 helixtrans-116.26.7179.8-64-169.40.800115.3V850V850-Q852 VanDerWaalsContact C-N 3.33Å; V850-Q852 PolarHBondContact O-N 2.94Å
853L28.6Very low33.2Very low117 Ų11798.5 Ų98.561%0.61352%0.523SS*.SBendtrans-77.5153.2162.3-69.5165.2000108.9L855L853-L855 WeakPolarHBondContact O-CG 3.35Å; L853-L855 PolarHBondContact O-N 3.49Å
854P32.6Very low33.6Very low33 Ų3396.2 Ų96.221%0.21451%0.511CS..  trans-59.295.7-18023-32.1000110.2V856 V949 D950 L957 V1022P854-V856 PolarHBondContact O-N 3.17Å; P854-V949 HydrophobicContact CB-CG1 4.27Å; P854-D950 WeakPolarHBondContact CA-O 3.35Å; P854-D950 WeakPolarHBondContact CB-O 3.41Å; P854-L957 HydrophobicContact CG-CD1 4.42Å; P854-V1022 HydrophobicContact CG-CG2 4.03Å
855L43.9Very low33.9Very low77 Ų7792.5 Ų92.540%0.40350%0.495SS..  trans-74.5113.3-174.2-71.4165.8000107.9L853 R857L853-L855 WeakPolarHBondContact O-CG 3.35Å; L853-L855 PolarHBondContact O-N 3.49Å; L855-R857 PolarHBondContact O-N 3.4Å
856V42.4Very low34Very low53 Ų5390.9 Ų90.932%0.32150%0.495SS..EExtended strand (participates in β ladder)trans-55.1108.6164.9-178.90000107.7P854 I859 M947 I948 V949P854-V856 PolarHBondContact O-N 3.17Å; V856-I859 HydrophobicContact CG1-CD1 4.14Å; V856-I859 HydrophobicContact CG1-CG1 3.63Å; V856-M947 HydrophobicContact CB-CE 4.12Å; V856-M947 HydrophobicContact CG1-CB 4.1Å; V856-M947 HydrophobicContact CG1-CE 3.63Å; V856-M947 HydrophobicContact CG1-CG 4.38Å; V856-M947 HydrophobicContact CG2-CE 3.36Å; V856-I948 CarbonylContact C-O 3.52Å; V856-I948 WeakPolarHBondContact CA-O 3.3Å; V856-V949 HydrophobicContact CG2-CG2 4.42Å
857R40.7Very low34.4Very low154 Ų15492 Ų9258%0.58150%0.497SS*.EExtended strand (participates in β ladder)trans-77-31.3-172.8-171.8176.2-179.6170.70.6113.2L855 I948L855-R857 PolarHBondContact O-N 3.4Å; R857-I948 HydrophobicContact CB-CB 4.34Å; R857-I948 HydrophobicContact CB-CG2 4.15Å; R857-I948 WeakPolarHBondContact CB-O 3.42Å; R857-I948 PolarHBondContact N-O 3.41Å
858L40.5Very low34.5Very low39 Ų3988.4 Ų88.420%0.20448%0.482CS..EExtended strand (participates in β ladder)trans-155.8137.2-179.2-171.283.3000109.6N860 V891 M947 I948L858-N860 HydrophobicContact CD2-CB 4.4Å; L858-V891 HydrophobicContact CD1-CG2 4.44Å; L858-M947 CarbonylContact O-C 3.45Å; L858-M947 VanDerWaalsContact O-CA 3.3Å; L858-M947 WeakPolarHBondContact O-CA 3.49Å; L858-I948 HydrophobicContact CB-CB 4.03Å; L858-I948 HydrophobicContact CB-CD1 3.86Å; L858-I948 HydrophobicContact CB-CG1 4Å; L858-I948 HydrophobicContact CD2-CD1 3.62Å; L858-I948 HydrophobicContact CD2-CG1 4.32Å; L858-I948 HydrophobicContact CG-CD1 4.39Å; L858-I948 PolarHBondContact O-N 2.74Å
859I40.3Very low34.6Very low62 Ų6287.8 Ų87.832%0.31848%0.48SS..EExtended strand (participates in β ladder)trans-115.9120.5167.5-56.2178.3000107.2V856 I945 E946 M947V856-I859 HydrophobicContact CG1-CD1 4.14Å; V856-I859 HydrophobicContact CG1-CG1 3.63Å; I859-I945 HydrophobicContact CG2-CG2 3.66Å; I859-E946 CarbonylContact C-O 3.52Å; I859-E946 WeakPolarHBondContact CA-O 3.41Å; I859-M947 HydrophobicContact CG1-CG 4.3Å
860N45.9Very low34.7Very low58 Ų5889 Ų8931%0.3149%0.488SS..EExtended strand (participates in β ladder)trans-121126.7-179.4-179.240.3000109.6L858 P862 E946L858-N860 HydrophobicContact CD2-CB 4.4Å; N860-P862 VanDerWaalsContact O-CD 3.26Å; N860-P862 WeakPolarHBondContact O-CD 3.44Å; N860-E946 HydrophobicContact CB-CB 4.2Å; N860-E946 PolarHBondContact N-O 2.79Å; N860-E946 PolarHBondContact ND2-OE2 3.07Å; N860-E946 PolarHBondContact O-N 2.82Å
861I45.1Very low34.8Very low53 Ų5392.4 Ų92.427%0.27250%0.496SS..  trans-106.297.5178.7-56.7172.9000107.4W937 L1015I861-W937 HydrophobicContact CG2-CZ2 4.23Å; I861-L1015 HydrophobicContact CD1-CD2 4.2Å
862P42.7Very low34.8Very low51 Ų5193.4 Ų93.433%0.33151%0.511SS..PPolyproline II helixtrans-68.1141.617825.8-33.8000111.9N860 Y944 E946N860-P862 VanDerWaalsContact O-CD 3.26Å; N860-P862 WeakPolarHBondContact O-CD 3.44Å; P862-Y944 WeakPolarHBondContact CD-O 3.27Å; P862-E946 HydrophobicContact CG-CG 4.45Å
863S36.3Very low34.9Very low111 Ų11191.7 Ų91.778%0.77651%0.505SS*.PPolyproline II helixtrans-66.8146.9172.8530000111.7
864L34.5Very low35Very low65 Ų6590.5 Ų90.534%0.3451%0.506SS..PPolyproline II helixtrans-57134.6176.5-97.793.4000111.2L868L864-L868 HydrophobicContact CD2-CB 3.9Å; L864-L868 HydrophobicContact CD2-CD1 3.9Å
865P32.9Very low34.8Very low70 Ų7097.5 Ų97.546%0.45553%0.534SS..PPolyproline II helixtrans-53.7138.7173.1-26.634.7000112.2N867 L868P865-N867 WeakPolarHBondContact CB-OD1 3.27Å; P865-N867 PolarHBondContact O-N 3.39Å; P865-L868 PolarHBondContact O-N 2.87Å
866S26.7Very low34.3Very low94 Ų94100.1 Ų100.166%0.65755%0.548SS*.G310 helixtrans-57.7-23-171.7430000115.1L868 L869S866-L868 PolarHBondContact O-N 3.47Å; S866-L869 PolarHBondContact O-N 3.34Å
867N33.2Very low33.8Very low136 Ų13698.1 Ų98.173%0.72754%0.538SS*.G310 helixtrans-72.2-3.7174.351.9-41.5000114.3P865P865-N867 WeakPolarHBondContact CB-OD1 3.27Å; P865-N867 PolarHBondContact O-N 3.39Å
868L26.7Very low33.2Very low101 Ų10194.1 Ų94.153%0.52954%0.538SS..G310 helixtrans-104.81.1171.9-70.8164.9000113.3L864 P865 S866L864-L868 HydrophobicContact CD2-CB 3.9Å; L864-L868 HydrophobicContact CD2-CD1 3.9Å; P865-L868 PolarHBondContact O-N 2.87Å; S866-L868 PolarHBondContact O-N 3.47Å
869L26.6Very low32.6Very low110 Ų11099.8 Ų99.858%0.57656%0.563SS**SBendtrans-87.4125.5176.4-74.1164.7000111.2S866 H871S866-L869 PolarHBondContact O-N 3.34Å; L869-H871 PolarHBondContact O-N 2.89Å
870P26.7Very low31.9Very low113 Ų113103.7 Ų103.773%0.73459%0.585SS**  trans-69.6127.2-174.623.3-30.4000113.3T872P870-T872 PolarHBondContact O-N 3.06Å
871H29.4Very low31Very low180 Ų180103.9 Ų103.983%0.83359%0.588SS**  trans-8514.9-161.8-101.8-74.1000118L869L869-H871 PolarHBondContact O-N 2.89Å
872T28.9Very low30.2Very low137 Ų137107.4 Ų107.484%0.8461%0.612SS**  trans-130.381.7-175.756.10000113.1P870P870-T872 PolarHBondContact O-N 3.06Å
873I29.5Very low29.4Very low111 Ų111107.2 Ų107.257%0.56961%0.612SS**  trans-88.3134.4166.2-73.8172.7000109.1Y919I873-Y919 HydrophobicContact CD1-CD1 4.4Å
874S29.9Very low28.9Very low92 Ų92109.2 Ų109.264%0.64361%0.613SS**  trans-64154.3-178.373.10000113.1N876 G877S874-N876 PolarHBondContact O-N 3.21Å; S874-G877 PolarHBondContact O-N 3.21Å
875K28.4Very low28.5Very low180 Ų180111.2 Ų111.278%0.78363%0.632SS**Hα-helixtrans-49.3-30.5-171.3-156.8175.9-177.6-178.50115.2G877 A878K875-G877 VanDerWaalsContact C-N 3.31Å; K875-G877 PolarHBondContact O-N 3.01Å; K875-A878 PolarHBondContact O-N 3.37Å
876N33.9Very low28.2Very low133 Ų133119.1 Ų119.171%0.71165%0.653SS**Hα-helixtrans-75-17.3178-73.77.1000113.8S874S874-N876 PolarHBondContact O-N 3.21Å
877G31.5Very low28.2Very low11 Ų11122.7 Ų122.711%0.11366%0.663CS.*Hα-helixtrans-77.9-22.4174.800000113.6S874 K875S874-G877 PolarHBondContact O-N 3.21Å; K875-G877 VanDerWaalsContact C-N 3.31Å; K875-G877 PolarHBondContact O-N 3.01Å
878A28.2Very low27.8Very low69 Ų69127.8 Ų127.857%0.5767%0.672SS**Hα-helixtrans-78.4-24.6-17700000113.6K875 N880 V881K875-A878 PolarHBondContact O-N 3.37Å; A878-N880 VanDerWaalsContact C-N 3.31Å; A878-N880 PolarHBondContact O-N 2.98Å; A878-V881 VanDerWaalsContact O-CG2 3.22Å; A878-V881 WeakPolarHBondContact O-CG2 3.47Å
879E27.6Very low27.8Very low159 Ų159127.8 Ų127.874%0.74368%0.676SS**THydrogen-bonded Turntrans-78.5-7.8-175.2-72.3-174.3169.200114.4
880N26.2Very low27.7Very low143 Ų143127.1 Ų127.177%0.76568%0.677SS**THydrogen-bonded Turntrans-116.336.8-175-75.2-34.7000114.7A878A878-N880 VanDerWaalsContact C-N 3.31Å; A878-N880 PolarHBondContact O-N 2.98Å
881V26.6Very low27.6Very low63 Ų63124.9 Ų124.938%0.38266%0.661SS.*  trans-92.2110.8-171.4174.40000111.9A878 F917A878-V881 VanDerWaalsContact O-CG2 3.22Å; A878-V881 WeakPolarHBondContact O-CG2 3.47Å; V881-F917 HydrophobicContact CG1-CB 3.09Å; V881-F917 HydrophobicContact CG1-CD1 3.87Å; V881-F917 HydrophobicContact CG1-CD2 4.5Å; V881-F917 HydrophobicContact CG1-CG 3.63Å
882V28.7Very low27.4Very low126 Ų126122.2 Ų122.276%0.76465%0.651SS**  trans-141145.3169.8-177.80000111.2
883S24.5Very low27.1Very low48 Ų48125.9 Ų125.934%0.33665%0.65SS.*  trans-84.4144.9-159.3-158.50000116
884L26.2Very low26.9Very low152 Ų152125.1 Ų125.180%0.79665%0.654SS**  trans-127.9140178.3-86.6167.9000113
885S26.3Very low26.7Very low108 Ų108127.7 Ų127.776%0.75566%0.661SS**  trans-96.8139.8-168.449.20000115.2
886R27.5Very low26.5Very low236 Ų236129.1 Ų129.189%0.89166%0.661SS**  trans42.3104.5158.5-71.2-176.7178.5178.3-0.3120.8
887I26.6Very low26.1Very low168 Ų168131 Ų13186%0.86267%0.665SS**  trans13.3114.2138.6-51.9169.7000116.3
888R24.1Very low25.8Very low244 Ų244139 Ų13992%0.92170%0.7SS**  trans-116.8116.2168.3-88.8-175.4175176.30.3112
889T26.3Very low25.6Very low100 Ų100141.3 Ų141.361%0.61371%0.712SS**  trans-78.1129.3173-8.60000110.8
890V24.6Very low25.5Very low97 Ų97142.6 Ų142.659%0.58872%0.715SS**  trans-88.4106.7171-179.30000108.5
891V25.3Very low25.8Very low66 Ų66141.7 Ų141.740%0.472%0.717SS.*  trans-105.2105.2-177.5177.30000109.2L858 R893L858-V891 HydrophobicContact CD1-CG2 4.44Å; V891-R893 HydrophobicContact CG1-CB 4.1Å; V891-R893 HydrophobicContact CG1-CG 3.44Å; V891-R893 VanDerWaalsContact CG1-CG 3.44Å; V891-R893 PolarHBondContact O-N 3.11Å
892I23.8Very low25.7Very low123 Ų123143.8 Ų143.863%0.63173%0.732SS**  trans-81.988.8169.3-55.8176000107.2
893R23.2Very low25.5Very low214 Ų214146.9 Ų146.981%0.80874%0.738SS**  trans-94.5107.4179.6-100.6167.4-165.7-179.18.1110.5V891V891-R893 HydrophobicContact CG1-CB 4.1Å; V891-R893 HydrophobicContact CG1-CG 3.44Å; V891-R893 VanDerWaalsContact CG1-CG 3.44Å; V891-R893 PolarHBondContact O-N 3.11Å
894S25.7Very low25.6Very low95 Ų95150.5 Ų150.566%0.66476%0.763SS**  trans-103.775.5157.448.70000108.6
895D26.2Very low25.5Very low146 Ų146150.1 Ų150.178%0.78176%0.762SS**  trans-169.1101.9157.3-99.6-22.9000108.8
896R23.5Very low25.5Very low210 Ų210152.7 Ų152.779%0.79277%0.767SS**  trans-80.2113.1158.8-76.8-179.9176.3-176.10.4105.1
897H25.9Very low25.4Very low172 Ų172149 Ų14980%0.79677%0.765SS**  trans-175.6105.4136.2-88.3-57.9000110.5
898Q24.7Very low25.4Very low179 Ų179148.4 Ų148.484%0.83676%0.762SS**  trans52.6108.9142.7-61.8177.67.100120.7
899S25.1Very low25.4Very low118 Ų118146 Ų14683%0.82576%0.761SS**  -160.4115.6122.341.70000109.3
900K23.8Very low25.3Very low187 Ų187146.6 Ų146.681%0.81377%0.767SS**  trans-74.5130.7173.8-76.7177.1174.1178.80108.7
901P33.9Very low25.3Very low124 Ų124147.4 Ų147.481%0.80578%0.777SS**  trans-93.5129.9163.133.3-24.7000109.4
902P24.3Very low25.2Very low106 Ų106154.3 Ų154.369%0.68880%0.801SS**  trans-116.7115.8159.329.9-14.7000110.8
903E23.7Very low25.2Very low192 Ų192153 Ų15390%0.89780%0.803SS**  55.4107.6127.2-62174.6-178.500118.8
904S27.4Very low25.3Very low123 Ų123149.3 Ų149.386%0.8681%0.805SS**  trans-138.1124.3139.253.70000110.1
905N22.8Very low25.2Very low144 Ų144149.9 Ų149.977%0.7780%0.8SS**  trans-56.8146.6175.9-70.8-43.5000112.1
906N26.9Very low25.1Very low163 Ų163148.3 Ų148.387%0.87280%0.798SS**  -170.6120121.6-89.3-24.1000111.7I908N906-I908 PolarHBondContact O-N 3.21Å
907N24.8Very low25.1Very low157 Ų157143.6 Ų143.684%0.8478%0.784SS**  trans-60.1120.7170.6-63.9-39.2000111.3
908I27Very low25.3Very low156 Ų156141.4 Ų141.480%0.878%0.782SS**  trans-145.4107.7143.9-58.5-175.8000106.3N906 P910N906-I908 PolarHBondContact O-N 3.21Å; I908-P910 VanDerWaalsContact O-CD 3.25Å; I908-P910 WeakPolarHBondContact O-CD 3.25Å
909E24Very low25.2Very low193 Ų193138.8 Ų138.890%0.90277%0.765SS**  trans-65.9119.1167.6-73.2178.9135.600109.8
910P25.4Very low25.3Very low114 Ų114139 Ų13974%0.7476%0.757SS**  trans-97.2120.9160.516.64.3000108.7I908I908-P910 VanDerWaalsContact O-CD 3.25Å; I908-P910 WeakPolarHBondContact O-CD 3.25Å
911S23.8Very low25.5Very low113 Ų113132.6 Ų132.679%0.7974%0.735SS**  trans-14.7122.6163.350.60000116.5S913S911-S913 PolarHBondContact O-N 2.8Å; S911-S913 VanDerWaalsContact O-N 3.12Å
912K24.3Very low25.2Very low211 Ų211135.1 Ų135.192%0.91773%0.733SS**  trans-37.4106.2168.7-67.5170.7176.8175.30113
913S23.6Very low25.3Very low96 Ų96139.2 Ų139.267%0.67174%0.743SS**  trans-77.2127.5158.552.90000108.7S911 D915S911-S913 PolarHBondContact O-N 2.8Å; S911-S913 VanDerWaalsContact O-N 3.12Å; S913-D915 PolarHBondContact O-N 2.8Å; S913-D915 VanDerWaalsContact O-N 3.11Å
914T23.6Very low25.4Very low136 Ų136137.5 Ų137.583%0.83474%0.737SS**  trans-58.6107.4176.6-38.20000109.9
915D23.7Very low25.3Very low107 Ų107138.5 Ų138.557%0.57273%0.733SS**PPolyproline II helixtrans-68.7133.3179-75.2-38.8000111.1S913S913-D915 PolarHBondContact O-N 2.8Å; S913-D915 VanDerWaalsContact O-N 3.11Å
916P25.4Very low25.4Very low113 Ų113140.1 Ų140.173%0.73474%0.741SS**PPolyproline II helixtrans-78.4133-179.430.9-32000111.3
917F23.8Very low25.5Very low112 Ų112137.3 Ų137.349%0.49173%0.734SS.*PPolyproline II helixtrans-83.8131.3-176.4-56.3-100.6000111.8V881V881-F917 HydrophobicContact CG1-CB 3.09Å; V881-F917 HydrophobicContact CG1-CD1 3.87Å; V881-F917 HydrophobicContact CG1-CD2 4.5Å; V881-F917 HydrophobicContact CG1-CG 3.63Å
918V28.6Very low25.6Very low125 Ų125134.1 Ų134.176%0.75874%0.739SS**  trans-136.1137.3173.3-179.30000110.2
919Y23.7Very low25.7Very low124 Ų124129.5 Ų129.549%0.48673%0.73SS.*  trans-62.4128.3-175.9-176.6-101.9000113.7I873 P921I873-Y919 HydrophobicContact CD1-CD1 4.4Å; Y919-P921 HydrophobicContact CD1-CB 4.35Å; Y919-P921 HydrophobicContact CD1-CG 4.08Å; Y919-P921 HydrophobicContact CE1-CB 3.65Å; Y919-P921 HydrophobicContact CE1-CG 3.75Å
920N27.7Very low25.9Very low122 Ų122127.3 Ų127.365%0.65273%0.73SS**  trans-114.6100.8165.4-17018.6000109.2
921P26.4Very low26Very low53 Ų53130.9 Ų130.934%0.34473%0.733SS.*  trans-70.3145.3169.129.9-25.6000108.1Y919Y919-P921 HydrophobicContact CD1-CB 4.35Å; Y919-P921 HydrophobicContact CD1-CG 4.08Å; Y919-P921 HydrophobicContact CE1-CB 3.65Å; Y919-P921 HydrophobicContact CE1-CG 3.75Å
922F29Very low26.3Very low178 Ų178133.9 Ų133.978%0.78174%0.735SS**  trans90.383.1-176-40.7-60.8000115.2M924F922-M924 VanDerWaalsContact C-N 3.34Å; F922-M924 PolarHBondContact O-N 2.92Å
923Q24.9Very low26.7Very low191 Ų191128.6 Ų128.689%0.89372%0.724SS**  trans-53.397.8149.3-74.3172.8-18.400108.8D925Q923-D925 PolarHBondContact O-N 3.22Å
924M25.9Very low27.5Very low156 Ų156130 Ų13077%0.76872%0.723SS**  trans-80.7109.6157.4-81.117368.400106.5F922 N926F922-M924 VanDerWaalsContact C-N 3.34Å; F922-M924 PolarHBondContact O-N 2.92Å; M924-N926 PolarHBondContact O-N 2.79Å; M924-N926 VanDerWaalsContact O-N 3.14Å
925D25.3Very low28.3Very low144 Ų144128.1 Ų128.177%0.7771%0.707SS**  trans-43.3123171.4-77.8-40.6000109.7Q923 S927Q923-D925 PolarHBondContact O-N 3.22Å; D925-S927 PolarHBondContact O-N 3.4Å
926N26.1Very low29.4Very low178 Ų178126.2 Ų126.295%0.95270%0.697SS**  trans-63.867.7176.1-83.7-35.6000110.9M924M924-N926 PolarHBondContact O-N 2.79Å; M924-N926 VanDerWaalsContact O-N 3.14Å
927S28.4Very low30.4Very low104 Ų104121.9 Ų121.973%0.72767%0.666SS**  trans-107.3101.516667.90000108.5D925 G929D925-S927 PolarHBondContact O-N 3.4Å; S927-G929 PolarHBondContact O-N 3.24Å
928G27.2Very low31.5Very low90 Ų90120.5 Ų120.593%0.92866%0.662SS**  trans-51.8119.1-172.400000114.3
929G28.5Very low32.4Very low59 Ų59115 Ų11561%0.60863%0.629SS**  trans-170.9115.9166.600000107.1S927 K931S927-G929 PolarHBondContact O-N 3.24Å; G929-K931 VanDerWaalsContact C-N 3.35Å; G929-K931 PolarHBondContact O-N 3.11Å
930T28.7Very low33.4Very low147 Ų147113.6 Ų113.690%0.90263%0.627SS**  trans-56.987.3-174.847.90000111.7
931K27.2Very low34.1Very low189 Ų189111.4 Ų111.482%0.82261%0.613SS**  trans-98.9126.1167.7-76.7-174.1175.1-1770108.4G929G929-K931 VanDerWaalsContact C-N 3.35Å; G929-K931 PolarHBondContact O-N 3.11Å
932H30.8Very low35Very low177 Ų177111.2 Ų111.282%0.81961%0.612SS**  trans-57.3135.6175-62.5-51.1000110I934H932-I934 PolarHBondContact O-N 3.36Å; H932-I934 VanDerWaalsContact O-N 3.13Å
933S32Very low36.2Very low99 Ų99103 Ų10369%0.69258%0.577SS**  trans-70.8103.4177.551.10000109.4
934I39.7Very low37.6Very low126 Ų12699.5 Ų99.565%0.64656%0.557SS**  trans-78.4136.3175.1-59166.1000107.5H932 D936 H1014H932-I934 PolarHBondContact O-N 3.36Å; H932-I934 VanDerWaalsContact O-N 3.13Å; I934-D936 WeakPolarHBondContact CG2-OD1 3.06Å; I934-H1014 WeakPolarHBondContact CG2-ND1 3.49Å
935I40.9Very low39.1Very low96 Ų9692.1 Ų92.149%0.49252%0.52SS..  trans-110.5120.6177.6-60.1174000107.4
936D47.7Very low40.6Very low68 Ų6887.2 Ų87.236%0.36449%0.493SS..EExtended strand (participates in β ladder)trans-95.2134.2-175.1-57.2-8.4000109.7I934 L1012 H1014I934-D936 WeakPolarHBondContact CG2-OD1 3.06Å; D936-L1012 HydrophobicContact CB-CD2 3.96Å; D936-H1014 VanDerWaalsContact CG-CE1 3.41Å; D936-H1014 IonicContact OD1-CE1 3.68Å; D936-H1014 PolarHBondContact OD1-CE1 2.86Å; D936-H1014 IonicContact OD1-ND1 3.43Å; D936-H1014 PolarHBondContact OD1-ND1 3.21Å; D936-H1014 IonicContact OD2-CE1 2.58Å
937W47Very low42.1Very low22 Ų2278.8 Ų78.88%0.08345%0.448CS..EExtended strand (participates in β ladder)trans-100.5141.3177.1-71.1-0.8000110.6I861 I945 L966 L1012 I1013 L1015 V1105 P1107I861-W937 HydrophobicContact CG2-CZ2 4.23Å; W937-I945 HydrophobicContact CH2-CD1 3.73Å; W937-I945 HydrophobicContact CH2-CG1 3.53Å; W937-I945 HydrophobicContact CZ2-CG1 4.01Å; W937-L966 HydrophobicContact CE3-CD2 4.44Å; W937-L966 HydrophobicContact CZ3-CD2 4.43Å; W937-L1012 CarbonylContact O-C 3.48Å; W937-L1012 WeakPolarHBondContact O-CA 3.31Å; W937-I1013 PolarHBondContact N-O 2.89Å; W937-I1013 PolarHBondContact O-N 2.76Å; W937-L1015 HydrophobicContact CH2-CD1 4.34Å; W937-L1015 HydrophobicContact CZ3-CD1 4.34Å; W937-V1105 HydrophobicContact CH2-CB 4.42Å; W937-V1105 HydrophobicContact CZ3-CB 4.04Å; W937-V1105 HydrophobicContact CZ3-CG1 4.22Å; W937-P1107 HydrophobicContact CE3-CG 4.4Å
938I45.3Very low43.7Very low82 Ų8275.9 Ų75.942%0.42142%0.424SS..EExtended strand (participates in β ladder)trans-90.4133.3176.5-59.8171000108.1E940 E941 L1012I938-E940 PolarHBondContact O-N 3.21Å; I938-E941 HydrophobicContact CB-CG 4.34Å; I938-E941 HydrophobicContact CG2-CG 4.49Å; I938-E941 PolarHBondContact O-N 3.24Å; I938-L1012 HydrophobicContact CG1-CD2 3.75Å
939C47.4Very low45.1Very low10 Ų1071.7 Ų71.77%0.06838%0.38CS..THydrogen-bonded Turntrans-53.4141.5175.1-60.50000111.1E941 N1011 I1013 Y1127C939-E941 PolarHBondContact O-N 3.1Å; C939-N1011 HydrophobicContact CB-CB 3.93Å; C939-N1011 PolarHBondContact N-O 2.87Å; C939-N1011 PolarHBondContact SG-O 3.36Å; C939-I1013 HydrophobicContact CB-CD1 4.43Å; C939-I1013 WeakPolarHBondContact SG-CD1 3.4Å; C939-I1013 VanDerWaalsContact SG-CG1 3.58Å; C939-Y1127 VanDerWaalsContact SG-CE1 3.51Å
940E45.3Very low46.4Very low94 Ų9469.7 Ų69.744%0.43936%0.355SS..THydrogen-bonded Turntrans71.5-8.5-177.4-48.9-164.6171.100116.4I938 P1107 T1108 F1179I938-E940 PolarHBondContact O-N 3.21Å; E940-P1107 WeakPolarHBondContact CA-O 3.49Å; E940-P1107 PolarHBondContact N-O 3.37Å; E940-T1108 HydrophobicContact CG-CG2 4.4Å; E940-F1179 VanDerWaalsContact OE2-CD1 3.28Å; E940-F1179 WeakPolarHBondContact OE2-CD1 3.34Å; E940-F1179 VanDerWaalsContact OE2-CE1 3.22Å; E940-F1179 WeakPolarHBondContact OE2-CE1 3.03Å
941E43.2Very low47.9Very low76 Ų7662.7 Ų62.736%0.35531%0.312SS..SBendtrans-86133.4169.7-68.1-167.6164.700111.2I938 C939 G943I938-E941 HydrophobicContact CB-CG 4.34Å; I938-E941 HydrophobicContact CG2-CG 4.49Å; I938-E941 PolarHBondContact O-N 3.24Å; C939-E941 PolarHBondContact O-N 3.1Å; E941-G943 PolarHBondContact O-N 3.49Å
942P44.3Very low48.9Very low49 Ų4959.9 Ų59.932%0.31830%0.3SS..PPolyproline II helixtrans-68.811817926.4-32.3000111.3Y944 V1106P942-Y944 HydrophobicContact CB-CE2 4.41Å; P942-V1106 HydrophobicContact CB-CG2 4.11Å
943G54.2Low49.5Very low5 Ų554.7 Ų54.75%0.05228%0.278CS..EExtended strand (participates in β ladder)trans-92.4136.4169.900000111E941 V1105E941-G943 PolarHBondContact O-N 3.49Å; G943-V1105 PolarHBondContact N-O 3.12Å; G943-V1105 PolarHBondContact O-N 3.42Å
944Y53.9Low50Low119 Ų11954 Ų5447%0.46727%0.271SS..EExtended strand (participates in β ladder)trans-108.5135.9176.4-68.3-83.3000110.6P862 P942P862-Y944 WeakPolarHBondContact CD-O 3.27Å; P942-Y944 HydrophobicContact CB-CE2 4.41Å
945I57.1Low50.1Low0 Ų052 Ų520%026%0.261CS..EExtended strand (participates in β ladder)trans-122.8114.6177.2-46.9177.9000107.6I859 W937 M947 V964 L1015 I1018 I1103 V1105I859-I945 HydrophobicContact CG2-CG2 3.66Å; W937-I945 HydrophobicContact CH2-CD1 3.73Å; W937-I945 HydrophobicContact CH2-CG1 3.53Å; W937-I945 HydrophobicContact CZ2-CG1 4.01Å; I945-M947 HydrophobicContact CG2-CG 4.09Å; I945-V964 HydrophobicContact CD1-CG1 4.45Å; I945-L1015 HydrophobicContact CD1-CD1 3.75Å; I945-L1015 HydrophobicContact CD1-CD2 4.03Å; I945-I1018 HydrophobicContact CB-CD1 4.48Å; I945-I1018 HydrophobicContact CD1-CD1 3.59Å; I945-I1018 HydrophobicContact CD1-CG1 4.38Å; I945-I1018 HydrophobicContact CG2-CD1 3.55Å; I945-I1103 HydrophobicContact CB-CB 4.44Å; I945-I1103 PolarHBondContact N-O 3.38Å; I945-I1103 PolarHBondContact O-N 3.03Å; I945-V1105 HydrophobicContact CD1-CG2 4.02Å
946E58.7Low50.3Low41 Ų4150.1 Ų50.119%0.19225%0.252CS..EExtended strand (participates in β ladder)trans-97.4116.1172.6-62.9-172.4143.600109.9I859 N860 P862 K1100I859-E946 CarbonylContact C-O 3.52Å; I859-E946 WeakPolarHBondContact CA-O 3.41Å; N860-E946 HydrophobicContact CB-CB 4.2Å; N860-E946 PolarHBondContact N-O 2.79Å; N860-E946 PolarHBondContact ND2-OE2 3.07Å; N860-E946 PolarHBondContact O-N 2.82Å; P862-E946 HydrophobicContact CG-CG 4.45Å; E946-K1100 WeakPolarHBondContact OE1-CE 3.49Å; E946-K1100 IonicContact OE1-NZ 3.57Å; E946-K1100 PolarHBondContact OE1-NZ 2.86Å; E946-K1100 WeakPolarHBondContact OE2-CE 3.38Å; E946-K1100 IonicContact OE2-NZ 2.72Å; E946-K1100 PolarHBondContact OE2-NZ 3.44Å
947M57Low50.3Low2 Ų247.1 Ų47.11%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-107130.9176.2-61.117670.700109.6V856 L858 I859 I945 V949 I1018 L1101 I1103V856-M947 HydrophobicContact CB-CE 4.12Å; V856-M947 HydrophobicContact CG1-CB 4.1Å; V856-M947 HydrophobicContact CG1-CE 3.63Å; V856-M947 HydrophobicContact CG1-CG 4.38Å; V856-M947 HydrophobicContact CG2-CE 3.36Å; L858-M947 CarbonylContact O-C 3.45Å; L858-M947 VanDerWaalsContact O-CA 3.3Å; L858-M947 WeakPolarHBondContact O-CA 3.49Å; I859-M947 HydrophobicContact CG1-CG 4.3Å; I945-M947 HydrophobicContact CG2-CG 4.09Å; M947-V949 HydrophobicContact CB-CG2 4.3Å; M947-I1018 HydrophobicContact CE-CG2 4.02Å; M947-I1018 HydrophobicContact SD-CD1 4.25Å; M947-I1018 HydrophobicContact SD-CG2 3.88Å; M947-L1101 HydrophobicContact CB-CB 4.37Å; M947-L1101 HydrophobicContact CB-CD2 4.35Å; M947-L1101 PolarHBondContact N-O 3.19Å; M947-L1101 WeakPolarHBondContact O-CA 3.36Å; M947-L1101 PolarHBondContact O-N 3.29Å; M947-L1101 HydrophobicContact SD-CD2 4.23Å; M947-I1103 HydrophobicContact CG-CD1 4.26Å; M947-I1103 HydrophobicContact SD-CD1 3.36Å; M947-I1103 WeakPolarHBondContact SD-CD1 3.27Å
948I61.3Low50.5Low43 Ų4351 Ų5122%0.22125%0.25CS..EExtended strand (participates in β ladder)trans-97.9120.7169.6-58.7-176.8000107.1V856 R857 L858 I1099V856-I948 CarbonylContact C-O 3.52Å; V856-I948 WeakPolarHBondContact CA-O 3.3Å; R857-I948 HydrophobicContact CB-CB 4.34Å; R857-I948 HydrophobicContact CB-CG2 4.15Å; R857-I948 WeakPolarHBondContact CB-O 3.42Å; R857-I948 PolarHBondContact N-O 3.41Å; L858-I948 HydrophobicContact CB-CB 4.03Å; L858-I948 HydrophobicContact CB-CD1 3.86Å; L858-I948 HydrophobicContact CB-CG1 4Å; L858-I948 HydrophobicContact CD2-CD1 3.62Å; L858-I948 HydrophobicContact CD2-CG1 4.32Å; L858-I948 HydrophobicContact CG-CD1 4.39Å; L858-I948 PolarHBondContact O-N 2.74Å; I948-I1099 CarbonylContact C-O 3.58Å; I948-I1099 WeakPolarHBondContact CA-O 3.05Å
949V57.5Low50.8Low1 Ų148.1 Ų48.11%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-119.7136.8-173.8-172.20000110.3P854 V856 M947 L1020 L1092 I1099 L1101P854-V949 HydrophobicContact CB-CG1 4.27Å; V856-V949 HydrophobicContact CG2-CG2 4.42Å; M947-V949 HydrophobicContact CB-CG2 4.3Å; V949-L1020 HydrophobicContact CG1-CD2 4.49Å; V949-L1092 HydrophobicContact CG1-CD1 4.25Å; V949-I1099 PolarHBondContact N-O 3.34Å; V949-I1099 WeakPolarHBondContact O-CB 3Å; V949-I1099 WeakPolarHBondContact O-CG1 3.46Å; V949-I1099 PolarHBondContact O-N 2.98Å; V949-L1101 HydrophobicContact CG2-CB 4.46Å
950D54.4Low50.7Low17 Ų1749.3 Ų49.39%0.09124%0.244CC..EExtended strand (participates in β ladder)trans-106.3122.1174.7-68.8-11.6000109.7P854 N1097 G1098P854-D950 WeakPolarHBondContact CA-O 3.35Å; P854-D950 WeakPolarHBondContact CB-O 3.41Å; D950-N1097 HydrophobicContact CB-CB 4.47Å; D950-N1097 WeakPolarHBondContact OD1-CA 3.24Å; D950-G1098 PolarHBondContact OD1-N 3.2Å
951N60.6Low50.6Low0 Ų049.4 Ų49.40%025%0.248CC..EExtended strand (participates in β ladder)trans-10093.7165.4-179.811.4000109.8L953 I955 L957 L1092 P1093 H1095 T1096N951-L953 VanDerWaalsContact C-N 3.32Å; N951-L953 WeakPolarHBondContact OD1-CB 3.48Å; N951-L953 PolarHBondContact OD1-N 2.99Å; N951-I955 PolarHBondContact ND2-O 2.83Å; N951-L957 HydrophobicContact CB-CD1 4.42Å; N951-L957 WeakPolarHBondContact ND2-CG 3.18Å; N951-L957 WeakPolarHBondContact OD1-CD1 3.44Å; N951-L1092 HydrophobicContact CB-CB 4.07Å; N951-L1092 PolarHBondContact ND2-O 2.92Å; N951-P1093 WeakPolarHBondContact CB-O 3.42Å; N951-P1093 PolarHBondContact ND2-O 3.47Å; N951-H1095 CarbonylContact O-C 3.43Å; N951-H1095 WeakPolarHBondContact O-CA 3.46Å; N951-H1095 PolarHBondContact O-N 3.31Å; N951-T1096 CarbonylContact C-O 2.98Å; N951-T1096 PolarHBondContact N-O 3.23Å; N951-T1096 PolarHBondContact O-N 2.81Å
952K49.5Very low50.9Low131 Ų13147.3 Ų47.357%0.5724%0.239SC*.  trans-81.8-7.5177.2-65.6-172.5-179.5177.20113.9H1095K952-H1095 PolarHBondContact O-ND1 2.89Å
953L43.3Very low50.9Low68 Ų6850.3 Ų50.336%0.35625%0.248SC..SBendtrans-75.3145.1-178.1-64.7-179.6000110.7N951 I955 L957 S1094 H1095N951-L953 VanDerWaalsContact C-N 3.32Å; N951-L953 WeakPolarHBondContact OD1-CB 3.48Å; N951-L953 PolarHBondContact OD1-N 2.99Å; L953-I955 PolarHBondContact O-N 2.8Å; L953-L957 HydrophobicContact CB-CD1 4.4Å; L953-L957 HydrophobicContact CB-CD2 4.36Å; L953-L957 HydrophobicContact CB-CG 4.47Å; L953-L957 HydrophobicContact CD1-CD1 3.81Å; L953-L957 HydrophobicContact CD1-CD2 3.66Å; L953-L957 HydrophobicContact CD1-CG 4.22Å; L953-L957 HydrophobicContact CG-CD1 4.34Å; L953-S1094 CarbonylContact O-C 3.46Å; L953-S1094 VanDerWaalsContact O-CA 3.22Å; L953-S1094 WeakPolarHBondContact O-CA 3.09Å; L953-S1094 VanDerWaalsContact O-CB 3.29Å; L953-S1094 WeakPolarHBondContact O-CB 3.35Å; L953-H1095 PolarHBondContact O-N 2.77Å
954P41.1Very low50.5Low85 Ų8551.1 Ų51.155%0.55225%0.252SS*.SBendtrans-72.18.117729.8-35000113.7H1095P954-H1095 VanDerWaalsContact CA-NE2 3.3Å; P954-H1095 WeakPolarHBondContact CA-NE2 3.19Å; P954-H1095 VanDerWaalsContact CB-NE2 3.28Å; P954-H1095 WeakPolarHBondContact CB-NE2 3.48Å
955I42.3Very low50.1Low84 Ų8450.9 Ų50.943%0.43126%0.255SS..SBendtrans-127136.7-176.7-53.8171.8000107.4N951 L953 L957 P1025 S1094N951-I955 PolarHBondContact ND2-O 2.83Å; L953-I955 PolarHBondContact O-N 2.8Å; I955-L957 PolarHBondContact O-N 3.28Å; I955-P1025 HydrophobicContact CG2-CG 4.07Å; I955-S1094 VanDerWaalsContact C-CB 3.49Å
956D45.7Very low49.8Very low55 Ų5552.2 Ų52.229%0.29426%0.263SS..PPolyproline II helixtrans-61.5123.2173.7-67.3-7.2000108.5P1025 K1091 L1092 P1093 S1094D956-P1025 WeakPolarHBondContact O-CD 3.42Å; D956-K1091 HydrophobicContact CB-CB 4.44Å; D956-K1091 HydrophobicContact CB-CD 4.28Å; D956-L1092 WeakPolarHBondContact CA-O 3.44Å; D956-P1093 WeakPolarHBondContact OD1-CA 3.31Å; D956-S1094 WeakPolarHBondContact OD1-CB 3.3Å; D956-S1094 PolarHBondContact OD1-N 2.82Å; D956-S1094 PolarHBondContact OD1-OG 3.11Å
957L46.3Very low49.2Very low5 Ų553.8 Ų53.83%0.02627%0.271CS..EExtended strand (participates in β ladder)trans-95.9129.9-179.9-55.1174.1000109.1P854 N951 L953 I955 V1022 T1024 K1091 L1092P854-L957 HydrophobicContact CG-CD1 4.42Å; N951-L957 HydrophobicContact CB-CD1 4.42Å; N951-L957 WeakPolarHBondContact ND2-CG 3.18Å; N951-L957 WeakPolarHBondContact OD1-CD1 3.44Å; L953-L957 HydrophobicContact CB-CD1 4.4Å; L953-L957 HydrophobicContact CB-CD2 4.36Å; L953-L957 HydrophobicContact CB-CG 4.47Å; L953-L957 HydrophobicContact CD1-CD1 3.81Å; L953-L957 HydrophobicContact CD1-CD2 3.66Å; L953-L957 HydrophobicContact CD1-CG 4.22Å; L953-L957 HydrophobicContact CG-CD1 4.34Å; I955-L957 PolarHBondContact O-N 3.28Å; L957-V1022 HydrophobicContact CB-CB 4.35Å; L957-V1022 HydrophobicContact CB-CG1 3.3Å; L957-V1022 HydrophobicContact CD1-CG1 4.37Å; L957-V1022 HydrophobicContact CG-CG1 4.42Å; L957-T1024 HydrophobicContact CD2-CG2 3.67Å; L957-K1091 CarbonylContact O-C 3.29Å; L957-K1091 WeakPolarHBondContact O-CA 3.41Å; L957-L1092 HydrophobicContact CB-CB 4.47Å; L957-L1092 PolarHBondContact N-O 2.93Å; L957-L1092 PolarHBondContact O-N 3.03Å
958R51.6Low48.7Very low103 Ų10355.9 Ų55.939%0.38928%0.284SS..EExtended strand (participates in β ladder)trans-89.8125177.2-179.8-176.3175-172-3.1109S960 V1022 E1023 N1089R958-S960 PolarHBondContact O-N 3.43Å; R958-V1022 VanDerWaalsContact C-CG1 3.44Å; R958-V1022 CarbonylContact O-C 3.4Å; R958-V1022 VanDerWaalsContact O-CA 3.3Å; R958-V1022 WeakPolarHBondContact O-CA 3.4Å; R958-V1022 WeakPolarHBondContact O-CG1 3.47Å; R958-E1023 PolarHBondContact N-O 2.87Å; R958-E1023 PolarHBondContact O-N 2.9Å; R958-N1089 HydrophobicContact CG-CB 4.11Å; R958-N1089 VanDerWaalsContact CZ-CG 3.44Å; R958-N1089 PolarHBondContact NE-OD1 3.05Å; R958-N1089 PolarHBondContact NH2-ND2 2.94Å; R958-N1089 PolarHBondContact NH2-OD1 3.21Å
959I51.6Low47.8Very low22 Ų2255.1 Ų55.111%0.11328%0.282CS..EExtended strand (participates in β ladder)trans-65.6118.1171.6-60.5170.7000107.8L1020 V1022 C1090 L1092 L1101I959-L1020 HydrophobicContact CD1-CD1 4.45Å; I959-L1020 HydrophobicContact CG1-CD1 4.41Å; I959-L1020 HydrophobicContact CG2-CD1 3.61Å; I959-V1022 HydrophobicContact CG1-CG1 4.45Å; I959-C1090 PolarHBondContact N-O 3.48Å; I959-L1092 HydrophobicContact CD1-CD1 4.34Å; I959-L1092 HydrophobicContact CD1-CD2 4.33Å; I959-L1092 HydrophobicContact CD1-CG 4.14Å; I959-L1092 HydrophobicContact CG1-CD1 3.98Å; I959-L1092 HydrophobicContact CG1-CG 4.05Å; I959-L1101 HydrophobicContact CD1-CD1 4.24Å
960S45.6Very low47.1Very low35 Ų3562.2 Ų62.225%0.24532%0.319CS..EExtended strand (participates in β ladder)trans-92.5-57.4-179.350.40000111.2R958 T1021 E1023R958-S960 PolarHBondContact O-N 3.43Å; S960-T1021 PolarHBondContact N-O 2.84Å; S960-T1021 VanDerWaalsContact OG-C 3.28Å; S960-T1021 WeakPolarHBondContact OG-CB 3.31Å; S960-T1021 PolarHBondContact OG-O 3.44Å; S960-T1021 PolarHBondContact OG-OG1 3.48Å; S960-E1023 VanDerWaalsContact CB-CD 3.45Å; S960-E1023 VanDerWaalsContact CB-OE1 3.26Å; S960-E1023 WeakPolarHBondContact CB-OE1 3.48Å
961D44.5Very low46.1Very low97 Ų9766.3 Ų66.352%0.51934%0.34SS..EExtended strand (participates in β ladder)trans-134.8159.9174.3-64.4-56.6000113.4T1021D961-T1021 VanDerWaalsContact CA-OG1 3.24Å; D961-T1021 WeakPolarHBondContact CA-OG1 3.26Å; D961-T1021 WeakPolarHBondContact CB-OG1 3.44Å; D961-T1021 PolarHBondContact N-O 3.32Å; D961-T1021 PolarHBondContact N-OG1 3.27Å; D961-T1021 PolarHBondContact O-N 3.28Å; D961-T1021 PolarHBondContact O-OG1 2.95Å; D961-T1021 VanDerWaalsContact O-OG1 3.06Å
962L47.6Very low44.7Very low31 Ų3169.3 Ų69.316%0.16237%0.371CS..EExtended strand (participates in β ladder)trans-138.1117.5174.6171.471.6000108.3I1018 S1019 L1020 I1103 I1132L962-I1018 HydrophobicContact CD1-CG2 3.81Å; L962-S1019 CarbonylContact C-O 3.55Å; L962-S1019 WeakPolarHBondContact CA-O 3.49Å; L962-L1020 HydrophobicContact CB-CD1 4.32Å; L962-L1020 HydrophobicContact CD1-CB 4.43Å; L962-L1020 HydrophobicContact CD1-CD1 3.94Å; L962-I1103 HydrophobicContact CD1-CD1 3.95Å; L962-I1103 HydrophobicContact CD2-CD1 3.67Å; L962-I1103 HydrophobicContact CD2-CG1 4.07Å; L962-I1103 HydrophobicContact CD2-CG2 4.01Å; L962-I1103 HydrophobicContact CG-CD1 4.47Å; L962-I1132 HydrophobicContact CD2-CG2 3.9Å
963H44.2Very low43.6Very low112 Ų11270.3 Ų70.352%0.51938%0.382SS..EExtended strand (participates in β ladder)trans-109.3141.3173.9-63.2-98.9000111.1I1018 S1019H963-I1018 CarbonylContact O-C 3.52Å; H963-I1018 WeakPolarHBondContact O-CA 3.33Å; H963-S1019 WeakPolarHBondContact CB-OG 3.12Å; H963-S1019 PolarHBondContact N-O 3.11Å; H963-S1019 PolarHBondContact O-N 2.87Å
964V47.1Very low42.7Very low23 Ų2372.4 Ų72.414%0.13940%0.402CS..EExtended strand (participates in β ladder)trans-128.8118.7176.5179.80000107.5I945 L966 L1015 I1018 V1105I945-V964 HydrophobicContact CD1-CG1 4.45Å; V964-L966 HydrophobicContact CG1-CD2 4.24Å; V964-L966 HydrophobicContact CG1-CG 4.42Å; V964-L1015 HydrophobicContact CG1-CD1 3.46Å; V964-L1015 VanDerWaalsContact CG1-CD1 3.46Å; V964-I1018 HydrophobicContact CG2-CG2 4.32Å; V964-V1105 HydrophobicContact CG2-CG2 4.4Å
965E45.6Very low41.9Very low113 Ų11373.1 Ų73.153%0.52841%0.405SS..EExtended strand (participates in β ladder)trans-98.7133.6178.7-70-175.4159.200110.7E1016 A1017E965-E1016 HydrophobicContact CB-CB 4.37Å; E965-E1016 PolarHBondContact O-N 2.69Å; E965-A1017 HydrophobicContact CB-CB 4.21Å; E965-A1017 PolarHBondContact N-O 3.44Å; E965-A1017 PolarHBondContact O-N 2.72Å
966L49.9Very low41Very low29 Ų2979 Ų7915%0.15243%0.427CS..EExtended strand (participates in β ladder)trans-128.8130-172.3-65.3176000109.8W937 V964 I1013 H1014 L1015 P1107 V1129W937-L966 HydrophobicContact CE3-CD2 4.44Å; W937-L966 HydrophobicContact CZ3-CD2 4.43Å; V964-L966 HydrophobicContact CG1-CD2 4.24Å; V964-L966 HydrophobicContact CG1-CG 4.42Å; L966-I1013 HydrophobicContact CB-CG2 3.69Å; L966-I1013 HydrophobicContact CD1-CG2 4.45Å; L966-I1013 HydrophobicContact CD2-CG2 4.16Å; L966-I1013 HydrophobicContact CG-CG2 4.32Å; L966-H1014 CarbonylContact C-O 3.49Å; L966-H1014 WeakPolarHBondContact CA-O 3.47Å; L966-L1015 HydrophobicContact CD2-CB 4.48Å; L966-L1015 HydrophobicContact CD2-CD1 3.84Å; L966-P1107 HydrophobicContact CD1-CB 3.69Å; L966-V1129 HydrophobicContact CD1-CG2 3.6Å
967M46.3Very low40Very low74 Ų7484 Ų8437%0.36545%0.449SS..EExtended strand (participates in β ladder)trans-108.9136.5176.6-77.3-167.785.900112.4I1013 H1014 E1016M967-I1013 CarbonylContact O-C 3.49Å; M967-I1013 WeakPolarHBondContact O-CA 3.16Å; M967-H1014 HydrophobicContact CB-CB 4.48Å; M967-H1014 PolarHBondContact N-O 3.45Å; M967-H1014 PolarHBondContact O-N 3.35Å; M967-E1016 HydrophobicContact CG-CB 3.98Å; M967-E1016 HydrophobicContact CG-CG 4.24Å; M967-E1016 WeakPolarHBondContact CG-OE2 3.26Å; M967-E1016 HydrophobicContact SD-CG 4.22Å
968P46.7Very low38.9Very low45 Ų4589.8 Ų89.829%0.29249%0.485SS..EExtended strand (participates in β ladder)trans-60.6137.5166.511.7-19.4000113N970 Y1127P968-N970 PolarHBondContact O-N 2.95Å; P968-N970 VanDerWaalsContact O-N 3.11Å; P968-Y1127 HydrophobicContact CB-CD2 4.36Å; P968-Y1127 HydrophobicContact CB-CE2 3.42Å; P968-Y1127 VanDerWaalsContact CB-CE2 3.42Å; P968-Y1127 HydrophobicContact CG-CD2 4.32Å; P968-Y1127 HydrophobicContact CG-CE2 3.68Å
969V43.4Very low37.5Very low28 Ų2890.2 Ų90.217%0.1750%0.504CS..  trans-78.392.7165.9-167.50000108.6I971 L1012 H1014V969-I971 HydrophobicContact CG1-CG1 3.75Å; V969-I971 PolarHBondContact O-N 3.27Å; V969-L1012 HydrophobicContact CB-CB 3.94Å; V969-L1012 HydrophobicContact CG2-CB 3.61Å; V969-L1012 WeakPolarHBondContact CG2-O 3.14Å; V969-L1012 PolarHBondContact N-O 2.74Å; V969-L1012 VanDerWaalsContact N-O 3.07Å; V969-H1014 WeakPolarHBondContact CG1-NE2 3.29Å; V969-H1014 VanDerWaalsContact CG2-CD2 3.42Å; V969-H1014 WeakPolarHBondContact CG2-CD2 3.28Å; V969-H1014 WeakPolarHBondContact CG2-CE1 3.3Å; V969-H1014 WeakPolarHBondContact CG2-ND1 3.21Å; V969-H1014 WeakPolarHBondContact CG2-NE2 3.41Å
970N41.7Very low36Very low149 Ų14994 Ų9480%0.79753%0.532SS*.  trans-70.886.9166.2-79.7-23.2000108.4P968 G972P968-N970 PolarHBondContact O-N 2.95Å; P968-N970 VanDerWaalsContact O-N 3.11Å; N970-G972 PolarHBondContact O-N 3.16Å
971I33.9Very low34.9Very low104 Ų10497.9 Ų97.953%0.53355%0.55SS.*  trans-67.390.5165.8-55.3176.3000105.4V969 L973 L1012V969-I971 HydrophobicContact CG1-CG1 3.75Å; V969-I971 PolarHBondContact O-N 3.27Å; I971-L973 VanDerWaalsContact C-N 3.29Å; I971-L973 PolarHBondContact O-N 2.87Å; I971-L1012 HydrophobicContact CD1-CD1 4.17Å
972G30.5Very low33.8Very low62 Ų6299.9 Ų99.964%0.63955%0.55SS**  trans-54.6104.3163.500000105.9N970 S974N970-G972 PolarHBondContact O-N 3.16Å; G972-S974 PolarHBondContact O-N 2.97Å
973L26.9Very low32.7Very low153 Ų153105.5 Ų105.580%0.80159%0.586SS**  trans-50.496.4159.6-76.3160.5000104I971 T975I971-L973 VanDerWaalsContact C-N 3.29Å; I971-L973 PolarHBondContact O-N 2.87Å; L973-T975 PolarHBondContact O-N 2.89Å
974S24Very low31.6Very low111 Ų111104.9 Ų104.978%0.77659%0.594SS**  trans-64.380.4156.155.50000103.2G972 K976G972-S974 PolarHBondContact O-N 2.97Å; S974-K976 VanDerWaalsContact C-N 3.33Å; S974-K976 PolarHBondContact O-N 3.31Å
975T25.3Very low30.5Very low100 Ų100108.4 Ų108.461%0.61362%0.62SS**  trans-40113.7156.242.80000103.4L973 E977L973-T975 PolarHBondContact O-N 2.89Å; T975-E977 PolarHBondContact O-N 2.87Å
976K23.7Very low29.4Very low207 Ų207110.9 Ų110.990%0.964%0.635SS**  trans-56.777.2156.3-79.2177174.6173.50104.4S974 T978S974-K976 VanDerWaalsContact C-N 3.33Å; S974-K976 PolarHBondContact O-N 3.31Å; K976-T978 PolarHBondContact O-N 3.16Å
977E22.9Very low28.1Very low161 Ų161115.2 Ų115.275%0.75266%0.663SS**  trans-61.490.2156.1-77.8-169.7160.300102.1T975 S979T975-E977 PolarHBondContact O-N 2.87Å; E977-S979 PolarHBondContact O-N 3.29Å
978T23.8Very low27Very low126 Ų126116.4 Ų116.477%0.77368%0.679SS**  trans-1296.1138.943.10000107.8K976 S980K976-T978 PolarHBondContact O-N 3.16Å; T978-S980 PolarHBondContact O-N 3.48Å
979S22Very low25.9Very low113 Ų113120.9 Ų120.979%0.7970%0.701SS**  trans-67.783.9175.345.30000105.9E977 N981E977-S979 PolarHBondContact O-N 3.29Å; S979-N981 VanDerWaalsContact C-N 3.31Å; S979-N981 PolarHBondContact O-N 3.29Å
980S21.1Very low25Very low102 Ų102130.5 Ų130.571%0.71374%0.736SS**  trans-59.5100.3160.557.80000106.1T978T978-S980 PolarHBondContact O-N 3.48Å
981N22.4Very low24Very low116 Ų116132.1 Ų132.162%0.6274%0.738SS**  trans175.2112.2158.8-91.3-41.3000106.4S979S979-N981 VanDerWaalsContact C-N 3.31Å; S979-N981 PolarHBondContact O-N 3.29Å
982R21.8Very low23.6Very low139 Ų139132.3 Ų132.353%0.52575%0.749SS.*  cis-169.3152.223.4-91.1167.8-178.7-178.4-6.5105.9S984R982-S984 PolarHBondContact O-N 2.94Å
983V23.4Very low23.2Very low149 Ų149134 Ų13490%0.90375%0.751SS**  trans-26.2122.1152.2179.50000112.6
984S22.5Very low23.1Very low98 Ų98136.6 Ų136.669%0.68576%0.756SS**  trans-161.598.9142.956.20000109.7R982R982-S984 PolarHBondContact O-N 2.94Å
985S22.9Very low23Very low98 Ų98135.3 Ų135.369%0.68576%0.76SS**  trans30.4121131.958.40000117.6
986L22.5Very low23Very low164 Ų164134.2 Ų134.286%0.85977%0.769SS**  -170.6122.9115.6-95.6150000110
987T22.6Very low22.9Very low120 Ų120128.2 Ų128.274%0.73677%0.766SS**  trans-35.2137.5157.949.70000114.1
988S23.9Very low22.9Very low100 Ų100124.3 Ų124.370%0.69977%0.769SS**  158.9124.612247.60000110.6
989D23.6Very low22.9Very low139 Ų139123.6 Ų123.674%0.74377%0.769SS**  trans44.4110.9137.5-46.4-24.7000118.2
990Y24.4Very low22.9Very low230 Ų230124.3 Ų124.390%0.90277%0.769SS**  -179.8125.1106.6-112.3-95.9000110.6
991E20.5Very low22.9Very low182 Ų182125 Ų12585%0.8577%0.768SS**  trans-58.4143164.8-62.6174140.100111.1
992S24.6Very low22.9Very low108 Ų108125.8 Ų125.876%0.75577%0.773SS**  161.3116.312351.30000112.6
993S22.8Very low22.9Very low97 Ų97126.6 Ų126.668%0.67879%0.788SS**  trans30116.2137.954.50000119.7
994F24.3Very low22.9Very low208 Ų208128.1 Ų128.191%0.91279%0.785SS**  -168.5122106.1-103.6-76.6000109.6
995G22.4Very low22.8Very low84 Ų84129.1 Ų129.187%0.86679%0.79SS**  trans-73.4142.8172.400000112
996G24.9Very low22.9Very low77 Ų77129.9 Ų129.979%0.79480%0.796SS**  trans-157.2103.2166.100000107.4
997G22.6Very low23.1Very low81 Ų81129.5 Ų129.584%0.83580%0.795SS**  trans-67.5161.5-167.400000115.3
998G22.5Very low23.4Very low80 Ų80128 Ų12883%0.82579%0.794SS**  trans-61.6153.3-173.100000116.2
999S22.3Very low23.8Very low110 Ų110129 Ų12977%0.76980%0.798SS**  -165.390.4122.4-178.40000108.2V1001S999-V1001 PolarHBondContact O-N 3.01Å
1000T22Very low24.6Very low128 Ų128128.9 Ų128.979%0.78580%0.797SS**  trans-66.6111.9164.1360000109.7
1001V21.5Very low25.9Very low117 Ų117121.7 Ų121.771%0.70977%0.774SS**  trans-103.9100.8157.9177.30000106.3S999 N1003S999-V1001 PolarHBondContact O-N 3.01Å; V1001-N1003 PolarHBondContact O-N 3.43Å
1002N22.4Very low27Very low133 Ų133114.8 Ų114.871%0.71174%0.743SS**  trans-74108.6169.5-75.7-11.5000108.2
1003N23Very low28.2Very low156 Ų156109.7 Ų109.783%0.83471%0.707SS**  trans-85.8100160-92.3-12.2000107.8V1001V1001-N1003 PolarHBondContact O-N 3.43Å
1004E22.1Very low29.8Very low181 Ų181107.3 Ų107.385%0.84669%0.685SS**  trans-89.8102.3162.1-73.6-179.9169.700108.2
1005C22Very low30.8Very low118 Ų11899.6 Ų99.680%0.79765%0.653SS**  trans-10796.8158.3-171.80000105.4
1006S23.1Very low31.9Very low115 Ų115100.6 Ų100.680%0.80464%0.635SS**PPolyproline II helixtrans-82.7122.7175.8530000110
1007D27.4Very low32.7Very low156 Ų15698.9 Ų98.983%0.83461%0.614SS**PPolyproline II helixtrans-58136.3-172.5-59.1-59.6000115
1008A29.2Very low33.7Very low88 Ų8896.9 Ų96.973%0.72758%0.583SS**PPolyproline II helixtrans-74.113916700000110.5L1010A1008-L1010 PolarHBondContact O-N 2.96Å
1009P32.7Very low34.7Very low120 Ų12095.9 Ų95.978%0.77956%0.564SS**PPolyproline II helixtrans-68.9128.7-174.927.6-32.7000111.5
1010L39Very low35.9Very low138 Ų13892.3 Ų92.372%0.72354%0.536SS*.PPolyproline II helixtrans-65130.4-176.6-72.3154.7000112.4A1008 L1012A1008-L1010 PolarHBondContact O-N 2.96Å; L1010-L1012 VanDerWaalsContact C-N 3.28Å; L1010-L1012 PolarHBondContact O-N 3.32Å
1011N52Low37Very low79 Ų7988.9 Ų88.942%0.42252%0.515SS..  trans-70.956.3-176.9-78.4-18.3000114.9C939C939-N1011 HydrophobicContact CB-CB 3.93Å; C939-N1011 PolarHBondContact N-O 2.87Å; C939-N1011 PolarHBondContact SG-O 3.36Å
1012L44.3Very low38.2Very low37 Ų3785.1 Ų85.119%0.19449%0.492CS..EExtended strand (participates in β ladder)trans-94.7139.4178.7-67.9165.4000112.1D936 W937 I938 V969 I971 L1010D936-L1012 HydrophobicContact CB-CD2 3.96Å; W937-L1012 CarbonylContact O-C 3.48Å; W937-L1012 WeakPolarHBondContact O-CA 3.31Å; I938-L1012 HydrophobicContact CG1-CD2 3.75Å; V969-L1012 HydrophobicContact CB-CB 3.94Å; V969-L1012 HydrophobicContact CG2-CB 3.61Å; V969-L1012 WeakPolarHBondContact CG2-O 3.14Å; V969-L1012 PolarHBondContact N-O 2.74Å; V969-L1012 VanDerWaalsContact N-O 3.07Å; I971-L1012 HydrophobicContact CD1-CD1 4.17Å; L1010-L1012 VanDerWaalsContact C-N 3.28Å; L1010-L1012 PolarHBondContact O-N 3.32Å
1013I50.5Low39.1Very low0 Ų083.7 Ų83.70%048%0.481CS..EExtended strand (participates in β ladder)trans-128.7139.5178.4-53.3171.3000109.3W937 C939 L966 M967 P1107 Y1127W937-I1013 PolarHBondContact N-O 2.89Å; W937-I1013 PolarHBondContact O-N 2.76Å; C939-I1013 HydrophobicContact CB-CD1 4.43Å; C939-I1013 WeakPolarHBondContact SG-CD1 3.4Å; C939-I1013 VanDerWaalsContact SG-CG1 3.58Å; L966-I1013 HydrophobicContact CB-CG2 3.69Å; L966-I1013 HydrophobicContact CD1-CG2 4.45Å; L966-I1013 HydrophobicContact CD2-CG2 4.16Å; L966-I1013 HydrophobicContact CG-CG2 4.32Å; M967-I1013 CarbonylContact O-C 3.49Å; M967-I1013 WeakPolarHBondContact O-CA 3.16Å; I1013-P1107 HydrophobicContact CD1-CB 3.6Å; I1013-P1107 HydrophobicContact CD1-CG 4.03Å; I1013-Y1127 HydrophobicContact CD1-CD1 3.21Å; I1013-Y1127 HydrophobicContact CD1-CE1 3.74Å; I1013-Y1127 HydrophobicContact CD1-CG 3.86Å; I1013-Y1127 HydrophobicContact CG1-CD1 3.48Å; I1013-Y1127 VanDerWaalsContact CG1-CD1 3.48Å; I1013-Y1127 HydrophobicContact CG1-CE1 3.49Å; I1013-Y1127 VanDerWaalsContact CG1-CE1 3.49Å; I1013-Y1127 HydrophobicContact CG1-CG 4.1Å
1014H55.6Low39.9Very low47 Ų4780.5 Ų80.522%0.21847%0.468CS..EExtended strand (participates in β ladder)trans-100.5143.7169.8-59.3-55.8000111.5I934 D936 L966 M967 V969I934-H1014 WeakPolarHBondContact CG2-ND1 3.49Å; D936-H1014 VanDerWaalsContact CG-CE1 3.41Å; D936-H1014 IonicContact OD1-CE1 3.68Å; D936-H1014 PolarHBondContact OD1-CE1 2.86Å; D936-H1014 IonicContact OD1-ND1 3.43Å; D936-H1014 PolarHBondContact OD1-ND1 3.21Å; D936-H1014 IonicContact OD2-CE1 2.58Å; L966-H1014 CarbonylContact C-O 3.49Å; L966-H1014 WeakPolarHBondContact CA-O 3.47Å; M967-H1014 HydrophobicContact CB-CB 4.48Å; M967-H1014 PolarHBondContact N-O 3.45Å; M967-H1014 PolarHBondContact O-N 3.35Å; V969-H1014 WeakPolarHBondContact CG1-NE2 3.29Å; V969-H1014 VanDerWaalsContact CG2-CD2 3.42Å; V969-H1014 WeakPolarHBondContact CG2-CD2 3.28Å; V969-H1014 WeakPolarHBondContact CG2-CE1 3.3Å; V969-H1014 WeakPolarHBondContact CG2-ND1 3.21Å; V969-H1014 WeakPolarHBondContact CG2-NE2 3.41Å
1015L46.2Very low40.7Very low46 Ų4675.3 Ų75.324%0.24145%0.45CS..EExtended strand (participates in β ladder)trans-79.9117.1167.8-176.181.9000109.8I861 W937 I945 V964 L966 I1018I861-L1015 HydrophobicContact CD1-CD2 4.2Å; W937-L1015 HydrophobicContact CH2-CD1 4.34Å; W937-L1015 HydrophobicContact CZ3-CD1 4.34Å; I945-L1015 HydrophobicContact CD1-CD1 3.75Å; I945-L1015 HydrophobicContact CD1-CD2 4.03Å; V964-L1015 HydrophobicContact CG1-CD1 3.46Å; V964-L1015 VanDerWaalsContact CG1-CD1 3.46Å; L966-L1015 HydrophobicContact CD2-CB 4.48Å; L966-L1015 HydrophobicContact CD2-CD1 3.84Å; L1015-I1018 HydrophobicContact CD1-CG1 4.36Å; L1015-I1018 HydrophobicContact CD2-CD1 4.23Å; L1015-I1018 HydrophobicContact CD2-CG1 4.5Å
1016E44.9Very low41.2Very low105 Ų10578.8 Ų78.849%0.49145%0.454SS..EExtended strand (participates in β ladder)trans-93.8-49.7-176.6-176173-155.200112.5E965 M967E965-E1016 HydrophobicContact CB-CB 4.37Å; E965-E1016 PolarHBondContact O-N 2.69Å; M967-E1016 HydrophobicContact CG-CB 3.98Å; M967-E1016 HydrophobicContact CG-CG 4.24Å; M967-E1016 WeakPolarHBondContact CG-OE2 3.26Å; M967-E1016 HydrophobicContact SD-CG 4.22Å
1017A41.5Very low41.3Very low42 Ų4279 Ų7935%0.34746%0.455SS..EExtended strand (participates in β ladder)trans-153.3160.8-178.100000112.8E965E965-A1017 HydrophobicContact CB-CB 4.21Å; E965-A1017 PolarHBondContact N-O 3.44Å; E965-A1017 PolarHBondContact O-N 2.72Å
1018I44Very low41.2Very low38 Ų3877.7 Ų77.720%0.19545%0.453CS..EExtended strand (participates in β ladder)trans-136.1128.3171.4-52.6174.7000108I945 M947 L962 H963 V964 L1015I945-I1018 HydrophobicContact CB-CD1 4.48Å; I945-I1018 HydrophobicContact CD1-CD1 3.59Å; I945-I1018 HydrophobicContact CD1-CG1 4.38Å; I945-I1018 HydrophobicContact CG2-CD1 3.55Å; M947-I1018 HydrophobicContact CE-CG2 4.02Å; M947-I1018 HydrophobicContact SD-CD1 4.25Å; M947-I1018 HydrophobicContact SD-CG2 3.88Å; L962-I1018 HydrophobicContact CD1-CG2 3.81Å; H963-I1018 CarbonylContact O-C 3.52Å; H963-I1018 WeakPolarHBondContact O-CA 3.33Å; V964-I1018 HydrophobicContact CG2-CG2 4.32Å; L1015-I1018 HydrophobicContact CD1-CG1 4.36Å; L1015-I1018 HydrophobicContact CD2-CD1 4.23Å; L1015-I1018 HydrophobicContact CD2-CG1 4.5Å
1019S44.2Very low41Very low59 Ų5983 Ų8341%0.41346%0.459SS..EExtended strand (participates in β ladder)trans-121.2133.3172.773.70000111.3L962 H963L962-S1019 CarbonylContact C-O 3.55Å; L962-S1019 WeakPolarHBondContact CA-O 3.49Å; H963-S1019 WeakPolarHBondContact CB-OG 3.12Å; H963-S1019 PolarHBondContact N-O 3.11Å; H963-S1019 PolarHBondContact O-N 2.87Å
1020L46.4Very low40.5Very low36 Ų3685.1 Ų85.119%0.18846%0.463CS..EExtended strand (participates in β ladder)trans-117.2118.9177.7-178.677.7000108.6V949 I959 L962 V1022V949-L1020 HydrophobicContact CG1-CD2 4.49Å; I959-L1020 HydrophobicContact CD1-CD1 4.45Å; I959-L1020 HydrophobicContact CG1-CD1 4.41Å; I959-L1020 HydrophobicContact CG2-CD1 3.61Å; L962-L1020 HydrophobicContact CB-CD1 4.32Å; L962-L1020 HydrophobicContact CD1-CB 4.43Å; L962-L1020 HydrophobicContact CD1-CD1 3.94Å; L1020-V1022 HydrophobicContact CD2-CG2 4.08Å; L1020-V1022 HydrophobicContact CG-CG2 4.01Å
1021T45.6Very low39.7Very low55 Ų5586.2 Ų86.234%0.33747%0.468SS..EExtended strand (participates in β ladder)trans-99.4138.7173.347.10000110.1S960 D961S960-T1021 PolarHBondContact N-O 2.84Å; S960-T1021 VanDerWaalsContact OG-C 3.28Å; S960-T1021 WeakPolarHBondContact OG-CB 3.31Å; S960-T1021 PolarHBondContact OG-O 3.44Å; S960-T1021 PolarHBondContact OG-OG1 3.48Å; D961-T1021 VanDerWaalsContact CA-OG1 3.24Å; D961-T1021 WeakPolarHBondContact CA-OG1 3.26Å; D961-T1021 WeakPolarHBondContact CB-OG1 3.44Å; D961-T1021 PolarHBondContact N-O 3.32Å; D961-T1021 PolarHBondContact N-OG1 3.27Å; D961-T1021 PolarHBondContact O-N 3.28Å; D961-T1021 PolarHBondContact O-OG1 2.95Å; D961-T1021 VanDerWaalsContact O-OG1 3.06Å
1022V45.8Very low38.4Very low39 Ų3987.7 Ų87.724%0.23648%0.482CS..EExtended strand (participates in β ladder)trans-139.7130.4-172.7-153.40000109.5P854 L957 R958 I959 L1020 L1092P854-V1022 HydrophobicContact CG-CG2 4.03Å; L957-V1022 HydrophobicContact CB-CB 4.35Å; L957-V1022 HydrophobicContact CB-CG1 3.3Å; L957-V1022 HydrophobicContact CD1-CG1 4.37Å; L957-V1022 HydrophobicContact CG-CG1 4.42Å; R958-V1022 VanDerWaalsContact C-CG1 3.44Å; R958-V1022 CarbonylContact O-C 3.4Å; R958-V1022 VanDerWaalsContact O-CA 3.3Å; R958-V1022 WeakPolarHBondContact O-CA 3.4Å; R958-V1022 WeakPolarHBondContact O-CG1 3.47Å; I959-V1022 HydrophobicContact CG1-CG1 4.45Å; L1020-V1022 HydrophobicContact CD2-CG2 4.08Å; L1020-V1022 HydrophobicContact CG-CG2 4.01Å; V1022-L1092 HydrophobicContact CG1-CD1 4.02Å; V1022-L1092 HydrophobicContact CG2-CD1 4.32Å
1023E41.2Very low37.3Very low103 Ų10392.7 Ų92.748%0.48151%0.514SS..EExtended strand (participates in β ladder)trans-110.7151-174.5-75172.8-167.400112.7R958 S960R958-E1023 PolarHBondContact N-O 2.87Å; R958-E1023 PolarHBondContact O-N 2.9Å; S960-E1023 VanDerWaalsContact CB-CD 3.45Å; S960-E1023 VanDerWaalsContact CB-OE1 3.26Å; S960-E1023 WeakPolarHBondContact CB-OE1 3.48Å
1024T40.9Very low36Very low89 Ų8998.1 Ų98.155%0.54655%0.552SS.*PPolyproline II helixtrans-90.4137.6171.950.70000110.8L957 Q1026L957-T1024 HydrophobicContact CD2-CG2 3.67Å; T1024-Q1026 PolarHBondContact O-N 2.77Å
1025P39.2Very low34.5Very low72 Ų72100.7 Ų100.747%0.46858%0.575SS.*PPolyproline II helixtrans-67.9131.9177.324.1-30.9000111.8I955 D956I955-P1025 HydrophobicContact CG2-CG 4.07Å; D956-P1025 WeakPolarHBondContact O-CD 3.42Å
1026Q32Very low33.3Very low191 Ų191106.1 Ų106.189%0.89360%0.604SS**PPolyproline II helixtrans-51.3140.2-174.5-69.7179.5-15.200114.1T1024 V1028T1024-Q1026 PolarHBondContact O-N 2.77Å; Q1026-V1028 PolarHBondContact O-N 2.8Å
1027S25.7Very low32.2Very low118 Ų118105.8 Ų105.883%0.82561%0.614SS**  trans-59.3104.1-161.457.40000116.3
1028V25.3Very low31.2Very low129 Ų129110.7 Ų110.778%0.78263%0.634SS**  trans-80.4120.61581760000108Q1026 I1030Q1026-V1028 PolarHBondContact O-N 2.8Å; V1028-I1030 PolarHBondContact O-N 2.95Å; V1028-I1030 VanDerWaalsContact O-N 3.12Å
1029K23.6Very low30.1Very low200 Ų200117.1 Ų117.187%0.8767%0.668SS**  trans-54.6115.2175.8-75177.2177.4175.10110.1L1031K1029-L1031 PolarHBondContact O-N 3.19Å
1030I22.8Very low29Very low165 Ų165121 Ų12185%0.84668%0.684SS**  trans-69.8112177.9-60166.3000108.1V1028V1028-I1030 PolarHBondContact O-N 2.95Å; V1028-I1030 VanDerWaalsContact O-N 3.12Å
1031L22.8Very low27.7Very low160 Ų160127.3 Ų127.384%0.83872%0.717SS**PPolyproline II helixtrans-97139.2161.8-127.793000108.5K1029K1029-L1031 PolarHBondContact O-N 3.19Å
1032P23.2Very low26.5Very low111 Ų111127.8 Ų127.872%0.72173%0.732SS**PPolyproline II helixtrans-75.2140.8-158.6-10.125.7000113.7S1034P1032-S1034 PolarHBondContact O-N 2.88Å
1033T22.2Very low25.3Very low141 Ų141133.6 Ų133.687%0.86576%0.762SS**PPolyproline II helixtrans-57.1118.2165.749.10000112.1
1034S23.9Very low24.4Very low114 Ų114135 Ų13580%0.79778%0.778SS**  trans-128.7106.2145.852.40000108.9P1032P1032-S1034 PolarHBondContact O-N 2.88Å
1035S22.8Very low23.4Very low101 Ų101140.3 Ų140.371%0.70679%0.793SS**  trans-29.4134168.448.60000116
1036L21.7Very low22.7Very low160 Ų160145.7 Ų145.784%0.83881%0.811SS**  trans29.6122.5131.5-74.590.5000116.4
1037S21.2Very low22.1Very low99 Ų99145 Ų14569%0.69281%0.808SS**  166.5136.2100.649.30000112
1038N21.8Very low22.1Very low144 Ų144145.8 Ų145.877%0.7781%0.808SS**  trans59.1100.8143.8-56.2-16.7000118.2
1039L20.5Very low21.8Very low173 Ų173149.3 Ų149.391%0.90681%0.813SS**  -167.9127.9101.9-103.3147.7000112.2
1040D20Very low21.7Very low141 Ų141148.6 Ų148.675%0.75481%0.813SS**  trans-51.5149.7155.6-97.8-41000112.2
1041L20.1Very low21.7Very low169 Ų169146.4 Ų146.489%0.88581%0.812SS**  trans62.1120153.4-106.477.6000119.2
1042G19.7Very low21.6Very low64 Ų64142.7 Ų142.766%0.6681%0.813SS**  13398.5124.500000116.6
1043N20.8Very low21.6Very low162 Ų162146.9 Ų146.987%0.86682%0.82SS**  trans46.2100.6135.1-68.6-20.9000118.9
1044V22.4Very low21.5Very low133 Ų133151.7 Ų151.781%0.80682%0.824SS**  trans-140.5114.6139-177.90000109.9
1045K19Very low21.4Very low200 Ų200149.6 Ų149.687%0.8782%0.82SS**  trans-71.7133.9163-68.1173.5173.4178.30108.9
1046H24.8Very low21.4Very low184 Ų184154.5 Ų154.585%0.85282%0.823SS**  trans-151.5134148.4-95-66.2000111.5
1047Q19.7Very low21.4Very low176 Ų176151 Ų15182%0.82281%0.805SS**  trans-80.7158.6177.7-64.6164.6-33.500112
1048T24.8Very low21.5Very low135 Ų135153.6 Ų153.683%0.82881%0.806SS**  trans153.9109.9138.739.20000108.8
1049K19.7Very low21.7Very low203 Ų203151.7 Ų151.788%0.88380%0.804SS**  72.813880.8-87.6-169176.4-176.80116
1050E22.8Very low22.7Very low185 Ų185146 Ų14686%0.86479%0.787SS**  trans91.5109.9171.5-57.4-179.7-178.300115.7
1051S21.5Very low23Very low119 Ų119141.1 Ų141.183%0.83276%0.764SS**  cis82.6101.344.977.20000115.8
1052G21.8Very low23.2Very low82 Ų82139.1 Ų139.185%0.84575%0.753SS**  trans134.7119.9149.100000118.1
1053F22.6Very low23.6Very low200 Ų200143.1 Ų143.188%0.87776%0.759SS**  trans-56.4160.9160.7-85.3-101000113.2
1054Y20.6Very low24.2Very low241 Ų241138.9 Ų138.995%0.94573%0.734SS**  174.7131.3124.3-88.4-66.3000113.1
1055G21.7Very low24.4Very low70 Ų70138.5 Ų138.572%0.72272%0.723SS**  trans135.8117155.100000116.6
1056R22.7Very low24.8Very low205 Ų205132 Ų13277%0.77471%0.707SS**  trans-117.7134.8179.3177.3-168-164.7-155.45.3107.5
1057L22.1Very low25.2Very low87 Ų87129 Ų12946%0.45569%0.693SS.*  trans-144.970.6179.9-126.7168000114.8S1059 G1060 C1061 E1064L1057-S1059 PolarHBondContact O-N 3.46Å; L1057-G1060 CarbonylContact O-C 3.48Å; L1057-C1061 VanDerWaalsContact C-CB 3.41Å; L1057-C1061 HydrophobicContact CB-CB 4.32Å; L1057-C1061 WeakPolarHBondContact O-CA 3.48Å; L1057-C1061 WeakPolarHBondContact O-CB 3.39Å; L1057-C1061 PolarHBondContact O-N 2.93Å; L1057-C1061 PolarHBondContact O-SG 3.47Å; L1057-E1064 WeakPolarHBondContact CB-OE2 3.42Å; L1057-E1064 WeakPolarHBondContact CD1-OE1 3.33Å; L1057-E1064 WeakPolarHBondContact CD1-OE2 3.38Å
1058E23Very low25.6Very low152 Ų152123.9 Ų123.971%0.7167%0.671SS**  trans1.9107166.5-69.2179.8166.700118.2G1060 C1061E1058-G1060 CarbonylContact O-C 3.13Å; E1058-G1060 WeakPolarHBondContact O-CA 3.49Å; E1058-G1060 PolarHBondContact O-N 2.83Å; E1058-C1061 VanDerWaalsContact C-N 3.35Å; E1058-C1061 VanDerWaalsContact C-SG 3.59Å; E1058-C1061 VanDerWaalsContact CA-SG 3.58Å; E1058-C1061 PolarHBondContact N-SG 3.38Å; E1058-C1061 VanDerWaalsContact N-SG 3.41Å; E1058-C1061 PolarHBondContact O-N 3.26Å
1059S24.8Very low25.8Very low104 Ų104124.5 Ų124.573%0.72766%0.664SS**SBendtrans25-8.6165.740.40000122.8L1057 C1061L1057-S1059 PolarHBondContact O-N 3.46Å; S1059-C1061 PolarHBondContact N-SG 3.39Å
1060G43.3Very low26.5Very low54 Ų54124.9 Ų124.956%0.55766%0.66SS**SBend-57.813.6109.900000116.8L1057 E1058L1057-G1060 CarbonylContact O-C 3.48Å; E1058-G1060 CarbonylContact O-C 3.13Å; E1058-G1060 WeakPolarHBondContact O-CA 3.49Å; E1058-G1060 PolarHBondContact O-N 2.83Å
1061C25Very low27Very low39 Ų39122.4 Ų122.426%0.26465%0.648SS.*Hα-helixtrans-97.87.3163450000115.4L1057 E1058 S1059 E1065L1057-C1061 VanDerWaalsContact C-CB 3.41Å; L1057-C1061 HydrophobicContact CB-CB 4.32Å; L1057-C1061 WeakPolarHBondContact O-CA 3.48Å; L1057-C1061 WeakPolarHBondContact O-CB 3.39Å; L1057-C1061 PolarHBondContact O-N 2.93Å; L1057-C1061 PolarHBondContact O-SG 3.47Å; E1058-C1061 VanDerWaalsContact C-N 3.35Å; E1058-C1061 VanDerWaalsContact C-SG 3.59Å; E1058-C1061 VanDerWaalsContact CA-SG 3.58Å; E1058-C1061 PolarHBondContact N-SG 3.38Å; E1058-C1061 VanDerWaalsContact N-SG 3.41Å; E1058-C1061 PolarHBondContact O-N 3.26Å; S1059-C1061 PolarHBondContact N-SG 3.39Å; C1061-E1065 VanDerWaalsContact O-CB 3.25Å; C1061-E1065 WeakPolarHBondContact O-CB 3.49Å; C1061-E1065 PolarHBondContact O-N 3.38Å
1062L24.5Very low27.3Very low126 Ų126123.8 Ų123.866%0.6664%0.64SS**Hα-helixtrans-81.9-32.1171.1-79.2166.1000113
1063L27.2Very low27.8Very low149 Ų149123.5 Ų123.578%0.7862%0.623SS**Hα-helixtrans-80.5-32.8171.4-87.7154.2000111.4A1066 E1067L1063-A1066 PolarHBondContact O-N 2.61Å; L1063-E1067 PolarHBondContact O-N 3.29Å
1064E35.4Very low28.1Very low73 Ų73124.3 Ų124.334%0.34162%0.622SS.*Hα-helixtrans-74.6-25.7170.2-79.2-164.7168.200113.7L1057 A1066 E1067 L1068L1057-E1064 WeakPolarHBondContact CB-OE2 3.42Å; L1057-E1064 WeakPolarHBondContact CD1-OE1 3.33Å; L1057-E1064 WeakPolarHBondContact CD1-OE2 3.38Å; E1064-A1066 VanDerWaalsContact C-N 3.32Å; E1064-A1066 PolarHBondContact O-N 2.99Å; E1064-E1067 PolarHBondContact O-N 3.4Å; E1064-L1068 HydrophobicContact CB-CD1 4.42Å; E1064-L1068 WeakPolarHBondContact O-CB 3.39Å; E1064-L1068 WeakPolarHBondContact O-CG 3.48Å; E1064-L1068 PolarHBondContact O-N 2.85Å
1065E24.8Very low28.3Very low124 Ų124117.6 Ų117.658%0.57961%0.61SS**Hα-helixtrans-67.8-33.8171-99.6176.5141.300112C1061 H1069C1061-E1065 VanDerWaalsContact O-CB 3.25Å; C1061-E1065 WeakPolarHBondContact O-CB 3.49Å; C1061-E1065 PolarHBondContact O-N 3.38Å; E1065-H1069 VanDerWaalsContact O-CB 3.23Å; E1065-H1069 WeakPolarHBondContact O-CB 3.48Å; E1065-H1069 PolarHBondContact O-N 3.23Å
1066A28.3Very low28.4Very low63 Ų63121.6 Ų121.652%0.52162%0.615SS.*Hα-helixtrans-69.6-34.2174.600000112.4L1063 E1064 R1070L1063-A1066 PolarHBondContact O-N 2.61Å; E1064-A1066 VanDerWaalsContact C-N 3.32Å; E1064-A1066 PolarHBondContact O-N 2.99Å; A1066-R1070 PolarHBondContact O-N 3.43Å
1067E32.9Very low28.5Very low123 Ų123117.8 Ų117.858%0.57562%0.615SS**Hα-helixtrans-84-28.7175.7-77.8-170.4148.100113.7L1063 E1064 R1070 Q1071L1063-E1067 PolarHBondContact O-N 3.29Å; E1064-E1067 PolarHBondContact O-N 3.4Å; E1067-R1070 CarbonylContact O-C 3.56Å; E1067-R1070 WeakPolarHBondContact O-CA 3.21Å; E1067-R1070 WeakPolarHBondContact O-CB 3.48Å; E1067-R1070 PolarHBondContact O-N 3.04Å; E1067-Q1071 PolarHBondContact O-N 3.27Å
1068L28.9Very low28.5Very low68 Ų68121 Ų12136%0.35663%0.627SS.*Hα-helixtrans-78.8-28.6173.6-78.6164.5000112.5E1064 R1070 Q1071 F1072E1064-L1068 HydrophobicContact CB-CD1 4.42Å; E1064-L1068 WeakPolarHBondContact O-CB 3.39Å; E1064-L1068 WeakPolarHBondContact O-CG 3.48Å; E1064-L1068 PolarHBondContact O-N 2.85Å; L1068-R1070 PolarHBondContact O-N 3.22Å; L1068-Q1071 PolarHBondContact O-N 3.09Å; L1068-Q1071 VanDerWaalsContact O-N 3.15Å; L1068-F1072 HydrophobicContact CD2-CD2 4.09Å; L1068-F1072 HydrophobicContact CD2-CE2 4.3Å; L1068-F1072 PolarHBondContact O-N 3.11Å
1069H29.4Very low28.4Very low147 Ų147120 Ų12068%0.68164%0.635SS**Hα-helixtrans-68.8-20.4165.8-147.2-57.9000112E1065E1065-H1069 VanDerWaalsContact O-CB 3.23Å; E1065-H1069 WeakPolarHBondContact O-CB 3.48Å; E1065-H1069 PolarHBondContact O-N 3.23Å
1070R33Very low28.3Very low211 Ų211121.7 Ų121.780%0.79663%0.63SS**Hα-helixtrans-81.8-31.4168.1-104.4-179.2176.1170.80.3113.1A1066 E1067 L1068A1066-R1070 PolarHBondContact O-N 3.43Å; E1067-R1070 CarbonylContact O-C 3.56Å; E1067-R1070 WeakPolarHBondContact O-CA 3.21Å; E1067-R1070 WeakPolarHBondContact O-CB 3.48Å; E1067-R1070 PolarHBondContact O-N 3.04Å; L1068-R1070 PolarHBondContact O-N 3.22Å
1071Q34.1Very low27.2Very low133 Ų133130.4 Ų130.462%0.62165%0.646SS**Hα-helixtrans-94.5-22.4-175.4-75.1-174.72.800115E1067 L1068E1067-Q1071 PolarHBondContact O-N 3.27Å; L1068-Q1071 PolarHBondContact O-N 3.09Å; L1068-Q1071 VanDerWaalsContact O-N 3.15Å
1072F26.7Very low27.1Very low149 Ų149140 Ų14065%0.65468%0.677SS**  trans-142.379.1174.5-58.9-72.6000114.1L1068 Y1074L1068-F1072 HydrophobicContact CD2-CD2 4.09Å; L1068-F1072 HydrophobicContact CD2-CE2 4.3Å; L1068-F1072 PolarHBondContact O-N 3.11Å; F1072-Y1074 VanDerWaalsContact C-N 3.26Å; F1072-Y1074 PolarHBondContact O-N 3.13Å; F1072-Y1074 VanDerWaalsContact O-N 3.11Å
1073P32.4Very low26.9Very low75 Ų75146 Ų14649%0.48769%0.691SS.*THydrogen-bonded Turntrans-73.59.5-17625.8-32.6000117.2
1074Y28.8Very low26.7Very low218 Ų218144.9 Ų144.986%0.85569%0.69SS**THydrogen-bonded Turntrans-130.422-167.8-64.4-65.4000117.8F1072F1072-Y1074 VanDerWaalsContact C-N 3.26Å; F1072-Y1074 PolarHBondContact O-N 3.13Å; F1072-Y1074 VanDerWaalsContact O-N 3.11Å
1075S24.8Very low26Very low99 Ų99149 Ų14969%0.69271%0.714SS**  trans-96.3103.9165.257.90000111.4T1077S1075-T1077 PolarHBondContact O-N 3.21Å
1076N25.1Very low26Very low154 Ų154147.6 Ų147.682%0.82472%0.718SS**  trans-65.8103173.4-84.2-11.1000111
1077T23.3Very low25.9Very low126 Ų126151.5 Ų151.577%0.77373%0.73SS**  trans-117.198.5156.548.40000108.4S1075 C1079S1075-T1077 PolarHBondContact O-N 3.21Å; T1077-C1079 PolarHBondContact O-N 3.1Å
1078E22.1Very low25.6Very low154 Ų154149.8 Ų149.872%0.7273%0.728SS**  trans-64.6111.7175.1-65.8178.9157.500110.5F1080E1078-F1080 HydrophobicContact CB-CD2 4.48Å; E1078-F1080 HydrophobicContact CB-CE2 4.38Å
1079C22.5Very low25.9Very low130 Ų130148.7 Ų148.788%0.87872%0.722SS**  trans-87.999.8159.6-76.40000108.7T1077T1077-C1079 PolarHBondContact O-N 3.1Å
1080F21.9Very low26.6Very low141 Ų141142.9 Ų142.962%0.61870%0.698SS**  trans-56.9135.8159.6-78.9-98.9000109.5E1078E1078-F1080 HydrophobicContact CB-CD2 4.48Å; E1078-F1080 HydrophobicContact CB-CE2 4.38Å
1081W19.8Very low27.3Very low236 Ų236138.3 Ų138.389%0.89468%0.684SS**  trans148.792.6152.4-76.8111.8000111
1082R23Very low28.2Very low242 Ų242132 Ų13291%0.91365%0.654SS**  trans176.7102.4142.3-98.3173.8-163-173.45.9110.1
1083R21.4Very low29.3Very low252 Ų252127 Ų12795%0.95164%0.637SS**  trans-83.5123.6158.6-85.3-176.7179.1172.40.5107.9
1084V22.6Very low30.1Very low124 Ų124125.4 Ų125.475%0.75263%0.627SS**  trans-89.3118.4-179.9174.70000108.9
1085N21.3Very low31.5Very low160 Ų160121 Ų12186%0.85661%0.614SS**  trans-92.9115.1162.6-79.3-15.6000107.3
1086S24.7Very low32.7Very low94 Ų94118.3 Ų118.366%0.65759%0.594SS**  trans-92.4115.3-173.452.70000112.8V1088S1086-V1088 PolarHBondContact O-N 2.65Å
1087D24.7Very low34.2Very low145 Ų145115.5 Ų115.578%0.77558%0.579SS**  trans-69.7111.6169-68.6-42.6000111.1N1089D1087-N1089 PolarHBondContact O-N 3.4Å; D1087-N1089 PolarHBondContact O-ND2 3.09Å; D1087-N1089 VanDerWaalsContact O-ND2 3.08Å
1088V27.4Very low35.7Very low87 Ų87110.8 Ų110.853%0.52756%0.555SS.*  trans-83.584.7-174.1-166.40000110.8S1086 M1142S1086-V1088 PolarHBondContact O-N 2.65Å; V1088-M1142 HydrophobicContact CB-CE 4.34Å; V1088-M1142 HydrophobicContact CG1-CE 3.29Å; V1088-M1142 HydrophobicContact CG1-SD 4.4Å
1089N35.2Very low37.2Very low45 Ų45104 Ų10424%0.24152%0.524CS..  trans-82143175.4-66.7-84.3000111.6R958 D1087 K1091R958-N1089 HydrophobicContact CG-CB 4.11Å; R958-N1089 VanDerWaalsContact CZ-CG 3.44Å; R958-N1089 PolarHBondContact NE-OD1 3.05Å; R958-N1089 PolarHBondContact NH2-ND2 2.94Å; R958-N1089 PolarHBondContact NH2-OD1 3.21Å; D1087-N1089 PolarHBondContact O-N 3.4Å; D1087-N1089 PolarHBondContact O-ND2 3.09Å; D1087-N1089 VanDerWaalsContact O-ND2 3.08Å; N1089-K1091 PolarHBondContact O-N 3.14Å
1090C43.8Very low38.8Very low25 Ų25100.5 Ų100.517%0.16949%0.494CS..  trans-69.7110.6179-148.80000110.2I959 Y1134 L1136I959-C1090 PolarHBondContact N-O 3.48Å; C1090-Y1134 HydrophobicContact CB-CE2 3.66Å; C1090-L1136 WeakPolarHBondContact SG-CD1 3.38Å
1091K47.5Very low40.3Very low115 Ų11593.9 Ų93.950%0.547%0.465SS..EExtended strand (participates in β ladder)trans-92.1131174.3-66.5-178.9179.2-177.80108.8D956 L957 N1089 P1093D956-K1091 HydrophobicContact CB-CB 4.44Å; D956-K1091 HydrophobicContact CB-CD 4.28Å; L957-K1091 CarbonylContact O-C 3.29Å; L957-K1091 WeakPolarHBondContact O-CA 3.41Å; N1089-K1091 PolarHBondContact O-N 3.14Å; K1091-P1093 WeakPolarHBondContact O-CD 3.42Å
1092L53.5Low42Very low1 Ų183.9 Ų83.91%0.00543%0.431CS..EExtended strand (participates in β ladder)trans-78.6106.9162.2-65.8166.9000106.5V949 N951 D956 L957 I959 V1022 I1099 L1136V949-L1092 HydrophobicContact CG1-CD1 4.25Å; N951-L1092 HydrophobicContact CB-CB 4.07Å; N951-L1092 PolarHBondContact ND2-O 2.92Å; D956-L1092 WeakPolarHBondContact CA-O 3.44Å; L957-L1092 HydrophobicContact CB-CB 4.47Å; L957-L1092 PolarHBondContact N-O 2.93Å; L957-L1092 PolarHBondContact O-N 3.03Å; I959-L1092 HydrophobicContact CD1-CD1 4.34Å; I959-L1092 HydrophobicContact CD1-CD2 4.33Å; I959-L1092 HydrophobicContact CD1-CG 4.14Å; I959-L1092 HydrophobicContact CG1-CD1 3.98Å; I959-L1092 HydrophobicContact CG1-CG 4.05Å; V1022-L1092 HydrophobicContact CG1-CD1 4.02Å; V1022-L1092 HydrophobicContact CG2-CD1 4.32Å; L1092-I1099 HydrophobicContact CB-CD1 4.36Å; L1092-I1099 HydrophobicContact CD2-CD1 3.82Å; L1092-I1099 HydrophobicContact CD2-CG2 4.41Å; L1092-L1136 HydrophobicContact CD2-CD2 4.47Å
1093P48.7Very low43.5Very low45 Ų4572.4 Ų72.429%0.29239%0.388SS..  trans-59141.8-176.214.6-24.7000112.1N951 D956 K1091 T1096N951-P1093 WeakPolarHBondContact CB-O 3.42Å; N951-P1093 PolarHBondContact ND2-O 3.47Å; D956-P1093 WeakPolarHBondContact OD1-CA 3.31Å; K1091-P1093 WeakPolarHBondContact O-CD 3.42Å; P1093-T1096 HydrophobicContact CB-CG2 3.83Å; P1093-T1096 HydrophobicContact CG-CG2 3.78Å; P1093-T1096 WeakPolarHBondContact CG-OG1 2.9Å; P1093-T1096 PolarHBondContact O-N 3.08Å; P1093-T1096 PolarHBondContact O-OG1 3.41Å
1094S50.9Low44.9Very low40 Ų4060.7 Ų60.728%0.2835%0.345SS..THydrogen-bonded Turntrans-52.9143.2175.5430000112.3L953 I955 D956 T1096L953-S1094 CarbonylContact O-C 3.46Å; L953-S1094 VanDerWaalsContact O-CA 3.22Å; L953-S1094 WeakPolarHBondContact O-CA 3.09Å; L953-S1094 VanDerWaalsContact O-CB 3.29Å; L953-S1094 WeakPolarHBondContact O-CB 3.35Å; I955-S1094 VanDerWaalsContact C-CB 3.49Å; D956-S1094 WeakPolarHBondContact OD1-CB 3.3Å; D956-S1094 PolarHBondContact OD1-N 2.82Å; D956-S1094 PolarHBondContact OD1-OG 3.11Å; S1094-T1096 PolarHBondContact O-N 3.3Å; S1094-T1096 VanDerWaalsContact O-N 3.13Å
1095H56.5Low46.3Very low125 Ų12554.8 Ų54.858%0.57931%0.309SS*.THydrogen-bonded Turntrans52.629.9179.3-61-53.9000115.9N951 K952 L953 P954N951-H1095 CarbonylContact O-C 3.43Å; N951-H1095 WeakPolarHBondContact O-CA 3.46Å; N951-H1095 PolarHBondContact O-N 3.31Å; K952-H1095 PolarHBondContact O-ND1 2.89Å; L953-H1095 PolarHBondContact O-N 2.77Å; P954-H1095 VanDerWaalsContact CA-NE2 3.3Å; P954-H1095 WeakPolarHBondContact CA-NE2 3.19Å; P954-H1095 VanDerWaalsContact CB-NE2 3.28Å; P954-H1095 WeakPolarHBondContact CB-NE2 3.48Å
1096T49.9Very low47.6Very low44 Ų4449 Ų4927%0.2728%0.28SS..EExtended strand (participates in β ladder)trans-107.1127.1176.659.20000111.4N951 P1093 S1094 I1099N951-T1096 CarbonylContact C-O 2.98Å; N951-T1096 PolarHBondContact N-O 3.23Å; N951-T1096 PolarHBondContact O-N 2.81Å; P1093-T1096 HydrophobicContact CB-CG2 3.83Å; P1093-T1096 HydrophobicContact CG-CG2 3.78Å; P1093-T1096 WeakPolarHBondContact CG-OG1 2.9Å; P1093-T1096 PolarHBondContact O-N 3.08Å; P1093-T1096 PolarHBondContact O-OG1 3.41Å; S1094-T1096 PolarHBondContact O-N 3.3Å; S1094-T1096 VanDerWaalsContact O-N 3.13Å; T1096-I1099 WeakPolarHBondContact OG1-CD1 3.16Å
1097N56.9Low48.4Very low95 Ų9544.5 Ų44.551%0.50825%0.249SC..EExtended strand (participates in β ladder)trans-111148177.9-63.9-27.1000109.5D950D950-N1097 HydrophobicContact CB-CB 4.47Å; D950-N1097 WeakPolarHBondContact OD1-CA 3.24Å
1098G54.7Low49.4Very low27 Ų2738.6 Ų38.628%0.27822%0.218SC..EExtended strand (participates in β ladder)trans84.521173.300000114.5D950 K1100D950-G1098 PolarHBondContact OD1-N 3.2Å; G1098-K1100 PolarHBondContact O-N 2.88Å; G1098-K1100 VanDerWaalsContact O-N 3.13Å
1099I54.8Low49.8Very low12 Ų1236.6 Ų36.66%0.06220%0.204CC..EExtended strand (participates in β ladder)trans-70.2111.2-175.7-47.9174.3000109.4I948 V949 L1092 T1096 L1101 L1136I948-I1099 CarbonylContact C-O 3.58Å; I948-I1099 WeakPolarHBondContact CA-O 3.05Å; V949-I1099 PolarHBondContact N-O 3.34Å; V949-I1099 WeakPolarHBondContact O-CB 3Å; V949-I1099 WeakPolarHBondContact O-CG1 3.46Å; V949-I1099 PolarHBondContact O-N 2.98Å; L1092-I1099 HydrophobicContact CB-CD1 4.36Å; L1092-I1099 HydrophobicContact CD2-CD1 3.82Å; L1092-I1099 HydrophobicContact CD2-CG2 4.41Å; T1096-I1099 WeakPolarHBondContact OG1-CD1 3.16Å; I1099-L1101 PolarHBondContact O-N 2.84Å; I1099-L1136 HydrophobicContact CG2-CD1 4.47Å; I1099-L1136 HydrophobicContact CG2-CD2 3.65Å; I1099-L1136 HydrophobicContact CG2-CG 4.46Å
1100K55.3Low50Low55 Ų5537.2 Ų37.224%0.23921%0.207CC..EExtended strand (participates in β ladder)trans-79.8106.7178.8-171.2176.2179.6-178.10111.7E946 G1098 L1136 V1137 D1138E946-K1100 WeakPolarHBondContact OE1-CE 3.49Å; E946-K1100 IonicContact OE1-NZ 3.57Å; E946-K1100 PolarHBondContact OE1-NZ 2.86Å; E946-K1100 WeakPolarHBondContact OE2-CE 3.38Å; E946-K1100 IonicContact OE2-NZ 2.72Å; E946-K1100 PolarHBondContact OE2-NZ 3.44Å; G1098-K1100 PolarHBondContact O-N 2.88Å; G1098-K1100 VanDerWaalsContact O-N 3.13Å; K1100-L1136 CarbonylContact O-C 3.56Å; K1100-L1136 WeakPolarHBondContact O-CA 3.41Å; K1100-V1137 HydrophobicContact CB-CB 4.19Å; K1100-V1137 HydrophobicContact CD-CB 4.11Å; K1100-V1137 HydrophobicContact CD-CG1 4.37Å; K1100-V1137 HydrophobicContact CD-CG2 4.25Å; K1100-V1137 HydrophobicContact CG-CB 4.17Å; K1100-V1137 HydrophobicContact CG-CG2 4.14Å; K1100-V1137 PolarHBondContact O-N 3.48Å; K1100-D1138 WeakPolarHBondContact CB-OD2 3.38Å; K1100-D1138 PolarHBondContact N-OD2 3.28Å
1101L54.6Low49.4Very low3 Ų341.1 Ų41.12%0.01623%0.226CC..EExtended strand (participates in β ladder)trans-97.3107.6173.7-176.693.5000109.8M947 V949 I959 I1099 I1103 Y1134 R1135 L1136M947-L1101 HydrophobicContact CB-CB 4.37Å; M947-L1101 HydrophobicContact CB-CD2 4.35Å; M947-L1101 PolarHBondContact N-O 3.19Å; M947-L1101 WeakPolarHBondContact O-CA 3.36Å; M947-L1101 PolarHBondContact O-N 3.29Å; M947-L1101 HydrophobicContact SD-CD2 4.23Å; V949-L1101 HydrophobicContact CG2-CB 4.46Å; I959-L1101 HydrophobicContact CD1-CD1 4.24Å; I1099-L1101 PolarHBondContact O-N 2.84Å; L1101-I1103 HydrophobicContact CD2-CD1 3.62Å; L1101-I1103 HydrophobicContact CD2-CG1 3.78Å; L1101-I1103 HydrophobicContact CG-CD1 4.47Å; L1101-I1103 HydrophobicContact CG-CG1 4.12Å; L1101-Y1134 HydrophobicContact CD1-CD2 4.31Å; L1101-R1135 CarbonylContact C-O 3.54Å; L1101-R1135 WeakPolarHBondContact CA-O 3.12Å; L1101-L1136 HydrophobicContact CB-CD2 4.21Å; L1101-L1136 HydrophobicContact CD1-CD2 3.55Å; L1101-L1136 HydrophobicContact CG-CD2 4.5Å
1102S55.3Low48.4Very low26 Ų2641.8 Ų41.818%0.18223%0.234CC..EExtended strand (participates in β ladder)trans-94.5120.4172.969.90000110.7Y1134 R1135S1102-Y1134 CarbonylContact O-C 3.54Å; S1102-Y1134 VanDerWaalsContact O-CA 3.3Å; S1102-Y1134 WeakPolarHBondContact O-CA 3.45Å; S1102-R1135 PolarHBondContact N-O 3.39Å; S1102-R1135 PolarHBondContact O-N 2.88Å
1103I54.4Low47.2Very low0 Ų047.3 Ų47.30%027%0.268CS..EExtended strand (participates in β ladder)trans-110.9119.3179.3-55.1160.1000108.9I945 M947 L962 L1101 V1105 I1132 T1133I945-I1103 HydrophobicContact CB-CB 4.44Å; I945-I1103 PolarHBondContact N-O 3.38Å; I945-I1103 PolarHBondContact O-N 3.03Å; M947-I1103 HydrophobicContact CG-CD1 4.26Å; M947-I1103 HydrophobicContact SD-CD1 3.36Å; M947-I1103 WeakPolarHBondContact SD-CD1 3.27Å; L962-I1103 HydrophobicContact CD1-CD1 3.95Å; L962-I1103 HydrophobicContact CD2-CD1 3.67Å; L962-I1103 HydrophobicContact CD2-CG1 4.07Å; L962-I1103 HydrophobicContact CD2-CG2 4.01Å; L962-I1103 HydrophobicContact CG-CD1 4.47Å; L1101-I1103 HydrophobicContact CD2-CD1 3.62Å; L1101-I1103 HydrophobicContact CD2-CG1 3.78Å; L1101-I1103 HydrophobicContact CG-CD1 4.47Å; L1101-I1103 HydrophobicContact CG-CG1 4.12Å; I1103-V1105 HydrophobicContact CG2-CG2 3.91Å; I1103-I1132 HydrophobicContact CG2-CG2 3.62Å; I1103-T1133 CarbonylContact C-O 3.58Å; I1103-T1133 VanDerWaalsContact CA-O 3.29Å; I1103-T1133 WeakPolarHBondContact CA-O 3.19Å
1104G49.6Very low46.1Very low6 Ų649.5 Ų49.56%0.06229%0.285CS..EExtended strand (participates in β ladder)trans-93.6127.6168.500000110.2I1132 T1133G1104-I1132 WeakPolarHBondContact O-CA 3.35Å; G1104-T1133 PolarHBondContact N-O 3.37Å; G1104-T1133 PolarHBondContact O-N 3.44Å
1105V51.9Low44.9Very low0 Ų053.6 Ų53.60%031%0.313CS..EExtended strand (participates in β ladder)trans-121.6126.6-177.8-179.30000108.3W937 G943 I945 V964 I1103 P1107 V1129W937-V1105 HydrophobicContact CH2-CB 4.42Å; W937-V1105 HydrophobicContact CZ3-CB 4.04Å; W937-V1105 HydrophobicContact CZ3-CG1 4.22Å; G943-V1105 PolarHBondContact N-O 3.12Å; G943-V1105 PolarHBondContact O-N 3.42Å; I945-V1105 HydrophobicContact CD1-CG2 4.02Å; V964-V1105 HydrophobicContact CG2-CG2 4.4Å; I1103-V1105 HydrophobicContact CG2-CG2 3.91Å; V1105-P1107 WeakPolarHBondContact O-CD 3.38Å; V1105-V1129 HydrophobicContact CG1-CB 4.44Å; V1105-V1129 HydrophobicContact CG1-CG1 3.68Å; V1105-V1129 HydrophobicContact CG1-CG2 3.86Å
1106V49Very low43.5Very low39 Ų3952.7 Ų52.724%0.23632%0.316CS..EExtended strand (participates in β ladder)trans-109.298.4171.9-174.50000108.7P942 T1108 V1130 G1131P942-V1106 HydrophobicContact CB-CG2 4.11Å; V1106-T1108 HydrophobicContact CG1-CG2 4.4Å; V1106-V1130 PolarHBondContact O-N 2.91Å; V1106-G1131 PolarHBondContact N-O 3.25Å
1107P43.1Very low42.4Very low0 Ų054.6 Ų54.60%033%0.331CS..EExtended strand (participates in β ladder)trans-80.1136.3176.634.4-34.6000110.3W937 E940 L966 I1013 V1105W937-P1107 HydrophobicContact CE3-CG 4.4Å; E940-P1107 WeakPolarHBondContact CA-O 3.49Å; E940-P1107 PolarHBondContact N-O 3.37Å; L966-P1107 HydrophobicContact CD1-CB 3.69Å; I1013-P1107 HydrophobicContact CD1-CB 3.6Å; I1013-P1107 HydrophobicContact CD1-CG 4.03Å; V1105-P1107 WeakPolarHBondContact O-CD 3.38Å
1108T43.8Very low41Very low20 Ų2056.6 Ų56.612%0.12334%0.336CS..EExtended strand (participates in β ladder)trans-130.2154178.960.60000110.3E940 V1106 Y1127 R1128 V1130E940-T1108 HydrophobicContact CG-CG2 4.4Å; V1106-T1108 HydrophobicContact CG1-CG2 4.4Å; T1108-Y1127 CarbonylContact O-C 3.57Å; T1108-Y1127 VanDerWaalsContact O-CA 3.27Å; T1108-Y1127 WeakPolarHBondContact O-CA 3.12Å; T1108-R1128 PolarHBondContact N-O 3.26Å; T1108-R1128 PolarHBondContact O-N 3.41Å; T1108-R1128 PolarHBondContact OG1-O 3.04Å; T1108-V1130 HydrophobicContact CG2-CB 4.08Å; T1108-V1130 HydrophobicContact CG2-CG2 3.55Å; T1108-V1130 WeakPolarHBondContact OG1-CG2 3.44Å
1109L37.5Very low39.8Very low46 Ų4659 Ų5924%0.24134%0.342CS..EExtended strand (participates in β ladder)trans-96.3105.9179.4-173.986.7000108.6L1125 Y1127L1109-L1125 HydrophobicContact CD1-CB 3.88Å; L1109-L1125 HydrophobicContact CD1-CD1 4.16Å; L1109-L1125 HydrophobicContact CD1-CD2 3.97Å; L1109-L1125 HydrophobicContact CD1-CG 4.2Å; L1109-L1125 HydrophobicContact CD2-CD2 4.18Å; L1109-L1125 HydrophobicContact CG-CD2 4.21Å; L1109-Y1127 HydrophobicContact CB-CD1 4.45Å; L1109-Y1127 HydrophobicContact CB-CE1 4.48Å; L1109-Y1127 HydrophobicContact CD1-CD1 3.64Å; L1109-Y1127 HydrophobicContact CD1-CE1 3.11Å; L1109-Y1127 HydrophobicContact CD1-CE2 4.28Å; L1109-Y1127 HydrophobicContact CD1-CG 4.5Å; L1109-Y1127 VanDerWaalsContact CD1-CZ 3.48Å; L1109-Y1127 HydrophobicContact CG-CE1 4.4Å
1110D38.1Very low38.4Very low58 Ų5862.9 Ų62.931%0.3136%0.363SS..EExtended strand (participates in β ladder)trans-100.3118.5173.1-94.1-17.7000109.3L1112 Q1126 R1128D1110-L1112 VanDerWaalsContact C-N 3.34Å; D1110-L1112 PolarHBondContact O-N 3.3Å; D1110-Q1126 PolarHBondContact N-O 2.78Å; D1110-R1128 VanDerWaalsContact OD2-CD 3.25Å; D1110-R1128 WeakPolarHBondContact OD2-CD 3.37Å; D1110-R1128 IonicContact OD2-NH1 2.63Å
1111L31.1Very low37Very low106 Ų10665.1 Ų65.156%0.55539%0.386SS*.  trans-9072.8178.3-140.2143.5000108.7T1113 T1123 L1125L1111-T1113 HydrophobicContact CD2-CG2 4.34Å; L1111-T1113 PolarHBondContact O-N 2.92Å; L1111-T1123 HydrophobicContact CD2-CG2 4.44Å; L1111-L1125 HydrophobicContact CD1-CD2 3.69Å; L1111-L1125 HydrophobicContact CG-CD2 3.94Å
1112L27.8Very low35.7Very low130 Ų13071.4 Ų71.468%0.68142%0.419SS*.  trans-72.299.1177.4-85.3163.4000110.2D1110 S1114D1110-L1112 VanDerWaalsContact C-N 3.34Å; D1110-L1112 PolarHBondContact O-N 3.3Å; L1112-S1114 PolarHBondContact O-N 2.73Å
1113T27.9Very low34.5Very low117 Ų11774.6 Ų74.672%0.71844%0.438SS*.  trans-8287161.641.70000107.6L1111 S1115L1111-T1113 HydrophobicContact CD2-CG2 4.34Å; L1111-T1113 PolarHBondContact O-N 2.92Å; T1113-S1115 PolarHBondContact O-N 3.35Å; T1113-S1115 VanDerWaalsContact O-N 3.15Å
1114S25.4Very low33.3Very low91 Ų9179.2 Ų79.264%0.63647%0.469SS*.  trans-63.6118.6176.1560000109.4L1112 T1116L1112-S1114 PolarHBondContact O-N 2.73Å; S1114-T1116 PolarHBondContact O-N 3.39Å
1115S25.8Very low32.6Very low126 Ų12681.9 Ų81.988%0.88148%0.482SS*.  trans-71.434.3-177.962.10000113.9T1113 S1117T1113-S1115 PolarHBondContact O-N 3.35Å; T1113-S1115 VanDerWaalsContact O-N 3.15Å; S1115-S1117 PolarHBondContact O-N 3.28Å
1116T26Very low31.7Very low105 Ų10587.7 Ų87.764%0.64451%0.509SS*.SBendtrans-9686.7169.2530000107.5S1114S1114-T1116 PolarHBondContact O-N 3.39Å
1117S27.1Very low31.3Very low84 Ų8487.9 Ų87.959%0.58751%0.506SS*.SBendtrans35.7108.5154.265.40000117.8S1115S1115-S1117 PolarHBondContact O-N 3.28Å
1118F28.1Very low31Very low138 Ų13895.3 Ų95.361%0.60553%0.534SS*.SBendtrans75.4107.1155.6-66.8-80000119.2F539F539-F1118 HydrophobicContact CD1-CB 3.75Å; F539-F1118 HydrophobicContact CE1-CB 3.95Å
1119D28.7Very low30.7Very low76 Ų7696.3 Ų96.341%0.40654%0.539SS..  trans51.470.4138-62.7-19.3000119.8N541N541-D1119 PolarHBondContact ND2-O 2.76Å; N541-D1119 PolarHBondContact OD1-O 3.48Å; N541-D1119 VanDerWaalsContact OD1-O 3.08Å
1120D26.1Very low30.5Very low95 Ų9599 Ų9951%0.50856%0.557SS.*  trans-116.396151-115.4-35.7000110.3N541 N1122N541-D1120 PolarHBondContact ND2-OD1 2.88Å; N541-D1120 PolarHBondContact OD1-OD1 2.78Å; D1120-N1122 PolarHBondContact O-N 3.02Å
1121S26.8Very low30.2Very low102 Ų10297.6 Ų97.671%0.71356%0.557SS**  trans-73.829.8169.366.60000112.5
1122N27.1Very low30.4Very low134 Ų13496 Ų9672%0.71755%0.549SS*.  trans-106.282155-83.2-19000105.2D1120 C1124D1120-N1122 PolarHBondContact O-N 3.02Å; N1122-C1124 VanDerWaalsContact C-N 3.26Å; N1122-C1124 PolarHBondContact O-N 3.23Å
1123T28.5Very low30.9Very low94 Ų9494 Ų9458%0.57754%0.542SS*.  trans-55.997.1167.346.80000107.3L1111 L1125L1111-T1123 HydrophobicContact CD2-CG2 4.44Å; T1123-L1125 VanDerWaalsContact C-N 3.35Å; T1123-L1125 PolarHBondContact O-N 2.76Å
1124C30.5Very low31.6Very low97 Ų9791.4 Ų91.466%0.65552%0.519SS*.  trans-71.398.5173.6-168.30000105.7N1122 Q1126N1122-C1124 VanDerWaalsContact C-N 3.26Å; N1122-C1124 PolarHBondContact O-N 3.23Å; C1124-Q1126 PolarHBondContact O-N 2.79Å
1125L33.4Very low32.6Very low62 Ų6293.5 Ų93.533%0.32551%0.513SS..  trans-64.6101.4172.1-67.4173000107L1109 L1111 T1123 Y1127L1109-L1125 HydrophobicContact CD1-CB 3.88Å; L1109-L1125 HydrophobicContact CD1-CD1 4.16Å; L1109-L1125 HydrophobicContact CD1-CD2 3.97Å; L1109-L1125 HydrophobicContact CD1-CG 4.2Å; L1109-L1125 HydrophobicContact CD2-CD2 4.18Å; L1109-L1125 HydrophobicContact CG-CD2 4.21Å; L1111-L1125 HydrophobicContact CD1-CD2 3.69Å; L1111-L1125 HydrophobicContact CG-CD2 3.94Å; T1123-L1125 VanDerWaalsContact C-N 3.35Å; T1123-L1125 PolarHBondContact O-N 2.76Å; L1125-Y1127 HydrophobicContact CB-CE2 4.12Å; L1125-Y1127 WeakPolarHBondContact O-CE2 3.32Å
1126Q34.6Very low33.4Very low121 Ų12188.7 Ų88.757%0.56548%0.478SS*.EExtended strand (participates in β ladder)trans-90.2123.4172.5-73.3-169.3-15.100108.4D1110 C1124D1110-Q1126 PolarHBondContact N-O 2.78Å; C1124-Q1126 PolarHBondContact O-N 2.79Å
1127Y39.5Very low34.1Very low44 Ų4486 Ų8617%0.17346%0.461CS..EExtended strand (participates in β ladder)trans-89.7121.6178.4-60.6-90.7000108.5C939 P968 I1013 T1108 L1109 L1125C939-Y1127 VanDerWaalsContact SG-CE1 3.51Å; P968-Y1127 HydrophobicContact CB-CD2 4.36Å; P968-Y1127 HydrophobicContact CB-CE2 3.42Å; P968-Y1127 VanDerWaalsContact CB-CE2 3.42Å; P968-Y1127 HydrophobicContact CG-CD2 4.32Å; P968-Y1127 HydrophobicContact CG-CE2 3.68Å; I1013-Y1127 HydrophobicContact CD1-CD1 3.21Å; I1013-Y1127 HydrophobicContact CD1-CE1 3.74Å; I1013-Y1127 HydrophobicContact CD1-CG 3.86Å; I1013-Y1127 HydrophobicContact CG1-CD1 3.48Å; I1013-Y1127 VanDerWaalsContact CG1-CD1 3.48Å; I1013-Y1127 HydrophobicContact CG1-CE1 3.49Å; I1013-Y1127 VanDerWaalsContact CG1-CE1 3.49Å; I1013-Y1127 HydrophobicContact CG1-CG 4.1Å; T1108-Y1127 CarbonylContact O-C 3.57Å; T1108-Y1127 VanDerWaalsContact O-CA 3.27Å; T1108-Y1127 WeakPolarHBondContact O-CA 3.12Å; L1109-Y1127 HydrophobicContact CB-CD1 4.45Å; L1109-Y1127 HydrophobicContact CB-CE1 4.48Å; L1109-Y1127 HydrophobicContact CD1-CD1 3.64Å; L1109-Y1127 HydrophobicContact CD1-CE1 3.11Å; L1109-Y1127 HydrophobicContact CD1-CE2 4.28Å; L1109-Y1127 HydrophobicContact CD1-CG 4.5Å; L1109-Y1127 VanDerWaalsContact CD1-CZ 3.48Å; L1109-Y1127 HydrophobicContact CG-CE1 4.4Å; L1125-Y1127 HydrophobicContact CB-CE2 4.12Å; L1125-Y1127 WeakPolarHBondContact O-CE2 3.32Å
1128R38.3Very low34.6Very low156 Ų15687 Ų8759%0.58946%0.46SS*.EExtended strand (participates in β ladder)trans-107133.9-178.7-173.1-178.9-178.5-1762109.9T1108 D1110T1108-R1128 PolarHBondContact N-O 3.26Å; T1108-R1128 PolarHBondContact O-N 3.41Å; T1108-R1128 PolarHBondContact OG1-O 3.04Å; D1110-R1128 VanDerWaalsContact OD2-CD 3.25Å; D1110-R1128 WeakPolarHBondContact OD2-CD 3.37Å; D1110-R1128 IonicContact OD2-NH1 2.63Å
1129V36.2Very low34.7Very low40 Ų4084.1 Ų84.124%0.24246%0.456CS..EExtended strand (participates in β ladder)trans-83.6113.3171.4178.30000108.8L966 V1105 I1132L966-V1129 HydrophobicContact CD1-CG2 3.6Å; V1105-V1129 HydrophobicContact CG1-CB 4.44Å; V1105-V1129 HydrophobicContact CG1-CG1 3.68Å; V1105-V1129 HydrophobicContact CG1-CG2 3.86Å; V1129-I1132 HydrophobicContact CG1-CD1 4.12Å; V1129-I1132 HydrophobicContact CG1-CG1 3.54Å
1130V33.6Very low34.6Very low102 Ų10284.4 Ų84.462%0.61848%0.476SS*.EExtended strand (participates in β ladder)trans-85.2-18.7-175170.60000112.6V1106 T1108V1106-V1130 PolarHBondContact O-N 2.91Å; T1108-V1130 HydrophobicContact CG2-CB 4.08Å; T1108-V1130 HydrophobicContact CG2-CG2 3.55Å; T1108-V1130 WeakPolarHBondContact OG1-CG2 3.44Å
1131G32.9Very low34.5Very low30 Ų3083.1 Ų83.131%0.30949%0.486SS..EExtended strand (participates in β ladder)trans-159.7134.5176.800000112.1V1106V1106-G1131 PolarHBondContact N-O 3.25Å
1132I34.5Very low34.3Very low73 Ų7384.2 Ų84.237%0.37448%0.482SS..EExtended strand (participates in β ladder)trans-118.2117.3170.4-57.5177.7000106.8L962 I1103 G1104 V1129L962-I1132 HydrophobicContact CD2-CG2 3.9Å; I1103-I1132 HydrophobicContact CG2-CG2 3.62Å; G1104-I1132 WeakPolarHBondContact O-CA 3.35Å; V1129-I1132 HydrophobicContact CG1-CD1 4.12Å; V1129-I1132 HydrophobicContact CG1-CG1 3.54Å
1133T38.5Very low34.1Very low88 Ų8889.1 Ų89.154%0.5449%0.49SS..EExtended strand (participates in β ladder)trans-111.7123170.456.80000108.6I1103 G1104I1103-T1133 CarbonylContact C-O 3.58Å; I1103-T1133 VanDerWaalsContact CA-O 3.29Å; I1103-T1133 WeakPolarHBondContact CA-O 3.19Å; G1104-T1133 PolarHBondContact N-O 3.37Å; G1104-T1133 PolarHBondContact O-N 3.44Å
1134Y43.2Very low33.8Very low62 Ų6286.7 Ų86.724%0.24348%0.475CS..EExtended strand (participates in β ladder)trans-114.5146.3174.765.9-91.8000110.8C1090 L1101 S1102C1090-Y1134 HydrophobicContact CB-CE2 3.66Å; L1101-Y1134 HydrophobicContact CD1-CD2 4.31Å; S1102-Y1134 CarbonylContact O-C 3.54Å; S1102-Y1134 VanDerWaalsContact O-CA 3.3Å; S1102-Y1134 WeakPolarHBondContact O-CA 3.45Å
1135R44.8Very low33.5Very low134 Ų13487.1 Ų87.151%0.50648%0.478SS..EExtended strand (participates in β ladder)trans-141.7135.9177.7173.6-177.5178-175.3-0.1109.8L1101 S1102L1101-R1135 CarbonylContact C-O 3.54Å; L1101-R1135 WeakPolarHBondContact CA-O 3.12Å; S1102-R1135 PolarHBondContact N-O 3.39Å; S1102-R1135 PolarHBondContact O-N 2.88Å
1136L42.6Very low32.9Very low25 Ų2590.7 Ų90.713%0.13150%0.497CS..EExtended strand (participates in β ladder)trans-83.7115.5163.3-57.2177.2000108.1C1090 L1092 I1099 K1100 L1101C1090-L1136 WeakPolarHBondContact SG-CD1 3.38Å; L1092-L1136 HydrophobicContact CD2-CD2 4.47Å; I1099-L1136 HydrophobicContact CG2-CD1 4.47Å; I1099-L1136 HydrophobicContact CG2-CD2 3.65Å; I1099-L1136 HydrophobicContact CG2-CG 4.46Å; K1100-L1136 CarbonylContact O-C 3.56Å; K1100-L1136 WeakPolarHBondContact O-CA 3.41Å; L1101-L1136 HydrophobicContact CB-CD2 4.21Å; L1101-L1136 HydrophobicContact CD1-CD2 3.55Å; L1101-L1136 HydrophobicContact CG-CD2 4.5Å
1137V41Very low32.3Very low50 Ų5092.4 Ų92.430%0.30350%0.498SS..SBendtrans-77.8-30.5-171.1-178.60000111.7K1100K1100-V1137 HydrophobicContact CB-CB 4.19Å; K1100-V1137 HydrophobicContact CD-CB 4.11Å; K1100-V1137 HydrophobicContact CD-CG1 4.37Å; K1100-V1137 HydrophobicContact CD-CG2 4.25Å; K1100-V1137 HydrophobicContact CG-CB 4.17Å; K1100-V1137 HydrophobicContact CG-CG2 4.14Å; K1100-V1137 PolarHBondContact O-N 3.48Å
1138D37.9Very low31.5Very low104 Ų10496.2 Ų96.256%0.55653%0.528SS*.SBendtrans-92.3-5.1-170.2-57.7-40.7000115.1K1100K1100-D1138 WeakPolarHBondContact CB-OD2 3.38Å; K1100-D1138 PolarHBondContact N-OD2 3.28Å
1139C30.5Very low30.7Very low78 Ų7894.1 Ų94.153%0.52754%0.537SS..SBendtrans-11499.3175-61.30000108.9G1141C1139-G1141 PolarHBondContact O-N 3.29Å
1140G26.1Very low30.1Very low81 Ų8196.3 Ų96.384%0.83557%0.568SS**  trans-47126.8-175.800000113.6
1141G23.9Very low29.4Very low69 Ų69100.2 Ų100.271%0.71158%0.577SS**SBendtrans7979.3161.900000116.5C1139C1139-G1141 PolarHBondContact O-N 3.29Å
1142M22.6Very low28.8Very low125 Ų125107.7 Ų107.762%0.61660%0.601SS**  trans-168.1123.5141.1-115.1167.560.800111.4V1088 V1144V1088-M1142 HydrophobicContact CB-CE 4.34Å; V1088-M1142 HydrophobicContact CG1-CE 3.29Å; V1088-M1142 HydrophobicContact CG1-SD 4.4Å; M1142-V1144 HydrophobicContact CE-CG2 3.72Å
1143R23.2Very low28.2Very low236 Ų236112.3 Ų112.389%0.89163%0.626SS**  trans-94.1112.2163.5-78.9-179.5174.9173-1.4107.1
1144V23Very low27.3Very low43 Ų43118.1 Ų118.126%0.26164%0.639SS.*  trans-97.4110.5168.4-1790000107.6M1142 L1146M1142-V1144 HydrophobicContact CE-CG2 3.72Å; V1144-L1146 HydrophobicContact CG1-CG 4.31Å
1145C22.7Very low26.3Very low107 Ų107119.6 Ų119.672%0.72366%0.659SS**  trans-100.4108.4164.4-79.50000107.5R1147C1145-R1147 PolarHBondContact O-N 3.36Å
1146L22.3Very low25.1Very low137 Ų137122 Ų12272%0.71768%0.68SS**  trans-77.2109.6165.5-71.9167.5000108.1V1144V1144-L1146 HydrophobicContact CG1-CG 4.31Å
1147R21.4Very low24.1Very low156 Ų156125 Ų12559%0.58970%0.704SS**  trans-105.2126.5155.7-99.3-172178127.81.3106.8C1145 W1186C1145-R1147 PolarHBondContact O-N 3.36Å; R1147-W1186 PolarHBondContact NH1-O 2.66Å
1148P23.1Very low23.1Very low124 Ų124127.1 Ų127.181%0.80572%0.72SS**  trans-64.2146.2171.726.7-30.3000109.9G1150P1148-G1150 PolarHBondContact O-N 2.88Å
1149S21Very low22.3Very low112 Ų112130.5 Ų130.578%0.78373%0.73SS**  trans-62.6127.4174.342.90000110.1K1151S1149-K1151 VanDerWaalsContact C-N 3.26Å; S1149-K1151 PolarHBondContact O-N 3.39Å
1150G22.7Very low21.8Very low86 Ų86129 Ų12989%0.88773%0.728SS**  trans-67.983.2170.500000111P1148P1148-G1150 PolarHBondContact O-N 2.88Å
1151K19.3Very low21.7Very low185 Ų185133.7 Ų133.780%0.80473%0.728SS**SBendtrans-114.7117.3143-88.9-170.6175.3-174.80106.7S1149S1149-K1151 VanDerWaalsContact C-N 3.26Å; S1149-K1151 PolarHBondContact O-N 3.39Å
1152F21.3Very low21.6Very low187 Ų187135 Ų13582%0.8273%0.727SS**  trans33.5105.6168.2-64.9-81.3000117.7
1153L21.1Very low21.6Very low170 Ų170134.1 Ų134.189%0.8973%0.733SS**  trans-149.596.9139.7-108.5154.7000109.9
1154Y20.5Very low21.5Very low209 Ų209127.8 Ų127.882%0.8273%0.725SS**  trans33.3126.5149-74.4-84.1000122.4
1155S20.8Very low21.4Very low94 Ų94138 Ų13866%0.65776%0.759SS**  trans-48.5144163.654.50000116.5
1156L20.3Very low21.3Very low184 Ų184136.5 Ų136.596%0.96376%0.761SS**  trans-142.4106.2139.6-105.5150.4000108.5
1157S21.4Very low21.2Very low88 Ų88141.7 Ų141.762%0.61577%0.771SS**  trans-104.4158.917550.50000110.5
1158S20.2Very low21.1Very low94 Ų94142 Ų14266%0.65778%0.78SS**  trans70128.8151.568.50000116.8
1159F21.3Very low21Very low175 Ų175146.3 Ų146.377%0.76878%0.78SS**  -161.8152.851.1-96.2-98.5000108.1
1160G20.3Very low21Very low47 Ų47149.7 Ų149.749%0.48578%0.783SS.*  cis88.479.235.700000110.3
1161E22.8Very low21Very low179 Ų179151 Ų15184%0.83678%0.776SS**  95.2143.895-101.4-168.6177.600116.3
1162S21.3Very low21.1Very low97 Ų97147.9 Ų147.968%0.67878%0.777SS**  trans84.2144157.784.50000118.1
1163S23.2Very low21.1Very low106 Ų106142.7 Ų142.774%0.74178%0.777SS**  cis-179163.5-14.154.30000108.1
1164S20.9Very low21.1Very low103 Ų103140.3 Ų140.372%0.7277%0.774SS**  trans118.598.2150.377.30000120
1165R20.6Very low21.2Very low257 Ų257136.1 Ų136.197%0.9778%0.776SS**  56113.2129-82.9-179.2166.2172.5-2.7120.8
1166G20.9Very low21.2Very low76 Ų76137.2 Ų137.278%0.78478%0.783SS**  trans-17576148.200000114.6
1167R20.3Very low21.3Very low246 Ų246134 Ų13493%0.92878%0.776SS**  trans2.5117.9139.2-98-177.8175.4177.6-0.9115.5
1168E20Very low21.3Very low163 Ų163136.2 Ų136.276%0.76279%0.786SS**  -175.5125.6104.3-97.8179.3173.300112.2
1169R19.7Very low21.3Very low215 Ų215140 Ų14081%0.81179%0.791SS**  trans46.3111.5143.8-64.3177.6175.2167.9-0.7120.8
1170H21.7Very low21.3Very low183 Ų183136.7 Ų136.785%0.84779%0.789SS**  trans25.9140.2136-59-74.9000119.8
1171P23.7Very low21.4Very low114 Ų114139 Ų13974%0.7479%0.794SS**  cis-146157.332.238.9-17.5000117.8
1172S21Very low21.3Very low119 Ų119136.5 Ų136.583%0.83279%0.785SS**  trans22.8121.6145.661.20000121.1
1173G21.1Very low21.3Very low78 Ų78143.1 Ų143.180%0.80480%0.795SS**  trans168.276.4162.500000112
1174S21.6Very low21.2Very low120 Ų120140.8 Ų140.884%0.83978%0.779SS**  trans-57.3123.9-178.547.40000115.8
1175S21.4Very low21.2Very low121 Ų121139.8 Ų139.885%0.84677%0.772SS**  trans-178.684.9143.746.40000112
1176S20.7Very low21.2Very low117 Ų117136.9 Ų136.982%0.81876%0.761SS**  trans-151.6145.9157.464.80000112.6
1177S22.3Very low21.2Very low116 Ų116139.3 Ų139.381%0.81176%0.756SS**  trans85.987.3171.381.20000118.6
1178T22.1Very low21.2Very low134 Ų134135 Ų13582%0.82275%0.75SS**  trans-14298.1143.422.80000107.2
1179F20.3Very low21.2Very low174 Ų174130.2 Ų130.276%0.76375%0.745SS**  trans-172.485.6146.2-97.8-68.2000108.4E940E940-F1179 VanDerWaalsContact OE2-CD1 3.28Å; E940-F1179 WeakPolarHBondContact OE2-CD1 3.34Å; E940-F1179 VanDerWaalsContact OE2-CE1 3.22Å; E940-F1179 WeakPolarHBondContact OE2-CE1 3.03Å
1180S21.4Very low21.3Very low105 Ų105125.8 Ų125.873%0.73475%0.747SS**  trans-162.956.2161.872.30000111.7
1181T22Very low21.3Very low95 Ų95126.6 Ų126.658%0.58375%0.751SS**  trans-167.1118.9162.3-20.20000103.7
1182I21.6Very low21.1Very low128 Ų128124.7 Ų124.766%0.65675%0.745SS**  -166.4134.953.9-73.4160.1000106.2
1183R21.1Very low21Very low236 Ų236127 Ų12789%0.89175%0.746SS**  -16870.7125.8-104.6175.3-174.1-168.93.7111.9
1184S20.9Very low21.3Very low56 Ų56128.6 Ų128.639%0.39274%0.744SS.*  trans-69.9144.8136.542.90000109.9
1185S20.3Very low22.1Very low82 Ų82128 Ų12857%0.57374%0.738SS**  trans96.2132.1163.1-50.20000117.5
1186W20.9Very low22.1Very low197 Ų197129.9 Ų129.975%0.74674%0.738SS**  cis-173.5159.99.3-104.25.2000112.7R1147R1147-W1186 PolarHBondContact NH1-O 2.66Å
1187N20.4Very low22.2Very low126 Ų126128.3 Ų128.367%0.67474%0.74SS**  trans40.8141.2133.2-57.4-17.1000127.6
1188L20.1Very low22.1Very low155 Ų155130.6 Ų130.681%0.81274%0.741SS**  trans-106.9153.7170-98.696.8000112.2
1189G20.8Very low22Very low63 Ų63128.9 Ų128.965%0.64974%0.735SS**  trans-134.3152.3159.700000108.9
1190S21.4Very low21.9Very low122 Ų122127.3 Ų127.385%0.85373%0.734SS**  74.7120.161.7-69.80000116.6
1191E21.9Very low21.9Very low200 Ų200129 Ų12994%0.93573%0.734SS**  trans156.6159.6144.4-89.8177.2-169.700111.8
1192A20.2Very low21.8Very low75 Ų75129 Ų12962%0.6274%0.738SS**  cis177.7133.9-33.900000110.8
1193I19.6Very low21.7Very low166 Ų166130.6 Ų130.685%0.85174%0.743SS**  trans82.5137.4136.5-58.2163.4000123.7
1194C25.6Very low21.7Very low113 Ų113127.1 Ų127.176%0.76473%0.734SS**  trans-56.6-176.1169.3-39.70000115
1195P38.7Very low21.7Very low107 Ų107130.5 Ų130.570%0.69575%0.748SS**  -159.417055.538.2-13.2000119.1
1196N21.8Very low21.8Very low161 Ų161133.4 Ų133.486%0.86176%0.757SS**  trans149.9126.9131.6-77.9-18.1000115.9
1197G22.4Very low21.9Very low83 Ų83131.9 Ų131.986%0.85676%0.758SS**  trans117.3103.5137.600000119.9
1198I20.7Very low22.1Very low164 Ų164134.1 Ų134.184%0.84176%0.764SS**  trans-91.3164.8-170.4-75.5155000115.3
1199S20Very low22.2Very low98 Ų98134 Ų13469%0.68576%0.764SS**  trans86.4137.6152.1640000118.7
1200N19.3Very low22.3Very low141 Ų141137.7 Ų137.775%0.75477%0.768SS**  cis-173.3150.524.5-119.2-7.6000111.6
1201I20.6Very low22.5Very low140 Ų140135.9 Ų135.972%0.71876%0.755SS**  trans94.7111.4144.5-64.2159.9000121.1
1202S19.5Very low22.6Very low96 Ų96134.1 Ų134.167%0.67175%0.752SS**  trans57.6141.2138.677.60000119.5
1203E19.7Very low22.9Very low162 Ų162133.7 Ų133.776%0.75774%0.744SS**  cis-177.9149.813.7-127.7177.2179.800106.5
1204F20.4Very low23Very low163 Ų163130.9 Ų130.972%0.71573%0.731SS**  trans77.4126.5154.7-78.5-77.9000123.5
1205D21.2Very low23.1Very low126 Ų126128.2 Ų128.267%0.67472%0.722SS**  trans91.694.1142.9-65-32000121.7
1206N22.7Very low22.5Very low143 Ų143130.3 Ų130.377%0.76573%0.726SS**  59.3126.4126.2-69.3-28.6000121.2
1207E23Very low22.5Very low166 Ų166131 Ų13178%0.77672%0.724SS**  trans7594.2159.3-60.3-174178.400117
1208H24.9Very low22.6Very low172 Ų172134.3 Ų134.380%0.79672%0.715SS**  -178.6109.3102.9-92.2-67.5000111.2L1210H1208-L1210 PolarHBondContact O-N 3.06Å
1209L22.2Very low22.8Very low154 Ų154130.4 Ų130.481%0.80670%0.702SS**  trans-48.5122.8145.8-79.6142.3000108.7
1210L23.7Very low23Very low139 Ų139134.1 Ų134.173%0.72871%0.714SS**  trans179.729.6140.2-96.2169.8000115.9H1208H1208-L1210 PolarHBondContact O-N 3.06Å
1211S24.7Very low23.2Very low85 Ų85132.1 Ų132.159%0.59470%0.702SS**SBendtrans-128.9-0.5169.360.30000116.5
1212N24.1Very low23.4Very low163 Ų163131.4 Ų131.487%0.87271%0.707SS**SBendtrans-114.25.9171.1-84.5-18.8000115.2
1213S25.5Very low23.5Very low65 Ų65133.6 Ų133.646%0.45571%0.71SS.*SBendtrans-101.111.9174.750.30000114.9
1214L23.1Very low23.7Very low108 Ų108133.4 Ų133.457%0.56571%0.713SS**SBendtrans-121.910172.2-78.6168.6000114.7F1218L1214-F1218 HydrophobicContact CD2-CE2 3.81Å; L1214-F1218 HydrophobicContact CD2-CZ 4Å
1215G26.8Very low23.9Very low57 Ų57136.4 Ų136.459%0.58872%0.72SS**SBendtrans-103.4-36.5-177.500000117
1216I25.8Very low24.1Very low150 Ų150138 Ų13877%0.76973%0.727SS**SBendtrans-135.912.8-163.7-56.6-177.8000113.9
1217Q23.2Very low24.4Very low177 Ų177135 Ų13583%0.82771%0.709SS**  trans-120.228.2169.5-82.3-176.1-29.800113.7S1219Q1217-S1219 VanDerWaalsContact C-N 3.26Å
1218F24.1Very low24.9Very low152 Ų152131 Ų13167%0.66770%0.697SS**  trans-843.8161.8-82.8-71.7000113.5L1214L1214-F1218 HydrophobicContact CD2-CE2 3.81Å; L1214-F1218 HydrophobicContact CD2-CZ 4Å
1219S23.9Very low25.4Very low81 Ų81127.2 Ų127.257%0.56670%0.696SS**SBendtrans-99.8130.4167.157.10000109.6Q1217Q1217-S1219 VanDerWaalsContact C-N 3.26Å
1220L24.8Very low26.4Very low176 Ų176120.5 Ų120.592%0.92166%0.66SS**  trans109.926.4174.2-53.5169.9000116.2
1221L24.4Very low27.2Very low99 Ų99117.2 Ų117.252%0.51865%0.647SS.*PPolyproline II helixtrans-76.4136.8149-71.5169.5000110L1223L1221-L1223 PolarHBondContact O-N 3.38Å
1222P23.8Very low28Very low126 Ų126120 Ų12082%0.81865%0.645SS**PPolyproline II helixtrans-78.3120.7179.730.2-29.7000110.2
1223L22.4Very low29.1Very low141 Ų141113.4 Ų113.474%0.73861%0.609SS**PPolyproline II helixtrans-82.2141.6-173.2-69.5151.9000111.6L1221 R1225L1221-L1223 PolarHBondContact O-N 3.38Å; L1223-R1225 VanDerWaalsContact C-N 3.33Å; L1223-R1225 HydrophobicContact CB-CG 4.35Å; L1223-R1225 PolarHBondContact O-N 3.18Å
1224I23.3Very low30.2Very low159 Ų159113.5 Ų113.582%0.81561%0.609SS**  trans-54.6100.8149.7-61.8167.4000105.9L1226I1224-L1226 PolarHBondContact O-N 3.17Å
1225R24.6Very low31.6Very low226 Ų226109.6 Ų109.685%0.85359%0.588SS**  trans-81.491.1-174.2-75.4-170.2-177.5-175.81.9110.4L1223 Q1227L1223-R1225 VanDerWaalsContact C-N 3.33Å; L1223-R1225 HydrophobicContact CB-CG 4.35Å; L1223-R1225 PolarHBondContact O-N 3.18Å; R1225-Q1227 PolarHBondContact O-N 2.97Å
1226L24.5Very low32.8Very low159 Ų159110.2 Ų110.283%0.83258%0.575SS**  trans-71.394.8156.2-67.9163.2000107.5I1224I1224-L1226 PolarHBondContact O-N 3.17Å
1227Q30.5Very low33.6Very low81 Ų81103.3 Ų103.338%0.37954%0.539SS..PPolyproline II helixtrans-74.3133.8-179-155.3172.711.100110.3R1225R1225-Q1227 PolarHBondContact O-N 2.97Å
1228P32.5Very low34.5Very low80 Ų8095.6 Ų95.652%0.51951%0.508SS..PPolyproline II helixtrans-67.4154.8-178.224.9-33000113R1303P1228-R1303 PolarHBondContact O-NH2 3.28Å
1229A35.7Very low35Very low94 Ų9497 Ų9778%0.77751%0.509SS*.PPolyproline II helixtrans-59149.917500000112
1230M43.3Very low35.2Very low13 Ų1397.9 Ų97.96%0.06451%0.506CS..PPolyproline II helixtrans-67.3143.1179.7-62.2-172.817700111.3L1295 R1303 W1304 L1305M1230-L1295 HydrophobicContact CE-CD1 4.38Å; M1230-L1295 HydrophobicContact CE-CD2 3.62Å; M1230-L1295 HydrophobicContact CE-CG 4.47Å; M1230-L1295 HydrophobicContact SD-CD2 3.93Å; M1230-R1303 HydrophobicContact CE-CB 3.75Å; M1230-R1303 HydrophobicContact CE-CG 4.36Å; M1230-W1304 WeakPolarHBondContact CB-O 3.29Å; M1230-L1305 HydrophobicContact CB-CB 4.49Å; M1230-L1305 HydrophobicContact CB-CD1 3.74Å; M1230-L1305 HydrophobicContact SD-CB 3.96Å; M1230-L1305 HydrophobicContact SD-CD1 4.2Å
1231P40.9Very low35.3Very low70 Ų7092.7 Ų92.746%0.45548%0.484SS..PPolyproline II helixtrans-66.5148.1-178.126.8-34000112.6L1305P1231-L1305 VanDerWaalsContact O-CD1 3.31Å; P1231-L1305 WeakPolarHBondContact O-CD1 3.27Å
1232R40.7Very low35.5Very low143 Ų14390.9 Ų90.954%0.5448%0.48SS..PPolyproline II helixtrans-65.3131.8171.9-77177.2-177.9-162.72.9110.8P1306R1232-P1306 HydrophobicContact CB-CG 4.25Å; R1232-P1306 HydrophobicContact CG-CB 3.95Å; R1232-P1306 HydrophobicContact CG-CG 3.44Å; R1232-P1306 VanDerWaalsContact CG-CG 3.44Å
1233M48.2Very low35.5Very low25 Ų2586.9 Ų86.912%0.12346%0.457CS..EExtended strand (participates in β ladder)trans-109.3139.6178.7-167.8-174.1-45.600110.3M1235 F1277 L1293 L1305 P1306 I1307 E1308 L1494M1233-M1235 HydrophobicContact SD-CG 4.3Å; M1233-F1277 HydrophobicContact CE-CE1 3.83Å; M1233-F1277 HydrophobicContact CE-CZ 3.39Å; M1233-F1277 HydrophobicContact CG-CZ 4.27Å; M1233-F1277 HydrophobicContact SD-CE1 3.96Å; M1233-F1277 HydrophobicContact SD-CZ 3.74Å; M1233-L1293 HydrophobicContact CE-CD2 4.09Å; M1233-L1305 HydrophobicContact CE-CD1 4.46Å; M1233-L1305 HydrophobicContact CE-CD2 3.91Å; M1233-P1306 PolarHBondContact N-O 3.16Å; M1233-I1307 HydrophobicContact CB-CG1 4.42Å; M1233-I1307 CarbonylContact O-C 3.55Å; M1233-I1307 VanDerWaalsContact O-CA 3.27Å; M1233-I1307 WeakPolarHBondContact O-CA 3.15Å; M1233-E1308 PolarHBondContact O-N 3.44Å; M1233-L1494 HydrophobicContact SD-CD2 4.31Å
1234C46.6Very low35.8Very low67 Ų6787.3 Ų87.345%0.45345%0.453SS..EExtended strand (participates in β ladder)trans-109.6132170.2-55.30000109.1F1236 E1308 Y1310C1234-F1236 HydrophobicContact CB-CE2 4.38Å; C1234-E1308 CarbonylContact C-O 3.57Å; C1234-E1308 WeakPolarHBondContact CA-O 3.06Å; C1234-Y1310 HydrophobicContact CB-CD2 4.43Å; C1234-Y1310 HydrophobicContact CB-CE2 4.15Å
1235M54.2Low35.9Very low26 Ų2685.9 Ų85.913%0.12845%0.447CS..EExtended strand (participates in β ladder)trans-117.2132.5-179.5-74.4-1767100111.1M1233 P1237 I1307 E1308 L1309 Y1310 I1458 L1494M1233-M1235 HydrophobicContact SD-CG 4.3Å; M1235-P1237 VanDerWaalsContact O-CD 3.27Å; M1235-P1237 WeakPolarHBondContact O-CD 3.07Å; M1235-I1307 HydrophobicContact CB-CG2 4.2Å; M1235-I1307 HydrophobicContact CG-CG2 3.68Å; M1235-I1307 HydrophobicContact SD-CD1 4.3Å; M1235-I1307 HydrophobicContact SD-CG2 3.44Å; M1235-I1307 WeakPolarHBondContact SD-CG2 3.47Å; M1235-E1308 PolarHBondContact N-O 3.13Å; M1235-L1309 HydrophobicContact CB-CD1 4.2Å; M1235-Y1310 PolarHBondContact O-N 3.08Å; M1235-I1458 HydrophobicContact CE-CD1 3.88Å; M1235-I1458 HydrophobicContact SD-CD1 4.42Å; M1235-L1494 HydrophobicContact CE-CB 4.31Å; M1235-L1494 HydrophobicContact CE-CD2 4.5Å; M1235-L1494 HydrophobicContact SD-CD2 4.23Å
1236F50.6Low36.2Very low69 Ų6979.7 Ų79.730%0.30343%0.431SS..  trans-114.683.7177.1-64.4-90.9000112.1C1234 G1238 I1240 Y1310 V1391 A1411C1234-F1236 HydrophobicContact CB-CE2 4.38Å; F1236-G1238 PolarHBondContact O-N 3.11Å; F1236-G1238 VanDerWaalsContact O-N 3.12Å; F1236-I1240 HydrophobicContact CB-CD1 4.25Å; F1236-Y1310 WeakPolarHBondContact CA-O 3.34Å; F1236-Y1310 HydrophobicContact CD1-CG 4.1Å; F1236-Y1310 VanDerWaalsContact CE1-CB 3.43Å; F1236-Y1310 HydrophobicContact CE1-CD1 4.12Å; F1236-Y1310 HydrophobicContact CE1-CD2 4.07Å; F1236-Y1310 AromaticContact CE1-CG 3.63Å; F1236-Y1310 HydrophobicContact CE1-CG 3.63Å; F1236-Y1310 HydrophobicContact CZ-CD2 4.1Å; F1236-Y1310 HydrophobicContact CZ-CG 4.12Å; F1236-V1391 HydrophobicContact CE1-CG2 4.16Å; F1236-A1411 HydrophobicContact CD1-CB 3.92Å; F1236-A1411 HydrophobicContact CE1-CB 4.09Å
1237P44.1Very low36.5Very low5 Ų579 Ų793%0.03242%0.423CS..  trans-61.7110.8173.8-21.429.3000112.8M1235 L1309 Y1310 I1311 Y1460 I1492M1235-P1237 VanDerWaalsContact O-CD 3.27Å; M1235-P1237 WeakPolarHBondContact O-CD 3.07Å; P1237-L1309 HydrophobicContact CG-CD1 3.51Å; P1237-L1309 HydrophobicContact CG-CG 4.32Å; P1237-Y1310 WeakPolarHBondContact CD-O 3.37Å; P1237-I1311 HydrophobicContact CB-CG1 4.48Å; P1237-I1311 HydrophobicContact CG-CG1 4.28Å; P1237-Y1460 HydrophobicContact CB-CD1 4.02Å; P1237-Y1460 HydrophobicContact CB-CE1 3.45Å; P1237-Y1460 VanDerWaalsContact CB-CE1 3.45Å; P1237-Y1460 PolarHBondContact O-OH 3.03Å; P1237-I1492 HydrophobicContact CB-CD1 3.93Å
1238G41Very low36.5Very low16 Ų1679.1 Ų79.117%0.16542%0.423CS..SBendtrans162.5178.4177.700000113.4F1236 I1240 Y1460F1236-G1238 PolarHBondContact O-N 3.11Å; F1236-G1238 VanDerWaalsContact O-N 3.12Å; G1238-I1240 PolarHBondContact O-N 3.07Å; G1238-Y1460 WeakPolarHBondContact CA-OH 3.47Å; G1238-Y1460 PolarHBondContact N-OH 3.49Å
1239R34Very low36.4Very low180 Ų18076.8 Ų76.868%0.67941%0.411SS*.  trans-67.460.5174.9-80.5-173.8162.3-179.8-3.9111.5C1241 E1314R1239-C1241 PolarHBondContact O-N 3.38Å; R1239-E1314 WeakPolarHBondContact CB-OE1 3.35Å; R1239-E1314 WeakPolarHBondContact CD-OE2 3Å; R1239-E1314 WeakPolarHBondContact CG-OE2 3.48Å; R1239-E1314 PolarHBondContact N-OE1 3.21Å
1240I29.7Very low36.2Very low100 Ų10075.5 Ų75.551%0.51339%0.39SS..  trans-84.356.4133.3-51.6173.7000105.4F1236 G1238 S1242 L1409F1236-I1240 HydrophobicContact CB-CD1 4.25Å; G1238-I1240 PolarHBondContact O-N 3.07Å; I1240-S1242 VanDerWaalsContact C-N 3.31Å; I1240-L1409 HydrophobicContact CD1-CD2 3.96Å
1241C26.9Very low35.6Very low67 Ų6778.7 Ų78.745%0.45341%0.408SS..  trans-96.672.4157.8-62.40000104.5R1239 F1244R1239-C1241 PolarHBondContact O-N 3.38Å; C1241-F1244 HydrophobicContact CB-CE1 4.21Å; C1241-F1244 HydrophobicContact CB-CE2 4.22Å; C1241-F1244 HydrophobicContact CB-CZ 3.89Å; C1241-F1244 WeakPolarHBondContact O-CE2 3.46Å
1242S27.3Very low35.2Very low62 Ų6279 Ų7943%0.43441%0.405SS..  trans-122.245.7162.464.90000108.5I1240 I1252I1240-S1242 VanDerWaalsContact C-N 3.31Å; S1242-I1252 WeakPolarHBondContact O-CD1 3.29Å
1243A25Very low34.7Very low42 Ų4278 Ų7835%0.34741%0.41SS..  trans-138.685.614300000104.6D1245 E1248 A1249A1243-D1245 PolarHBondContact O-N 3.16Å; A1243-E1248 WeakPolarHBondContact CA-OE2 3.39Å; A1243-E1248 HydrophobicContact CB-CB 4.09Å; A1243-E1248 HydrophobicContact CB-CG 4.41Å; A1243-A1249 HydrophobicContact CB-CB 3.6Å; A1243-A1249 VanDerWaalsContact CB-N 3.35Å
1244F27.9Very low33.7Very low149 Ų14984.2 Ų84.265%0.65443%0.432SS*.SBendtrans-67.6-11.4176.1-83.8-79.8000111.6C1241 E1248C1241-F1244 HydrophobicContact CB-CE1 4.21Å; C1241-F1244 HydrophobicContact CB-CE2 4.22Å; C1241-F1244 HydrophobicContact CB-CZ 3.89Å; C1241-F1244 WeakPolarHBondContact O-CE2 3.46Å; F1244-E1248 PolarHBondContact N-OE2 2.78Å
1245D25.7Very low32.9Very low129 Ų12986.3 Ų86.369%0.6944%0.438SS*.SBendtrans-147.4158.4163.5-98.2-38.2000112A1243 H1247 E1248 A1249A1243-D1245 PolarHBondContact O-N 3.16Å; D1245-H1247 PolarHBondContact O-N 2.76Å; D1245-E1248 WeakPolarHBondContact O-CB 3.45Å; D1245-E1248 PolarHBondContact O-N 3.3Å; D1245-A1249 PolarHBondContact O-N 3.27Å
1246L31.2Very low31.5Very low97 Ų9792.4 Ų92.451%0.50847%0.466SS..Hα-helixtrans-46.8-31.3-180-171.875.8000113.8A1249 I1250 V1279L1246-A1249 PolarHBondContact O-N 3.23Å; L1246-I1250 HydrophobicContact CD2-CD1 4.33Å; L1246-I1250 HydrophobicContact CG-CD1 4.02Å; L1246-I1250 VanDerWaalsContact O-CG1 3.3Å; L1246-I1250 WeakPolarHBondContact O-CG1 3.42Å; L1246-I1250 PolarHBondContact O-N 3.4Å; L1246-V1279 HydrophobicContact CD1-CG1 3.7Å; L1246-V1279 HydrophobicContact CD1-CG2 4.45Å
1247H31.1Very low30.4Very low143 Ų14393.2 Ų93.266%0.66248%0.481SS*.Hα-helixtrans-66.2-38.3178.2-103.4-64.9000113.1D1245 I1250 D1251D1245-H1247 PolarHBondContact O-N 2.76Å; H1247-I1250 PolarHBondContact O-N 3.01Å; H1247-D1251 PolarHBondContact O-N 3.37Å
1248E30Very low29.4Very low84 Ų8498 Ų9839%0.39351%0.51SS..Hα-helixtrans-71.1-34.7176.7-172.4178.5-161.200110.4A1243 F1244 D1245 D1251 I1252A1243-E1248 WeakPolarHBondContact CA-OE2 3.39Å; A1243-E1248 HydrophobicContact CB-CB 4.09Å; A1243-E1248 HydrophobicContact CB-CG 4.41Å; F1244-E1248 PolarHBondContact N-OE2 2.78Å; D1245-E1248 WeakPolarHBondContact O-CB 3.45Å; D1245-E1248 PolarHBondContact O-N 3.3Å; E1248-D1251 PolarHBondContact O-N 3.37Å; E1248-I1252 HydrophobicContact CG-CD1 4.21Å; E1248-I1252 VanDerWaalsContact O-CG1 3.26Å; E1248-I1252 WeakPolarHBondContact O-CG1 3.44Å; E1248-I1252 PolarHBondContact O-N 3.28Å
1249A29.3Very low28.7Very low32 Ų32102.1 Ų102.126%0.26454%0.535SS..Hα-helixtrans-63.7-40.8171.900000112.3A1243 D1245 L1246 L1253A1243-A1249 HydrophobicContact CB-CB 3.6Å; A1243-A1249 VanDerWaalsContact CB-N 3.35Å; D1245-A1249 PolarHBondContact O-N 3.27Å; L1246-A1249 PolarHBondContact O-N 3.23Å; A1249-L1253 WeakPolarHBondContact O-CB 3.42Å; A1249-L1253 WeakPolarHBondContact O-CD1 3.19Å; A1249-L1253 VanDerWaalsContact O-CG 3.3Å; A1249-L1253 WeakPolarHBondContact O-CG 3.43Å; A1249-L1253 PolarHBondContact O-N 3.12Å; A1249-L1253 VanDerWaalsContact O-N 3.1Å
1250I32.2Very low28.5Very low66 Ų66103 Ų10334%0.33854%0.544SS..Hα-helixtrans-70.3-37.8178.3-69167.5000111.3L1246 H1247 L1253 R1254L1246-I1250 HydrophobicContact CD2-CD1 4.33Å; L1246-I1250 HydrophobicContact CG-CD1 4.02Å; L1246-I1250 VanDerWaalsContact O-CG1 3.3Å; L1246-I1250 WeakPolarHBondContact O-CG1 3.42Å; L1246-I1250 PolarHBondContact O-N 3.4Å; H1247-I1250 PolarHBondContact O-N 3.01Å; I1250-L1253 PolarHBondContact O-N 3.07Å; I1250-R1254 VanDerWaalsContact O-CB 3.31Å; I1250-R1254 WeakPolarHBondContact O-CB 3.45Å; I1250-R1254 PolarHBondContact O-N 2.97Å
1251D31.8Very low28.3Very low81 Ų81106.3 Ų106.343%0.43356%0.557SS.*Hα-helixtrans-72.8-34.2178.9-80.5-13.6000112.3H1247 E1248 R1254 N1255H1247-D1251 PolarHBondContact O-N 3.37Å; E1248-D1251 PolarHBondContact O-N 3.37Å; D1251-R1254 PolarHBondContact O-N 2.91Å; D1251-N1255 WeakPolarHBondContact O-CB 3.15Å; D1251-N1255 VanDerWaalsContact O-CG 3.29Å; D1251-N1255 PolarHBondContact O-N 2.68Å; D1251-N1255 PolarHBondContact O-ND2 3.37Å
1252I31.4Very low28.2Very low76 Ų76109 Ų10939%0.3958%0.577SS.*Hα-helixtrans-64.3-46.9171.3-68.7167.2000110.2S1242 E1248 R1254 N1255 E1256S1242-I1252 WeakPolarHBondContact O-CD1 3.29Å; E1248-I1252 HydrophobicContact CG-CD1 4.21Å; E1248-I1252 VanDerWaalsContact O-CG1 3.26Å; E1248-I1252 WeakPolarHBondContact O-CG1 3.44Å; E1248-I1252 PolarHBondContact O-N 3.28Å; I1252-R1254 VanDerWaalsContact C-N 3.3Å; I1252-R1254 PolarHBondContact O-N 3.23Å; I1252-N1255 PolarHBondContact O-N 3.22Å; I1252-E1256 PolarHBondContact O-N 3.47Å
1253L29.6Very low28.1Very low123 Ų123111.1 Ų111.164%0.64459%0.59SS**Hα-helixtrans-66.3-30.1177.1-73.1168.9000113A1249 I1250A1249-L1253 WeakPolarHBondContact O-CB 3.42Å; A1249-L1253 WeakPolarHBondContact O-CD1 3.19Å; A1249-L1253 VanDerWaalsContact O-CG 3.3Å; A1249-L1253 WeakPolarHBondContact O-CG 3.43Å; A1249-L1253 PolarHBondContact O-N 3.12Å; A1249-L1253 VanDerWaalsContact O-N 3.1Å; I1250-L1253 PolarHBondContact O-N 3.07Å
1254R28.5Very low28.1Very low155 Ų155113.9 Ų113.959%0.58560%0.599SS**Hα-helixtrans-77.5-39.4175.3-91.1-176176.2177.4-0.1112.9I1250 D1251 I1252 E1256 S1257I1250-R1254 VanDerWaalsContact O-CB 3.31Å; I1250-R1254 WeakPolarHBondContact O-CB 3.45Å; I1250-R1254 PolarHBondContact O-N 2.97Å; D1251-R1254 PolarHBondContact O-N 2.91Å; I1252-R1254 VanDerWaalsContact C-N 3.3Å; I1252-R1254 PolarHBondContact O-N 3.23Å; R1254-E1256 VanDerWaalsContact C-N 3.34Å; R1254-E1256 PolarHBondContact O-N 3.15Å; R1254-S1257 PolarHBondContact O-N 3.35Å; R1254-S1257 PolarHBondContact O-OG 3.42Å
1255N28.7Very low28Very low111 Ų111110.6 Ų110.659%0.59459%0.591SS**Hα-helixtrans-71.5-30.6-176.5-73.4-18000112.2D1251 I1252 S1257 T1258D1251-N1255 WeakPolarHBondContact O-CB 3.15Å; D1251-N1255 VanDerWaalsContact O-CG 3.29Å; D1251-N1255 PolarHBondContact O-N 2.68Å; D1251-N1255 PolarHBondContact O-ND2 3.37Å; I1252-N1255 PolarHBondContact O-N 3.22Å; N1255-S1257 PolarHBondContact O-N 3Å; N1255-T1258 PolarHBondContact O-N 2.94Å; N1255-T1258 PolarHBondContact O-OG1 3.47Å
1256E26.3Very low28Very low153 Ų153107.6 Ų107.672%0.71558%0.584SS**Hα-helixtrans-65.8-25.3169-74.9-171.3156.500113.1I1252 R1254 T1258I1252-E1256 PolarHBondContact O-N 3.47Å; R1254-E1256 VanDerWaalsContact C-N 3.34Å; R1254-E1256 PolarHBondContact O-N 3.15Å; E1256-T1258 VanDerWaalsContact C-N 3.3Å; E1256-T1258 PolarHBondContact O-N 3.3Å
1257S25.9Very low27.8Very low86 Ų86110.2 Ų110.260%0.60159%0.591SS**THydrogen-bonded Turntrans-82.5-0.3177.975.20000114.7R1254 N1255 C1259R1254-S1257 PolarHBondContact O-N 3.35Å; R1254-S1257 PolarHBondContact O-OG 3.42Å; N1255-S1257 PolarHBondContact O-N 3Å; S1257-C1259 PolarHBondContact O-N 3.38Å
1258T24.7Very low27.5Very low106 Ų106110.1 Ų110.165%0.6559%0.591SS**THydrogen-bonded Turntrans-88.626.4176.163.40000113.9N1255 E1256 K1260N1255-T1258 PolarHBondContact O-N 2.94Å; N1255-T1258 PolarHBondContact O-OG1 3.47Å; E1256-T1258 VanDerWaalsContact C-N 3.3Å; E1256-T1258 PolarHBondContact O-N 3.3Å; T1258-K1260 PolarHBondContact O-N 3.12Å
1259C24.5Very low27.2Very low102 Ų102110.7 Ų110.769%0.68960%0.596SS**SBendtrans-72.7118.2159.5-124.80000108S1257 H1261S1257-C1259 PolarHBondContact O-N 3.38Å; C1259-H1261 PolarHBondContact O-N 3.09Å
1260K30Very low27Very low199 Ų199116.9 Ų116.987%0.86562%0.619SS**SBendtrans-6217.2-173.4-82.8179.9176.1172.40116.5T1258T1258-K1260 PolarHBondContact O-N 3.12Å
1261H25.6Very low26.7Very low170 Ų170118.4 Ų118.479%0.78764%0.636SS**SBendtrans-128100.9172.3-62.5-55.5000108.6C1259 C1263C1259-H1261 PolarHBondContact O-N 3.09Å; H1261-C1263 PolarHBondContact O-N 3.48Å
1262S25.5Very low26.4Very low124 Ų124119.4 Ų119.487%0.86764%0.641SS**  trans-61.5102.2179.9530000111
1263C24.5Very low26.1Very low105 Ų105118.2 Ų118.271%0.70965%0.647SS**  trans-91.7114.7168-162.30000108.7H1261 V1265H1261-C1263 PolarHBondContact O-N 3.48Å; C1263-V1265 HydrophobicContact CB-CG2 4.39Å; C1263-V1265 PolarHBondContact O-N 3.37Å
1264D26.3Very low26.1Very low100 Ų100115.7 Ų115.754%0.53563%0.634SS.*  trans-79.157.9-170.8-137.111.8000111.4A1266 K1267D1264-A1266 PolarHBondContact O-N 3.21Å; D1264-A1266 VanDerWaalsContact O-N 3.16Å; D1264-K1267 PolarHBondContact O-N 3.35Å; D1264-K1267 IonicContact OD2-NZ 3.07Å; D1264-K1267 PolarHBondContact OD2-NZ 2.91Å
1265V26Very low26.6Very low80 Ų80109.8 Ų109.849%0.48562%0.616SS.*Hα-helixtrans-60.3-25.5-172.61770000113.1C1263 K1267 Q1268 L1269C1263-V1265 HydrophobicContact CB-CG2 4.39Å; C1263-V1265 PolarHBondContact O-N 3.37Å; V1265-K1267 VanDerWaalsContact C-N 3.32Å; V1265-K1267 PolarHBondContact O-N 3.27Å; V1265-Q1268 PolarHBondContact O-N 2.97Å; V1265-L1269 HydrophobicContact CG1-CD1 4.07Å; V1265-L1269 PolarHBondContact O-N 2.74Å
1266A25.3Very low27.3Very low66 Ų66110.9 Ų110.955%0.54562%0.616SS.*Hα-helixtrans-63.8-33.2178.800000113.3D1264 H1270D1264-A1266 PolarHBondContact O-N 3.21Å; D1264-A1266 VanDerWaalsContact O-N 3.16Å; A1266-H1270 PolarHBondContact O-CD2 2.79Å
1267K26Very low28.1Very low152 Ų152109.2 Ų109.266%0.66161%0.606SS**Hα-helixtrans-75.1-28.4179.6-75.5178.4-174.3145.90113D1264 V1265D1264-K1267 PolarHBondContact O-N 3.35Å; D1264-K1267 IonicContact OD2-NZ 3.07Å; D1264-K1267 PolarHBondContact OD2-NZ 2.91Å; V1265-K1267 VanDerWaalsContact C-N 3.32Å; V1265-K1267 PolarHBondContact O-N 3.27Å
1268Q25.6Very low29.3Very low141 Ų141109.2 Ų109.266%0.65960%0.597SS**Hα-helixtrans-77.3-26.6176.7-70.7-171.8-8.600112.7V1265 S1271V1265-Q1268 PolarHBondContact O-N 2.97Å; Q1268-S1271 PolarHBondContact O-OG 2.71Å
1269L24.1Very low30.8Very low96 Ų96109.3 Ų109.350%0.50360%0.597SS.*Hα-helixtrans-74.6-29.1176.2-87156.6000113.4V1265 S1271 L1274V1265-L1269 HydrophobicContact CG1-CD1 4.07Å; V1265-L1269 PolarHBondContact O-N 2.74Å; L1269-S1271 VanDerWaalsContact C-N 3.32Å; L1269-S1271 PolarHBondContact O-N 3.16Å; L1269-L1274 HydrophobicContact CD2-CB 4.46Å; L1269-L1274 HydrophobicContact CD2-CD1 3.95Å
1270H24.2Very low32.7Very low162 Ų162105.7 Ų105.775%0.7557%0.573SS**Hα-helixtrans-67.2-27.3179.4-94.6-78.9000114.1A1266A1266-H1270 PolarHBondContact O-CD2 2.79Å
1271S26.9Very low34.7Very low98 Ų9899.4 Ų99.469%0.68555%0.548SS*.THydrogen-bonded Turntrans-84.9-13.8-177.960.70000114.2Q1268 L1269Q1268-S1271 PolarHBondContact O-OG 2.71Å; L1269-S1271 VanDerWaalsContact C-N 3.32Å; L1269-S1271 PolarHBondContact O-N 3.16Å
1272L24.2Very low36.5Very low103 Ų10395.9 Ų95.954%0.53954%0.54SS..THydrogen-bonded Turntrans-107.8-0.6-168.7-71.5168.4000115.4L1274L1272-L1274 HydrophobicContact CB-CD1 3.84Å; L1272-L1274 HydrophobicContact CB-CG 3.96Å; L1272-L1274 HydrophobicContact CD1-CD1 4.38Å; L1272-L1274 PolarHBondContact O-N 2.98Å; L1272-L1274 VanDerWaalsContact O-N 3.12Å
1273G26.4Very low38.5Very low51 Ų5194.6 Ų94.653%0.52652%0.523SS..THydrogen-bonded Turntrans57.531172.200000114.5
1274L27.9Very low40.6Very low70 Ų7095.1 Ų95.137%0.36651%0.514SS..PPolyproline II helixtrans-78.9144.9-174.5-69.4164.3000112L1269 L1272 K1276L1269-L1274 HydrophobicContact CD2-CB 4.46Å; L1269-L1274 HydrophobicContact CD2-CD1 3.95Å; L1272-L1274 HydrophobicContact CB-CD1 3.84Å; L1272-L1274 HydrophobicContact CB-CG 3.96Å; L1272-L1274 HydrophobicContact CD1-CD1 4.38Å; L1272-L1274 PolarHBondContact O-N 2.98Å; L1272-L1274 VanDerWaalsContact O-N 3.12Å; L1274-K1276 PolarHBondContact O-N 3.23Å
1275S40Very low42.8Very low30 Ų3091 Ų9121%0.2149%0.491CS..PPolyproline II helixtrans-54.1123.2173.251.30000111.2D1294 L1295S1275-D1294 WeakPolarHBondContact CA-O 3.27Å; S1275-L1295 VanDerWaalsContact CB-CD2 3.47Å
1276K43.1Very low44.7Very low135 Ų13589.6 Ų89.659%0.58748%0.483SS*.EExtended strand (participates in β ladder)trans-89132.7-176.3-66.7178.7-178.6176.40110L1274 D1294L1274-K1276 PolarHBondContact O-N 3.23Å; K1276-D1294 PolarHBondContact O-N 3.32Å
1277F43.7Very low46.7Very low117 Ų11793.6 Ų93.651%0.51350%0.496SS..EExtended strand (participates in β ladder)trans-83.5133163.4-72.4-89.4000109.5M1233 A1291 V1292 L1293M1233-F1277 HydrophobicContact CE-CE1 3.83Å; M1233-F1277 HydrophobicContact CE-CZ 3.39Å; M1233-F1277 HydrophobicContact CG-CZ 4.27Å; M1233-F1277 HydrophobicContact SD-CE1 3.96Å; M1233-F1277 HydrophobicContact SD-CZ 3.74Å; F1277-A1291 HydrophobicContact CD1-CB 4.37Å; F1277-V1292 CarbonylContact C-O 3.56Å; F1277-V1292 WeakPolarHBondContact CA-O 3.35Å; F1277-L1293 HydrophobicContact CD1-CD1 3.99Å; F1277-L1293 HydrophobicContact CD2-CD1 3.98Å; F1277-L1293 HydrophobicContact CE1-CB 4.47Å; F1277-L1293 HydrophobicContact CE1-CD1 3.87Å; F1277-L1293 HydrophobicContact CE2-CD1 3.85Å; F1277-L1293 HydrophobicContact CG-CD1 4.07Å; F1277-L1293 HydrophobicContact CZ-CD1 3.83Å
1278Q51.8Low48.4Very low87 Ų8792.6 Ų92.641%0.40749%0.488SS..EExtended strand (participates in β ladder)trans-122.4149.8174.8-67.7-179.912.200109.6V1292 D1294Q1278-V1292 PolarHBondContact N-O 3.36Å; Q1278-V1292 PolarHBondContact O-N 3.05Å; Q1278-D1294 VanDerWaalsContact CD-OD2 3.27Å; Q1278-D1294 PolarHBondContact NE2-OD2 3.26Å
1279V55Low50.4Low108 Ų10886.2 Ų86.266%0.65546%0.459SS*.PPolyproline II helixtrans-66.5131.8169.4-1790000108L1246 D1281L1246-V1279 HydrophobicContact CD1-CG1 3.7Å; L1246-V1279 HydrophobicContact CD1-CG2 4.45Å; V1279-D1281 PolarHBondContact O-N 2.82Å
1280P64.6Low51.9Low26 Ų2685.1 Ų85.117%0.16946%0.463CS..PPolyproline II helixtrans-62.6128.1179.817.9-23.8000110.6P1282 W1285 V1289 V1292P1280-P1282 WeakPolarHBondContact O-CD 3.36Å; P1280-W1285 HydrophobicContact CB-CB 4.03Å; P1280-W1285 HydrophobicContact CB-CG 4.15Å; P1280-V1289 HydrophobicContact CB-CB 4.33Å; P1280-V1289 HydrophobicContact CB-CG1 3.96Å; P1280-V1289 HydrophobicContact CG-CG1 4.29Å; P1280-V1289 WeakPolarHBondContact CG-O 3.2Å; P1280-V1292 HydrophobicContact CB-CG2 3.71Å
1281D71.3Confident53.6Low66 Ų6678.7 Ų78.735%0.35344%0.438SS..PPolyproline II helixtrans-70.4117169.8-176.9-3.6000109.1V1279 L1283 K1284 W1285V1279-D1281 PolarHBondContact O-N 2.82Å; D1281-L1283 PolarHBondContact O-N 3.31Å; D1281-L1283 VanDerWaalsContact O-N 3.07Å; D1281-L1283 WeakPolarHBondContact OD1-CB 3.26Å; D1281-L1283 PolarHBondContact OD1-N 3.49Å; D1281-L1283 VanDerWaalsContact OD1-N 3.15Å; D1281-K1284 HydrophobicContact CB-CB 4.49Å; D1281-K1284 PolarHBondContact O-N 2.77Å; D1281-W1285 PolarHBondContact O-N 2.81Å
1282P64.3Low55.4Low96 Ų9674.2 Ų74.262%0.62341%0.407SS*.THydrogen-bonded Turntrans-63.6-14.6-177.126.6-35.6000113.4P1280P1280-P1282 WeakPolarHBondContact O-CD 3.36Å
1283L68Low57.4Low98 Ų9869.3 Ų69.351%0.51338%0.381SS..THydrogen-bonded Turntrans-78.2-26.9174.5-64.4171.1000113D1281 I2002D1281-L1283 PolarHBondContact O-N 3.31Å; D1281-L1283 VanDerWaalsContact O-N 3.07Å; D1281-L1283 WeakPolarHBondContact OD1-CB 3.26Å; D1281-L1283 PolarHBondContact OD1-N 3.49Å; D1281-L1283 VanDerWaalsContact OD1-N 3.15Å; L1283-I2002 HydrophobicContact CD2-CD1 3.41Å; L1283-I2002 VanDerWaalsContact CD2-CD1 3.41Å; L1283-I2002 HydrophobicContact CD2-CG1 3.66Å
1284K68Low59.3Low115 Ų11568 Ų6850%0.536%0.362SS..THydrogen-bonded Turntrans-107.6-30.3-174-69.3-176.2179.3-178.80113.5D1281D1281-K1284 HydrophobicContact CB-CB 4.49Å; D1281-K1284 PolarHBondContact O-N 2.77Å
1285W71.5Confident61.1Low15 Ų1564.9 Ų64.96%0.05735%0.346CS..SBendtrans-112.3150.5-175-63.996.3000110.8P1280 D1281 V1289 V1292 V1352 Y1453 E1455 F1496P1280-W1285 HydrophobicContact CB-CB 4.03Å; P1280-W1285 HydrophobicContact CB-CG 4.15Å; D1281-W1285 PolarHBondContact O-N 2.81Å; W1285-V1289 HydrophobicContact CB-CB 4.03Å; W1285-V1289 HydrophobicContact CB-CG1 4.33Å; W1285-V1289 HydrophobicContact CB-CG2 4.07Å; W1285-V1289 HydrophobicContact CD2-CG1 4.3Å; W1285-V1289 HydrophobicContact CD2-CG2 4.49Å; W1285-V1289 HydrophobicContact CE3-CG1 4.18Å; W1285-V1289 HydrophobicContact CE3-CG2 3.88Å; W1285-V1289 HydrophobicContact CG-CG1 4.42Å; W1285-V1292 HydrophobicContact CD2-CG2 3.93Å; W1285-V1292 VanDerWaalsContact CE2-CG2 3.44Å; W1285-V1292 HydrophobicContact CG-CG2 4.09Å; W1285-V1292 HydrophobicContact CH2-CG1 4.36Å; W1285-V1292 HydrophobicContact CZ2-CB 4.3Å; W1285-V1292 HydrophobicContact CZ2-CG1 3.47Å; W1285-V1292 VanDerWaalsContact CZ2-CG1 3.47Å; W1285-V1292 HydrophobicContact CZ2-CG2 3.82Å; W1285-V1352 HydrophobicContact CE3-CG2 3.96Å; W1285-V1352 HydrophobicContact CH2-CG2 4.38Å; W1285-V1352 HydrophobicContact CZ3-CG2 3.7Å; W1285-Y1453 HydrophobicContact CH2-CD1 4.05Å; W1285-Y1453 AromaticContact CZ2-CD1 3.52Å; W1285-Y1453 HydrophobicContact CZ2-CD1 3.52Å; W1285-Y1453 HydrophobicContact CZ2-CE1 4.24Å; W1285-Y1453 HydrophobicContact CZ2-CG 4.45Å; W1285-E1455 HydrophobicContact CZ3-CB 4.41Å; W1285-F1496 VanDerWaalsContact CH2-N 3.34Å
1286C67.2Low62.1Low49 Ų4965.7 Ų65.733%0.33135%0.349SS..  trans-68.6151.7173.886.60000110.1R1288 V1289 E1455C1286-R1288 PolarHBondContact O-N 2.95Å; C1286-R1288 PolarHBondContact SG-N 2.92Å; C1286-V1289 WeakPolarHBondContact O-CB 3.46Å; C1286-V1289 PolarHBondContact O-N 3.45Å; C1286-E1455 PolarHBondContact SG-OE1 3.03Å
1287N66.1Low62.9Low150 Ų15059.4 Ų59.480%0.80232%0.322SS*.THydrogen-bonded Turntrans-60.7-7-179.7-65.2-7.2000114.3
1288R62.5Low63.5Low132 Ų13257 Ų5750%0.49831%0.311SS..THydrogen-bonded Turntrans-88.8-14.3175.9-55.3174.2176.5-177.4-10.6112.8C1286 A1290 S1493C1286-R1288 PolarHBondContact O-N 2.95Å; C1286-R1288 PolarHBondContact SG-N 2.92Å; R1288-A1290 PolarHBondContact O-N 2.77Å; R1288-S1493 PolarHBondContact O-N 3.38Å
1289V68Low63.4Low7 Ų754.4 Ų54.44%0.04230%0.302CS..EExtended strand (participates in β ladder)trans-71.3115.3174.6179.80000108P1280 W1285 C1286 A1291 V1292 E1455 S1493P1280-V1289 HydrophobicContact CB-CB 4.33Å; P1280-V1289 HydrophobicContact CB-CG1 3.96Å; P1280-V1289 HydrophobicContact CG-CG1 4.29Å; P1280-V1289 WeakPolarHBondContact CG-O 3.2Å; W1285-V1289 HydrophobicContact CB-CB 4.03Å; W1285-V1289 HydrophobicContact CB-CG1 4.33Å; W1285-V1289 HydrophobicContact CB-CG2 4.07Å; W1285-V1289 HydrophobicContact CD2-CG1 4.3Å; W1285-V1289 HydrophobicContact CD2-CG2 4.49Å; W1285-V1289 HydrophobicContact CE3-CG1 4.18Å; W1285-V1289 HydrophobicContact CE3-CG2 3.88Å; W1285-V1289 HydrophobicContact CG-CG1 4.42Å; C1286-V1289 WeakPolarHBondContact O-CB 3.46Å; C1286-V1289 PolarHBondContact O-N 3.45Å; V1289-A1291 WeakPolarHBondContact CG1-O 3.23Å; V1289-V1292 HydrophobicContact CG1-CG2 4.14Å; V1289-E1455 HydrophobicContact CG2-CG 4.01Å; V1289-S1493 VanDerWaalsContact CA-O 3.31Å; V1289-S1493 WeakPolarHBondContact CA-O 3.36Å
1290A55.3Low63.4Low73 Ų7354.1 Ų54.160%0.60329%0.29SS*.EExtended strand (participates in β ladder)trans-84-34.2-178.100000112.3R1288 S1493R1288-A1290 PolarHBondContact O-N 2.77Å; A1290-S1493 PolarHBondContact N-O 3.46Å
1291A59.6Low62.9Low27 Ų2755 Ų5522%0.22329%0.292CS..EExtended strand (participates in β ladder)trans-151.2155.3-178.400000110.9F1277 V1289 L1494 G1495F1277-A1291 HydrophobicContact CD1-CB 4.37Å; V1289-A1291 WeakPolarHBondContact CG1-O 3.23Å; A1291-L1494 HydrophobicContact CB-CD1 3.89Å; A1291-L1494 WeakPolarHBondContact O-CD1 3.32Å; A1291-G1495 PolarHBondContact O-N 2.53Å
1292V64Low62.2Low4 Ų454.8 Ų54.82%0.02429%0.293CS..EExtended strand (participates in β ladder)trans-118.7131.7175.2-178.60000109.7F1277 Q1278 P1280 W1285 V1289 G1495 K1497F1277-V1292 CarbonylContact C-O 3.56Å; F1277-V1292 WeakPolarHBondContact CA-O 3.35Å; Q1278-V1292 PolarHBondContact N-O 3.36Å; Q1278-V1292 PolarHBondContact O-N 3.05Å; P1280-V1292 HydrophobicContact CB-CG2 3.71Å; W1285-V1292 HydrophobicContact CD2-CG2 3.93Å; W1285-V1292 VanDerWaalsContact CE2-CG2 3.44Å; W1285-V1292 HydrophobicContact CG-CG2 4.09Å; W1285-V1292 HydrophobicContact CH2-CG1 4.36Å; W1285-V1292 HydrophobicContact CZ2-CB 4.3Å; W1285-V1292 HydrophobicContact CZ2-CG1 3.47Å; W1285-V1292 VanDerWaalsContact CZ2-CG1 3.47Å; W1285-V1292 HydrophobicContact CZ2-CG2 3.82Å; V1289-V1292 HydrophobicContact CG1-CG2 4.14Å; V1292-G1495 CarbonylContact C-O 3.6Å; V1292-G1495 VanDerWaalsContact CA-O 3.27Å; V1292-G1495 WeakPolarHBondContact CA-O 3.48Å; V1292-K1497 HydrophobicContact CG1-CB 4.21Å
1293L68Low61.8Low0 Ų051.8 Ų51.80%027%0.269CS..EExtended strand (participates in β ladder)trans-106.3120.5175.7-17469.9000110.3M1233 F1277 L1295 L1305 G1495 F1496 K1497M1233-L1293 HydrophobicContact CE-CD2 4.09Å; F1277-L1293 HydrophobicContact CD1-CD1 3.99Å; F1277-L1293 HydrophobicContact CD2-CD1 3.98Å; F1277-L1293 HydrophobicContact CE1-CB 4.47Å; F1277-L1293 HydrophobicContact CE1-CD1 3.87Å; F1277-L1293 HydrophobicContact CE2-CD1 3.85Å; F1277-L1293 HydrophobicContact CG-CD1 4.07Å; F1277-L1293 HydrophobicContact CZ-CD1 3.83Å; L1293-L1295 HydrophobicContact CD2-CD1 4.04Å; L1293-L1295 HydrophobicContact CD2-CD2 3.83Å; L1293-L1295 HydrophobicContact CD2-CG 4.02Å; L1293-L1295 HydrophobicContact CG-CD2 3.96Å; L1293-L1295 HydrophobicContact CG-CG 4.03Å; L1293-L1305 HydrophobicContact CD2-CD2 3.6Å; L1293-G1495 PolarHBondContact N-O 3.03Å; L1293-F1496 HydrophobicContact CB-CD1 3.91Å; L1293-F1496 HydrophobicContact CB-CE1 4.21Å; L1293-F1496 HydrophobicContact CD2-CD1 4Å; L1293-F1496 HydrophobicContact CD2-CE1 3.83Å; L1293-F1496 HydrophobicContact CG-CD1 4.48Å; L1293-F1496 WeakPolarHBondContact O-CA 3Å; L1293-K1497 PolarHBondContact O-N 2.99Å
1294D64.7Low61.3Low24 Ų2452.2 Ų52.213%0.12826%0.264CS..EExtended strand (participates in β ladder)trans-88.4119.4176.1-78.816000110.2S1275 K1276 Q1278 K1497S1275-D1294 WeakPolarHBondContact CA-O 3.27Å; K1276-D1294 PolarHBondContact O-N 3.32Å; Q1278-D1294 VanDerWaalsContact CD-OD2 3.27Å; Q1278-D1294 PolarHBondContact NE2-OD2 3.26Å; D1294-K1497 WeakPolarHBondContact CA-O 3.33Å; D1294-K1497 WeakPolarHBondContact OD1-CB 3.35Å; D1294-K1497 VanDerWaalsContact OD1-CD 3.25Å; D1294-K1497 WeakPolarHBondContact OD1-CD 3.35Å; D1294-K1497 IonicContact OD2-NZ 3.53Å
1295L67.3Low61.1Low4 Ų446.8 Ų46.82%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-125.9135.8-175.2-66179.4000110.7M1230 S1275 L1293 F1421 F1496 K1497 L1498 E1499M1230-L1295 HydrophobicContact CE-CD1 4.38Å; M1230-L1295 HydrophobicContact CE-CD2 3.62Å; M1230-L1295 HydrophobicContact CE-CG 4.47Å; M1230-L1295 HydrophobicContact SD-CD2 3.93Å; S1275-L1295 VanDerWaalsContact CB-CD2 3.47Å; L1293-L1295 HydrophobicContact CD2-CD1 4.04Å; L1293-L1295 HydrophobicContact CD2-CD2 3.83Å; L1293-L1295 HydrophobicContact CD2-CG 4.02Å; L1293-L1295 HydrophobicContact CG-CD2 3.96Å; L1293-L1295 HydrophobicContact CG-CG 4.03Å; L1295-F1421 HydrophobicContact CD1-CD1 4.03Å; L1295-F1421 HydrophobicContact CD1-CD2 4.2Å; L1295-F1421 HydrophobicContact CD1-CE1 3.52Å; L1295-F1421 HydrophobicContact CD1-CE2 3.7Å; L1295-F1421 HydrophobicContact CD1-CG 4.36Å; L1295-F1421 HydrophobicContact CD1-CZ 3.34Å; L1295-F1496 HydrophobicContact CD1-CD1 4.12Å; L1295-K1497 PolarHBondContact N-O 3.41Å; L1295-L1498 HydrophobicContact CB-CD2 3.64Å; L1295-L1498 HydrophobicContact CD1-CD2 3.94Å; L1295-L1498 HydrophobicContact CG-CD2 4.41Å; L1295-L1498 CarbonylContact O-C 3.57Å; L1295-L1498 WeakPolarHBondContact O-CA 3.47Å; L1295-E1499 PolarHBondContact O-N 3Å
1296T59.8Low60.6Low46 Ų4646.4 Ų46.428%0.28224%0.24SC..EExtended strand (participates in β ladder)trans-113.8135.3175.1420000110.2E1499T1296-E1499 WeakPolarHBondContact CA-O 3.19Å; T1296-E1499 HydrophobicContact CG2-CB 3.86Å
1297I61Low60.4Low3 Ų344.1 Ų44.12%0.01523%0.225CC..EExtended strand (participates in β ladder)trans-135.9132.8-179.2-53.9177.5000108.9E1301 F1421 L1498 E1499 L1500 L1501I1297-E1301 HydrophobicContact CG2-CB 3.87Å; I1297-E1301 HydrophobicContact CG2-CG 4.45Å; I1297-E1301 WeakPolarHBondContact CG2-O 3.4Å; I1297-F1421 HydrophobicContact CD1-CB 3.51Å; I1297-F1421 HydrophobicContact CD1-CG 4.32Å; I1297-L1498 HydrophobicContact CD1-CD2 3.72Å; I1297-L1498 HydrophobicContact CG1-CD2 4.42Å; I1297-E1499 PolarHBondContact N-O 3.34Å; I1297-L1500 HydrophobicContact CB-CD2 4.1Å; I1297-L1500 CarbonylContact O-C 3.48Å; I1297-L1500 WeakPolarHBondContact O-CA 3.4Å; I1297-L1501 PolarHBondContact O-N 3.28Å
1298F55.4Low60.3Low66 Ų6638.3 Ų38.329%0.28919%0.193SC..  trans-82.7167.6178.1-71.2-80.6000112.5Y1300 E1301 S1423 L1501F1298-Y1300 PolarHBondContact O-N 2.7Å; F1298-E1301 HydrophobicContact CB-CB 4.16Å; F1298-E1301 WeakPolarHBondContact CB-OE2 3.25Å; F1298-E1301 VanDerWaalsContact CD2-OE2 3.3Å; F1298-E1301 WeakPolarHBondContact CD2-OE2 3.14Å; F1298-E1301 PolarHBondContact N-OE2 3.31Å; F1298-E1301 WeakPolarHBondContact O-CB 3.17Å; F1298-E1301 PolarHBondContact O-N 3.38Å; F1298-S1423 PolarHBondContact O-OG 3.18Å; F1298-L1501 HydrophobicContact CD1-CB 3.96Å; F1298-L1501 HydrophobicContact CD1-CD1 3.9Å; F1298-L1501 HydrophobicContact CE1-CB 4.16Å; F1298-L1501 HydrophobicContact CE1-CD1 3.41Å; F1298-L1501 VanDerWaalsContact CE1-CD1 3.41Å; F1298-L1501 HydrophobicContact CE1-CG 4.43Å; F1298-L1501 HydrophobicContact CE2-CD1 4.2Å; F1298-L1501 HydrophobicContact CG-CD1 4.48Å; F1298-L1501 HydrophobicContact CZ-CD1 3.57Å
1299P49.5Very low60.5Low33 Ų3332 Ų3221%0.21417%0.169CC..THydrogen-bonded Turntrans-59.1129.2175.9-22.834.6000112.6E1301 W1427 L1501P1299-E1301 VanDerWaalsContact C-N 3.25Å; P1299-E1301 PolarHBondContact O-N 3.35Å; P1299-W1427 HydrophobicContact CB-CD2 4.15Å; P1299-W1427 HydrophobicContact CB-CG 4.2Å; P1299-W1427 HydrophobicContact CB-CZ2 4.47Å; P1299-W1427 HydrophobicContact CG-CZ2 4.05Å; P1299-L1501 VanDerWaalsContact CD-O 3.25Å; P1299-L1501 WeakPolarHBondContact CD-O 3.28Å; P1299-L1501 VanDerWaalsContact CG-O 3.26Å; P1299-L1501 WeakPolarHBondContact CG-O 3.05Å
1300Y55.4Low60.3Low102 Ų10233.6 Ų33.640%0.418%0.175SC..THydrogen-bonded Turntrans59.429.9-178.4-51-79.2000114.7F1298 S1423 D1424 W1427 Q1428 T1431F1298-Y1300 PolarHBondContact O-N 2.7Å; Y1300-S1423 PolarHBondContact N-OG 3.32Å; Y1300-D1424 VanDerWaalsContact C-OD1 3.22Å; Y1300-D1424 WeakPolarHBondContact CA-OD1 3.19Å; Y1300-W1427 HydrophobicContact CD1-CB 3.99Å; Y1300-W1427 HydrophobicContact CD2-CB 4.33Å; Y1300-W1427 HydrophobicContact CE1-CB 3.49Å; Y1300-W1427 VanDerWaalsContact CE1-CB 3.49Å; Y1300-W1427 HydrophobicContact CE2-CB 3.87Å; Y1300-W1427 HydrophobicContact CG-CB 4.39Å; Y1300-W1427 VanDerWaalsContact CZ-CB 3.43Å; Y1300-W1427 PolarHBondContact OH-O 2.84Å; Y1300-Q1428 HydrophobicContact CE1-CG 4.07Å; Y1300-T1431 PolarHBondContact OH-OG1 3.33Å
1301E53.2Low60.8Low44 Ų4430.1 Ų30.121%0.20615%0.146CC..  trans-100.5147.2176.1-169.6-168-178.500111.9I1297 F1298 P1299 R1303 S1423I1297-E1301 HydrophobicContact CG2-CB 3.87Å; I1297-E1301 HydrophobicContact CG2-CG 4.45Å; I1297-E1301 WeakPolarHBondContact CG2-O 3.4Å; F1298-E1301 HydrophobicContact CB-CB 4.16Å; F1298-E1301 WeakPolarHBondContact CB-OE2 3.25Å; F1298-E1301 VanDerWaalsContact CD2-OE2 3.3Å; F1298-E1301 WeakPolarHBondContact CD2-OE2 3.14Å; F1298-E1301 PolarHBondContact N-OE2 3.31Å; F1298-E1301 WeakPolarHBondContact O-CB 3.17Å; F1298-E1301 PolarHBondContact O-N 3.38Å; P1299-E1301 VanDerWaalsContact C-N 3.25Å; P1299-E1301 PolarHBondContact O-N 3.35Å; E1301-R1303 HydrophobicContact CG-CG 4.34Å; E1301-R1303 WeakPolarHBondContact OE1-CD 3.43Å; E1301-S1423 PolarHBondContact N-OG 3.42Å; E1301-S1423 PolarHBondContact O-N 3.42Å; E1301-S1423 PolarHBondContact O-OG 3.23Å; E1301-S1423 VanDerWaalsContact O-OG 3.05Å
1302T57.7Low60.9Low63 Ų6332.2 Ų32.239%0.38715%0.148SC..EExtended strand (participates in β ladder)trans-124.3137.1171.765.10000112.3F1421 D1422T1302-F1421 CarbonylContact C-O 3.58Å; T1302-F1421 VanDerWaalsContact CA-O 3.26Å; T1302-F1421 WeakPolarHBondContact CA-O 3.45Å; T1302-D1422 HydrophobicContact CG2-CB 4.1Å; T1302-D1422 WeakPolarHBondContact CG2-OD1 3.38Å; T1302-D1422 WeakPolarHBondContact CG2-OD2 3.4Å
1303R55.2Low60.8Low32 Ų3232.4 Ų32.412%0.12115%0.149CC..EExtended strand (participates in β ladder)trans-136.3152.4-180-59.4-169.672.4-170.33.4112.8P1228 M1230 E1301 F1421P1228-R1303 PolarHBondContact O-NH2 3.28Å; M1230-R1303 HydrophobicContact CE-CB 3.75Å; M1230-R1303 HydrophobicContact CE-CG 4.36Å; E1301-R1303 HydrophobicContact CG-CG 4.34Å; E1301-R1303 WeakPolarHBondContact OE1-CD 3.43Å; R1303-F1421 PolarHBondContact N-O 3.42Å; R1303-F1421 PolarHBondContact O-N 3.07Å
1304W58.4Low60.1Low107 Ų10733.9 Ų33.941%0.40516%0.156SC..EExtended strand (participates in β ladder)trans-123.3136.9-175.8-66.781000112.8M1230 I1373 W1418 L1419 K1420M1230-W1304 WeakPolarHBondContact CB-O 3.29Å; W1304-I1373 HydrophobicContact CH2-CD1 3.46Å; W1304-I1373 VanDerWaalsContact CH2-CD1 3.46Å; W1304-I1373 HydrophobicContact CZ3-CD1 3.47Å; W1304-I1373 VanDerWaalsContact CZ3-CD1 3.47Å; W1304-W1418 HydrophobicContact CB-CE3 4.39Å; W1304-W1418 HydrophobicContact CB-CZ3 4.48Å; W1304-W1418 HydrophobicContact CE3-CB 4.33Å; W1304-W1418 HydrophobicContact CE3-CE3 4.39Å; W1304-W1418 HydrophobicContact CZ3-CB 4.42Å; W1304-L1419 CarbonylContact C-O 3.6Å; W1304-L1419 WeakPolarHBondContact CA-O 3.45Å; W1304-K1420 HydrophobicContact CD2-CB 3.97Å; W1304-K1420 HydrophobicContact CD2-CG 4.03Å; W1304-K1420 HydrophobicContact CE3-CB 3.8Å; W1304-K1420 HydrophobicContact CE3-CG 4.35Å; W1304-K1420 HydrophobicContact CH2-CB 3.83Å; W1304-K1420 HydrophobicContact CH2-CD 3.91Å; W1304-K1420 HydrophobicContact CH2-CG 4Å; W1304-K1420 HydrophobicContact CZ2-CB 3.97Å; W1304-K1420 HydrophobicContact CZ2-CD 3.54Å; W1304-K1420 HydrophobicContact CZ2-CG 3.62Å; W1304-K1420 HydrophobicContact CZ3-CB 3.75Å; W1304-K1420 HydrophobicContact CZ3-CG 4.35Å
1305L63.6Low59.3Low2 Ų236.3 Ų36.31%0.0117%0.169CC..EExtended strand (participates in β ladder)trans-126.9111.8178.8-177.868.1000112.1M1230 P1231 M1233 L1293 L1419 F1421 F1496M1230-L1305 HydrophobicContact CB-CB 4.49Å; M1230-L1305 HydrophobicContact CB-CD1 3.74Å; M1230-L1305 HydrophobicContact SD-CB 3.96Å; M1230-L1305 HydrophobicContact SD-CD1 4.2Å; P1231-L1305 VanDerWaalsContact O-CD1 3.31Å; P1231-L1305 WeakPolarHBondContact O-CD1 3.27Å; M1233-L1305 HydrophobicContact CE-CD1 4.46Å; M1233-L1305 HydrophobicContact CE-CD2 3.91Å; L1293-L1305 HydrophobicContact CD2-CD2 3.6Å; L1305-L1419 HydrophobicContact CB-CB 4.35Å; L1305-L1419 HydrophobicContact CD2-CD1 4.5Å; L1305-L1419 PolarHBondContact N-O 2.82Å; L1305-L1419 PolarHBondContact O-N 3.29Å; L1305-F1421 HydrophobicContact CB-CE2 3.9Å; L1305-F1421 HydrophobicContact CD2-CE2 4.24Å; L1305-F1496 HydrophobicContact CD2-CE1 4.21Å
1306P61.3Low58.3Low6 Ų641.3 Ų41.34%0.03919%0.187CC..EExtended strand (participates in β ladder)trans-82.7132.4175.122.1-22.8000114.1R1232 M1233 L1416 W1418R1232-P1306 HydrophobicContact CB-CG 4.25Å; R1232-P1306 HydrophobicContact CG-CB 3.95Å; R1232-P1306 HydrophobicContact CG-CG 3.44Å; R1232-P1306 VanDerWaalsContact CG-CG 3.44Å; M1233-P1306 PolarHBondContact N-O 3.16Å; P1306-L1416 HydrophobicContact CB-CD1 4.03Å; P1306-W1418 HydrophobicContact CB-CD2 3.99Å; P1306-W1418 HydrophobicContact CB-CE3 3.71Å; P1306-W1418 HydrophobicContact CB-CH2 3.68Å; P1306-W1418 HydrophobicContact CB-CZ2 3.94Å; P1306-W1418 HydrophobicContact CB-CZ3 3.56Å; P1306-W1418 HydrophobicContact CG-CE3 4.09Å; P1306-W1418 HydrophobicContact CG-CH2 3.75Å; P1306-W1418 HydrophobicContact CG-CZ2 4.49Å; P1306-W1418 HydrophobicContact CG-CZ3 3.52Å
1307I62.9Low57.3Low2 Ų245.1 Ų45.11%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-124.9113.7-179.5-57.5179.8000111.4M1233 M1235 L1416 I1417 L1419 L1456M1233-I1307 HydrophobicContact CB-CG1 4.42Å; M1233-I1307 CarbonylContact O-C 3.55Å; M1233-I1307 VanDerWaalsContact O-CA 3.27Å; M1233-I1307 WeakPolarHBondContact O-CA 3.15Å; M1235-I1307 HydrophobicContact CB-CG2 4.2Å; M1235-I1307 HydrophobicContact CG-CG2 3.68Å; M1235-I1307 HydrophobicContact SD-CD1 4.3Å; M1235-I1307 HydrophobicContact SD-CG2 3.44Å; M1235-I1307 WeakPolarHBondContact SD-CG2 3.47Å; I1307-L1416 CarbonylContact O-C 3.58Å; I1307-L1416 WeakPolarHBondContact O-CA 3.37Å; I1307-I1417 PolarHBondContact N-O 2.82Å; I1307-I1417 PolarHBondContact O-N 3.04Å; I1307-L1419 HydrophobicContact CD1-CD1 3.55Å; I1307-L1419 HydrophobicContact CD1-CG 4.01Å; I1307-L1456 HydrophobicContact CD1-CD2 4.46Å
1308E63.1Low55.9Low28 Ų2851.8 Ų51.813%0.13124%0.236CC..EExtended strand (participates in β ladder)trans-88.8127.4173-70.2180175.900111.3M1233 C1234 M1235 Y1310 L1416M1233-E1308 PolarHBondContact O-N 3.44Å; C1234-E1308 CarbonylContact C-O 3.57Å; C1234-E1308 WeakPolarHBondContact CA-O 3.06Å; M1235-E1308 PolarHBondContact N-O 3.13Å; E1308-Y1310 HydrophobicContact CB-CE2 3.94Å; E1308-L1416 HydrophobicContact CB-CD1 4.42Å; E1308-L1416 HydrophobicContact CG-CD1 3.45Å; E1308-L1416 VanDerWaalsContact CG-CD1 3.45Å
1309L68.2Low54.8Low0 Ų054.3 Ų54.30%026%0.256CS..EExtended strand (participates in β ladder)trans-105129.9-172.6-166.473.7000112.1M1235 P1237 I1311 L1345 V1414 G1415 I1458M1235-L1309 HydrophobicContact CB-CD1 4.2Å; P1237-L1309 HydrophobicContact CG-CD1 3.51Å; P1237-L1309 HydrophobicContact CG-CG 4.32Å; L1309-I1311 HydrophobicContact CD2-CD1 4.1Å; L1309-I1311 HydrophobicContact CG-CG1 4.44Å; L1309-L1345 HydrophobicContact CD2-CD1 4.08Å; L1309-L1345 HydrophobicContact CD2-CD2 4.03Å; L1309-V1414 HydrophobicContact CB-CB 4.38Å; L1309-V1414 HydrophobicContact CD2-CB 4.28Å; L1309-V1414 HydrophobicContact CD2-CG1 4.08Å; L1309-V1414 HydrophobicContact CG-CB 4.46Å; L1309-V1414 WeakPolarHBondContact O-CB 3.36Å; L1309-V1414 PolarHBondContact O-N 3.49Å; L1309-G1415 PolarHBondContact N-O 3.47Å; L1309-I1458 HydrophobicContact CD1-CD1 4.28Å
1310Y62.1Low53.9Low40 Ų4057.3 Ų57.316%0.15728%0.279CS..EExtended strand (participates in β ladder)trans-128.5118.3179.8-68.8-96.1000111.7C1234 M1235 F1236 P1237 E1308 T1412 H1413C1234-Y1310 HydrophobicContact CB-CD2 4.43Å; C1234-Y1310 HydrophobicContact CB-CE2 4.15Å; M1235-Y1310 PolarHBondContact O-N 3.08Å; F1236-Y1310 WeakPolarHBondContact CA-O 3.34Å; F1236-Y1310 HydrophobicContact CD1-CG 4.1Å; F1236-Y1310 VanDerWaalsContact CE1-CB 3.43Å; F1236-Y1310 HydrophobicContact CE1-CD1 4.12Å; F1236-Y1310 HydrophobicContact CE1-CD2 4.07Å; F1236-Y1310 AromaticContact CE1-CG 3.63Å; F1236-Y1310 HydrophobicContact CE1-CG 3.63Å; F1236-Y1310 HydrophobicContact CZ-CD2 4.1Å; F1236-Y1310 HydrophobicContact CZ-CG 4.12Å; P1237-Y1310 WeakPolarHBondContact CD-O 3.37Å; E1308-Y1310 HydrophobicContact CB-CE2 3.94Å; Y1310-T1412 CarbonylContact C-O 3.34Å; Y1310-T1412 WeakPolarHBondContact CA-O 3.43Å; Y1310-H1413 HydrophobicContact CD1-CB 3.81Å; Y1310-H1413 HydrophobicContact CE1-CB 3.57Å; Y1310-H1413 AromaticContact CE1-CD2 3.74Å; Y1310-H1413 AromaticContact CE1-CG 3.98Å; Y1310-H1413 AromaticContact CE2-CD2 3.99Å; Y1310-H1413 AromaticContact CZ-CD2 3.59Å
1311I67.1Low52.7Low0 Ų058.9 Ų58.90%029%0.292CS..EExtended strand (participates in β ladder)trans-111.8138.1-174-67.1-178.3000111.3P1237 L1309 L1342 L1345 T1412 V1414 Y1460P1237-I1311 HydrophobicContact CB-CG1 4.48Å; P1237-I1311 HydrophobicContact CG-CG1 4.28Å; L1309-I1311 HydrophobicContact CD2-CD1 4.1Å; L1309-I1311 HydrophobicContact CG-CG1 4.44Å; I1311-L1342 HydrophobicContact CD1-CD1 4.09Å; I1311-L1342 HydrophobicContact CD1-CD2 3.54Å; I1311-L1342 HydrophobicContact CG2-CD1 4.3Å; I1311-L1345 HydrophobicContact CD1-CD1 4.24Å; I1311-T1412 PolarHBondContact N-O 2.99Å; I1311-T1412 PolarHBondContact O-N 3.16Å; I1311-V1414 HydrophobicContact CB-CG2 3.73Å; I1311-V1414 HydrophobicContact CD1-CG2 3.91Å; I1311-V1414 HydrophobicContact CG1-CG2 3.72Å; I1311-Y1460 HydrophobicContact CD1-CD2 4.04Å; I1311-Y1460 HydrophobicContact CD1-CG 4.17Å; I1311-Y1460 HydrophobicContact CG2-CD2 3.82Å; I1311-Y1460 HydrophobicContact CG2-CE2 3.75Å
1312R60.6Low51.6Low70 Ų7064 Ų6426%0.26432%0.321SS..  trans-115139.5-179.7-177.9-179.9-177.1179.90.5112.2N1388 Y1410 A1411R1312-N1388 VanDerWaalsContact CA-OD1 3.31Å; R1312-N1388 WeakPolarHBondContact CA-OD1 3.31Å; R1312-N1388 WeakPolarHBondContact CG-OD1 3.38Å; R1312-Y1410 WeakPolarHBondContact CD-O 3.45Å; R1312-Y1410 WeakPolarHBondContact CG-O 3.32Å; R1312-A1411 HydrophobicContact CB-CB 4.38Å
1313D61.9Low50.4Low9 Ų967.4 Ų67.45%0.04834%0.337CS..  trans-91.6102.3169.1177.918000111.2N1315 R1340 V1386 N1388D1313-N1315 VanDerWaalsContact C-N 3.35Å; D1313-N1315 PolarHBondContact O-N 3.31Å; D1313-N1315 PolarHBondContact OD1-N 2.95Å; D1313-R1340 IonicContact OD1-NH1 2.79Å; D1313-V1386 HydrophobicContact CB-CB 4.34Å; D1313-V1386 HydrophobicContact CB-CG1 3.79Å; D1313-N1388 PolarHBondContact N-ND2 3.12Å; D1313-N1388 PolarHBondContact N-OD1 3.34Å; D1313-N1388 PolarHBondContact O-ND2 3.1Å
1314E52.9Low49.3Very low30 Ų3072.8 Ų72.814%0.1437%0.368CS..G310 helixtrans-76.5-19.3-175.1-76.7168-149.700115R1239 R1316 F1317 R1490R1239-E1314 WeakPolarHBondContact CB-OE1 3.35Å; R1239-E1314 WeakPolarHBondContact CD-OE2 3Å; R1239-E1314 WeakPolarHBondContact CG-OE2 3.48Å; R1239-E1314 PolarHBondContact N-OE1 3.21Å; E1314-R1316 PolarHBondContact O-N 2.69Å; E1314-R1316 VanDerWaalsContact O-N 3.1Å; E1314-F1317 PolarHBondContact O-N 2.81Å; E1314-F1317 VanDerWaalsContact O-N 3.16Å; E1314-R1490 VanDerWaalsContact CD-NH2 3.34Å; E1314-R1490 IonicContact OE1-CZ 2.78Å; E1314-R1490 IonicContact OE1-NH1 3.34Å; E1314-R1490 PolarHBondContact OE1-NH1 3.37Å; E1314-R1490 IonicContact OE1-NH2 2.83Å; E1314-R1490 IonicContact OE2-CZ 3.29Å; E1314-R1490 VanDerWaalsContact OE2-CZ 3.32Å; E1314-R1490 IonicContact OE2-NH1 3.13Å; E1314-R1490 PolarHBondContact OE2-NH1 3.2Å; E1314-R1490 IonicContact OE2-NH2 3.66Å; E1314-R1490 PolarHBondContact OE2-NH2 2.96Å
1315N49.8Very low48Very low76 Ų7674.2 Ų74.241%0.40638%0.384SS..G310 helixtrans-68.9-12.5-173.9-80.8-23.6000113.2D1313 F1317 R1340D1313-N1315 VanDerWaalsContact C-N 3.35Å; D1313-N1315 PolarHBondContact O-N 3.31Å; D1313-N1315 PolarHBondContact OD1-N 2.95Å; N1315-F1317 PolarHBondContact O-N 3.24Å; N1315-R1340 VanDerWaalsContact CG-NH1 3.32Å; N1315-R1340 PolarHBondContact ND2-NH1 2.86Å
1316R44.6Very low46.7Very low108 Ų10880.6 Ų80.641%0.40843%0.425SS..G310 helixtrans-62-20.2171-91.5-166.5179.6169.25.8114E1314 E1387E1314-R1316 PolarHBondContact O-N 2.69Å; E1314-R1316 VanDerWaalsContact O-N 3.1Å; R1316-E1387 PolarHBondContact NH1-O 3.1Å
1317F39.1Very low45.3Very low126 Ų12689.3 Ų89.355%0.55347%0.466SS*.G310 helixtrans-101.50.4-172.5-73.2-81.3000115.6E1314 N1315 V1319E1314-F1317 PolarHBondContact O-N 2.81Å; E1314-F1317 VanDerWaalsContact O-N 3.16Å; N1315-F1317 PolarHBondContact O-N 3.24Å; F1317-V1319 PolarHBondContact O-N 2.79Å
1318N32.8Very low43.7Very low143 Ų14391.9 Ų91.977%0.76548%0.483SS*.  trans-78.257.8172-82.6-9.2000111.5S1320N1318-S1320 PolarHBondContact O-N 3.08Å
1319V30.7Very low42Very low119 Ų11998.3 Ų98.372%0.72152%0.519SS*.  trans-86.396.6159.2-178.80000105.7F1317 I1321F1317-V1319 PolarHBondContact O-N 2.79Å; V1319-I1321 PolarHBondContact O-N 3.33Å
1320S31Very low40.2Very low97 Ų97107.7 Ų107.768%0.67856%0.556SS**  trans-59.5107.2174.253.10000109.1N1318 N1322N1318-S1320 PolarHBondContact O-N 3.08Å; S1320-N1322 VanDerWaalsContact C-N 3.26Å; S1320-N1322 PolarHBondContact O-N 2.87Å
1321I31.3Very low38.5Very low135 Ų135112.5 Ų112.569%0.69258%0.584SS**  trans-67.486.3173.1-57169.7000107.4V1319 N1323V1319-I1321 PolarHBondContact O-N 3.33Å; I1321-N1323 VanDerWaalsContact C-N 3.33Å; I1321-N1323 VanDerWaalsContact CG2-OD1 3.28Å; I1321-N1323 WeakPolarHBondContact CG2-OD1 3.34Å; I1321-N1323 PolarHBondContact O-N 3.47Å
1322N30.2Very low36.6Very low152 Ų152122.7 Ų122.781%0.81363%0.629SS**  trans-73.793168-97.8-9.8000107.9S1320 N1324S1320-N1322 VanDerWaalsContact C-N 3.26Å; S1320-N1322 PolarHBondContact O-N 2.87Å; N1322-N1324 PolarHBondContact O-N 3.22Å
1323N31.9Very low35.1Very low133 Ų133126.9 Ų126.971%0.71166%0.657SS**  trans-71.523.1-172.6-105.2-14.8000115.8I1321I1321-N1323 VanDerWaalsContact C-N 3.33Å; I1321-N1323 VanDerWaalsContact CG2-OD1 3.28Å; I1321-N1323 WeakPolarHBondContact CG2-OD1 3.34Å; I1321-N1323 PolarHBondContact O-N 3.47Å
1324N31.5Very low33.7Very low146 Ų146129.3 Ų129.378%0.78168%0.684SS**  trans-120.869.2-175.9-68.9-8.3000111N1322N1322-N1324 PolarHBondContact O-N 3.22Å
1325N30.5Very low32.7Very low136 Ų136135 Ų13573%0.72772%0.715SS**  trans173106.1143.5-91.1-14000109.2E1327N1325-E1327 PolarHBondContact O-N 2.89Å
1326P37.1Very low31.8Very low136 Ų136142 Ų14288%0.88374%0.737SS**THydrogen-bonded Turntrans-81.920.2-176.833-33.3000114.4
1327E31.3Very low31.7Very low190 Ų190141 Ų14189%0.88875%0.746SS**THydrogen-bonded Turntrans-131.917.2-174.6-72.8-167.4165.400116.4N1325N1325-E1327 PolarHBondContact O-N 2.89Å
1328S29.2Very low32Very low55 Ų55140 Ų14039%0.38575%0.746SS.*  trans-111.7106.2165.857.30000110.6Y1330S1328-Y1330 WeakPolarHBondContact O-CD2 3.18Å; S1328-Y1330 PolarHBondContact O-N 2.94Å; S1328-Y1330 WeakPolarHBondContact OG-CE2 3.34Å
1329N28.9Very low33.1Very low164 Ų164139.5 Ų139.588%0.87774%0.737SS**  trans-49.699.7162.3-83.7-15.8000108.8D1331N1329-D1331 PolarHBondContact O-N 3.39Å
1330Y28.9Very low34.6Very low197 Ų197137 Ų13777%0.77371%0.714SS**  trans-82.794.6168.1-77.6-78.4000107.3S1328 F1332S1328-Y1330 WeakPolarHBondContact O-CD2 3.18Å; S1328-Y1330 PolarHBondContact O-N 2.94Å; S1328-Y1330 WeakPolarHBondContact OG-CE2 3.34Å; Y1330-F1332 PolarHBondContact O-N 2.95Å
1331D27.6Very low36.8Very low141 Ų141134.7 Ų134.775%0.75470%0.695SS**  trans-58.9123.1162.5-85.2-36.1000108.5N1329 D1333N1329-D1331 PolarHBondContact O-N 3.39Å; D1331-D1333 PolarHBondContact O-N 2.7Å
1332F27.7Very low39Very low213 Ų213128.3 Ų128.393%0.93466%0.662SS**  trans-67.776.1171.2-90.7-96.6000109.2Y1330 G1334Y1330-F1332 PolarHBondContact O-N 2.95Å; F1332-G1334 PolarHBondContact O-N 2.81Å
1333D28.5Very low41.2Very low159 Ų159123.6 Ų123.685%0.8564%0.637SS**  trans-70.198.3167.4-94-19.2000108.9D1331 N1335D1331-D1333 PolarHBondContact O-N 2.7Å; D1333-N1335 PolarHBondContact O-N 3.31Å
1334G32.6Very low43.2Very low60 Ų60120.2 Ų120.262%0.61962%0.618SS**  trans-62.8129.317000000110.8F1332F1332-G1334 PolarHBondContact O-N 2.81Å
1335N30.8Very low45.5Very low149 Ų149113.7 Ų113.780%0.79758%0.583SS**  trans162.358.9141.7-86-29000113.4D1333D1333-N1335 PolarHBondContact O-N 3.31Å
1336Y32.2Very low47.7Very low224 Ų224111.1 Ų111.188%0.87857%0.567SS**  trans-146.368.5154.5-70.6-72000110.9I1338Y1336-I1338 VanDerWaalsContact C-N 3.3Å; Y1336-I1338 PolarHBondContact O-N 3.27Å
1337S41.1Very low49.7Very low85 Ų85105.4 Ų105.459%0.59453%0.53SS*.  trans-71.791.2161.253.60000108K1339S1337-K1339 VanDerWaalsContact C-N 3.35Å; S1337-K1339 PolarHBondContact O-N 3.5Å
1338I47Very low52Low107 Ų10799.4 Ų99.455%0.54950%0.503SS..  trans-62.6100.3171.6-58171.2000106.2Y1336 R1340Y1336-I1338 VanDerWaalsContact C-N 3.3Å; Y1336-I1338 PolarHBondContact O-N 3.27Å; I1338-R1340 HydrophobicContact CG2-CG 3.99Å; I1338-R1340 PolarHBondContact O-N 3.21Å
1339K55.5Low54.6Low132 Ų13298 Ų9857%0.57449%0.491SS*.  trans-65.3115.6172.5-75.6-160.7-177-146.30107.5S1337 E1387S1337-K1339 VanDerWaalsContact C-N 3.35Å; S1337-K1339 PolarHBondContact O-N 3.5Å; K1339-E1387 IonicContact NZ-OE1 2.77Å; K1339-E1387 PolarHBondContact NZ-OE1 3.49Å
1340R62.7Low57.1Low65 Ų6594.3 Ų94.325%0.24547%0.468CS..EExtended strand (participates in β ladder)trans-108.5140.7177.1-61.9-160.1174.7159.9-3.3110.1D1313 N1315 I1338 V1386 V1462 D1463D1313-R1340 IonicContact OD1-NH1 2.79Å; N1315-R1340 VanDerWaalsContact CG-NH1 3.32Å; N1315-R1340 PolarHBondContact ND2-NH1 2.86Å; I1338-R1340 HydrophobicContact CG2-CG 3.99Å; I1338-R1340 PolarHBondContact O-N 3.21Å; R1340-V1386 PolarHBondContact O-N 3.19Å; R1340-V1462 HydrophobicContact CB-CG1 3.48Å; R1340-V1462 VanDerWaalsContact CB-CG1 3.48Å; R1340-D1463 WeakPolarHBondContact CA-OD2 3.22Å; R1340-D1463 WeakPolarHBondContact CB-OD2 3.39Å; R1340-D1463 WeakPolarHBondContact CG-OD2 3.25Å
1341N76.7Confident59.6Low49 Ų4986.2 Ų86.226%0.26244%0.44SS..EExtended strand (participates in β ladder)trans-111.1131.2-173-61.1-34.3000111.1N1343 P1383 L1384 P1385 V1462 D1463N1341-N1343 VanDerWaalsContact CB-OD1 3.27Å; N1341-N1343 WeakPolarHBondContact CB-OD1 3.37Å; N1341-N1343 PolarHBondContact O-N 3.49Å; N1341-N1343 PolarHBondContact O-OD1 3.23Å; N1341-N1343 VanDerWaalsContact O-OD1 3.11Å; N1341-P1383 HydrophobicContact CB-CB 3.91Å; N1341-L1384 CarbonylContact C-O 3.54Å; N1341-L1384 WeakPolarHBondContact CA-O 3.24Å; N1341-P1385 WeakPolarHBondContact OD1-CA 3.49Å; N1341-V1462 CarbonylContact O-C 3.52Å; N1341-V1462 WeakPolarHBondContact O-CA 3.29Å; N1341-D1463 PolarHBondContact N-OD1 3.38Å; N1341-D1463 PolarHBondContact O-N 2.87Å
1342L76.2Confident62.2Low1 Ų180.4 Ų80.41%0.00541%0.41CS..EExtended strand (participates in β ladder)trans-65112165.6-176.668.5000108.3I1311 F1382 P1383 L1384 V1386 V1414 Y1460 V1462I1311-L1342 HydrophobicContact CD1-CD1 4.09Å; I1311-L1342 HydrophobicContact CD1-CD2 3.54Å; I1311-L1342 HydrophobicContact CG2-CD1 4.3Å; L1342-F1382 HydrophobicContact CB-CE1 4.22Å; L1342-F1382 HydrophobicContact CD2-CE1 3.56Å; L1342-F1382 HydrophobicContact CD2-CZ 4.15Å; L1342-F1382 HydrophobicContact CG-CD1 4.37Å; L1342-F1382 HydrophobicContact CG-CE1 3.61Å; L1342-F1382 HydrophobicContact CG-CZ 4.38Å; L1342-F1382 WeakPolarHBondContact O-CD1 3.33Å; L1342-P1383 WeakPolarHBondContact O-CA 3.21Å; L1342-L1384 HydrophobicContact CB-CB 4.15Å; L1342-L1384 WeakPolarHBondContact CB-O 3.42Å; L1342-L1384 PolarHBondContact N-O 2.9Å; L1342-L1384 PolarHBondContact O-N 3.38Å; L1342-V1386 HydrophobicContact CB-CG2 3.87Å; L1342-V1414 HydrophobicContact CD2-CG1 4.15Å; L1342-V1414 HydrophobicContact CD2-CG2 4.15Å; L1342-Y1460 HydrophobicContact CD1-CD2 4.09Å; L1342-V1462 HydrophobicContact CD1-CG2 4.11Å
1343N77.5Confident64.4Low54 Ų5475 Ų7529%0.28940%0.398SS..EExtended strand (participates in β ladder)trans-113.3-15.8-174.3-63.7-12.6000112.6N1341 P1383 A1461N1341-N1343 VanDerWaalsContact CB-OD1 3.27Å; N1341-N1343 WeakPolarHBondContact CB-OD1 3.37Å; N1341-N1343 PolarHBondContact O-N 3.49Å; N1341-N1343 PolarHBondContact O-OD1 3.23Å; N1341-N1343 VanDerWaalsContact O-OD1 3.11Å; N1343-P1383 WeakPolarHBondContact OD1-CB 3.5Å; N1343-A1461 PolarHBondContact N-O 3.31Å; N1343-A1461 VanDerWaalsContact N-O 3.08Å
1344L74.4Confident66.5Low62 Ų6270.6 Ų70.633%0.32538%0.38SS..EExtended strand (participates in β ladder)trans-132.4121.5-176.9-143.2162000107.9H1346 Y1460 A1461 A1464L1344-H1346 HydrophobicContact CD2-CB 4.42Å; L1344-Y1460 CarbonylContact O-C 3.5Å; L1344-Y1460 WeakPolarHBondContact O-CA 3.43Å; L1344-A1461 HydrophobicContact CB-CB 3.86Å; L1344-A1461 PolarHBondContact N-O 2.89Å; L1344-A1461 PolarHBondContact O-N 3.46Å; L1344-A1464 HydrophobicContact CD1-CB 4.33Å
1345L78.6Confident68.7Low8 Ų868 Ų684%0.04235%0.352CS..EExtended strand (participates in β ladder)trans-142.8113.7167.5-179.671.9000108.5L1309 I1311 I1378 F1382 V1414 I1458 E1459L1309-L1345 HydrophobicContact CD2-CD1 4.08Å; L1309-L1345 HydrophobicContact CD2-CD2 4.03Å; I1311-L1345 HydrophobicContact CD1-CD1 4.24Å; L1345-I1378 HydrophobicContact CD2-CG2 3.54Å; L1345-F1382 HydrophobicContact CB-CE1 4.26Å; L1345-F1382 HydrophobicContact CB-CE2 3.56Å; L1345-F1382 HydrophobicContact CB-CZ 3.23Å; L1345-F1382 HydrophobicContact CD2-CE2 4.32Å; L1345-F1382 HydrophobicContact CD2-CZ 3.77Å; L1345-F1382 HydrophobicContact CG-CZ 4.13Å; L1345-V1414 HydrophobicContact CD2-CG1 4.41Å; L1345-I1458 HydrophobicContact CD1-CG2 3.82Å; L1345-E1459 CarbonylContact C-O 3.54Å; L1345-E1459 VanDerWaalsContact CA-O 3.28Å; L1345-E1459 WeakPolarHBondContact CA-O 3.34Å
1346H77.2Confident71Confident82 Ų8264.8 Ų64.838%0.3833%0.334SS..EExtended strand (participates in β ladder)trans-124.1129.5179.6-173.9-117.8000108.7L1344 R1379 I1458 E1459L1344-H1346 HydrophobicContact CD2-CB 4.42Å; H1346-R1379 PolarHBondContact CD2-NH2 3.36Å; H1346-I1458 CarbonylContact O-C 3.51Å; H1346-I1458 WeakPolarHBondContact O-CA 3.37Å; H1346-E1459 HydrophobicContact CB-CB 4.22Å; H1346-E1459 PolarHBondContact N-O 2.84Å; H1346-E1459 PolarHBondContact O-N 2.95Å
1347V79.1Confident73.1Confident17 Ų1757.3 Ų57.310%0.10332%0.315CS..EExtended strand (participates in β ladder)trans-124127.4179.81770000107.1L1375 I1417 L1456 E1457 I1458V1347-L1375 HydrophobicContact CB-CD1 3.59Å; V1347-L1375 HydrophobicContact CB-CD2 4.11Å; V1347-L1375 HydrophobicContact CG1-CD1 4.38Å; V1347-L1375 HydrophobicContact CG2-CD1 3.37Å; V1347-I1417 HydrophobicContact CG2-CD1 4.43Å; V1347-L1456 HydrophobicContact CG1-CD1 3.43Å; V1347-L1456 VanDerWaalsContact CG1-CD1 3.43Å; V1347-L1456 HydrophobicContact CG1-CG 4.09Å; V1347-E1457 CarbonylContact C-O 3.53Å; V1347-E1457 VanDerWaalsContact CA-O 3.27Å; V1347-E1457 WeakPolarHBondContact CA-O 3.41Å; V1347-I1458 HydrophobicContact CG1-CG1 4.37Å; V1347-I1458 HydrophobicContact CG2-CB 4.43Å; V1347-I1458 HydrophobicContact CG2-CG1 4.07Å; V1347-I1458 HydrophobicContact CG2-CG2 4.1Å
1348N80.6Confident74.6Confident63 Ų6354.3 Ų54.334%0.33729%0.292SS..EExtended strand (participates in β ladder)trans-132142.3-174.9-163.811.2000110.5L1456 E1457N1348-L1456 CarbonylContact O-C 3.52Å; N1348-L1456 WeakPolarHBondContact O-CA 3.26Å; N1348-E1457 HydrophobicContact CB-CB 4.46Å; N1348-E1457 PolarHBondContact N-O 2.88Å; N1348-E1457 PolarHBondContact O-N 3.4Å
1349L82.8Confident76.2Confident25 Ų2549.3 Ų49.313%0.13127%0.266CS..EExtended strand (participates in β ladder)trans-105.2121.9173.8-74.9170.3000108.6V1370 C1372 I1454 E1455 L1456L1349-V1370 HydrophobicContact CD1-CB 4.14Å; L1349-V1370 HydrophobicContact CD1-CG1 4.1Å; L1349-V1370 WeakPolarHBondContact CD1-O 3.48Å; L1349-V1370 HydrophobicContact CD2-CG1 4.28Å; L1349-C1372 WeakPolarHBondContact CD1-SG 3.42Å; L1349-I1454 HydrophobicContact CD2-CG2 4.06Å; L1349-E1455 CarbonylContact C-O 3.54Å; L1349-E1455 WeakPolarHBondContact CA-O 3.25Å; L1349-L1456 HydrophobicContact CD2-CB 4.08Å; L1349-L1456 HydrophobicContact CD2-CD1 3.51Å; L1349-L1456 HydrophobicContact CD2-CG 4.44Å; L1349-L1456 HydrophobicContact CG-CD1 4.03Å
1350K81.2Confident77.4Confident88 Ų8846.9 Ų46.938%0.38326%0.263SS..EExtended strand (participates in β ladder)trans-122.8135.8177.2-68.8-177.1-178.7166.30110E1455 E1457K1350-E1455 PolarHBondContact N-O 3.41Å; K1350-E1455 PolarHBondContact O-N 3.2Å; K1350-E1457 WeakPolarHBondContact CD-OE1 3.42Å; K1350-E1457 WeakPolarHBondContact CE-OE2 3.33Å; K1350-E1457 IonicContact NZ-OE1 2.74Å; K1350-E1457 PolarHBondContact NZ-OE1 3.16Å; K1350-E1457 IonicContact NZ-OE2 3.51Å; K1350-E1457 PolarHBondContact NZ-OE2 3.35Å
1351S82.6Confident78Confident27 Ų2750.1 Ų50.119%0.18928%0.279CS..EExtended strand (participates in β ladder)trans-76.3138.9166.743.30000109.8L1356S1351-L1356 VanDerWaalsContact OG-CD1 3.27Å; S1351-L1356 WeakPolarHBondContact OG-CD1 3.25Å
1352V81Confident77.8Confident19 Ų1948 Ų4812%0.11527%0.267CS..  trans-66146.8171.8-178.40000108.6W1285 S1354 S1355 L1356 Y1453W1285-V1352 HydrophobicContact CE3-CG2 3.96Å; W1285-V1352 HydrophobicContact CH2-CG2 4.38Å; W1285-V1352 HydrophobicContact CZ3-CG2 3.7Å; V1352-S1354 PolarHBondContact O-N 2.99Å; V1352-S1354 VanDerWaalsContact O-N 3.07Å; V1352-S1355 PolarHBondContact O-N 3.35Å; V1352-L1356 PolarHBondContact O-N 2.84Å; V1352-Y1453 PolarHBondContact N-O 3.32Å
1353S74.5Confident78.1Confident99 Ų9954 Ų5469%0.69230%0.299SS*.Hα-helixtrans-50.7-36.4-174.852.70000114L1356 S1357S1353-L1356 PolarHBondContact O-N 2.9Å; S1353-S1357 PolarHBondContact O-N 3.41Å
1354S71.4Confident78.4Confident66 Ų6651.6 Ų51.646%0.46229%0.287SS..Hα-helixtrans-60.3-46.1175.257.70000112.3V1352 S1357V1352-S1354 PolarHBondContact O-N 2.99Å; V1352-S1354 VanDerWaalsContact O-N 3.07Å; S1354-S1357 PolarHBondContact O-OG 3.29Å
1355S80Confident78.9Confident7 Ų753.2 Ų53.25%0.04930%0.296CS..Hα-helixtrans-79.9-29.9179.6-59.80000113V1352 S1357 L1358 L1359 Y1453V1352-S1355 PolarHBondContact O-N 3.35Å; S1355-S1357 PolarHBondContact O-N 2.88Å; S1355-L1358 PolarHBondContact O-N 2.84Å; S1355-L1358 VanDerWaalsContact O-N 3.12Å; S1355-L1359 WeakPolarHBondContact O-CB 3.07Å; S1355-L1359 VanDerWaalsContact O-CG 3.26Å; S1355-L1359 WeakPolarHBondContact O-CG 3.28Å; S1355-L1359 PolarHBondContact O-N 2.77Å; S1355-Y1453 PolarHBondContact OG-N 3.04Å
1356L79.5Confident78.9Confident80 Ų8053.2 Ų53.242%0.41930%0.297SS..Hα-helixtrans-57.8-37.3177.2-177.366.8000111.7S1351 V1352 S1353 L1358 L1359 T1360S1351-L1356 VanDerWaalsContact OG-CD1 3.27Å; S1351-L1356 WeakPolarHBondContact OG-CD1 3.25Å; V1352-L1356 PolarHBondContact O-N 2.84Å; S1353-L1356 PolarHBondContact O-N 2.9Å; L1356-L1358 PolarHBondContact O-N 2.83Å; L1356-L1359 PolarHBondContact O-N 2.78Å; L1356-T1360 HydrophobicContact CD1-CG2 3.97Å; L1356-T1360 HydrophobicContact CG-CG2 4.2Å; L1356-T1360 WeakPolarHBondContact O-CB 3.43Å; L1356-T1360 VanDerWaalsContact O-CG2 3.23Å; L1356-T1360 WeakPolarHBondContact O-CG2 3.23Å; L1356-T1360 PolarHBondContact O-N 3.31Å; L1356-T1360 PolarHBondContact O-OG1 3.46Å
1357S74.6Confident79.1Confident68 Ų6852.9 Ų52.948%0.47630%0.3SS..Hα-helixtrans-64-38.4176.872.90000113.3S1353 S1354 S1355 T1360 K1361S1353-S1357 PolarHBondContact O-N 3.41Å; S1354-S1357 PolarHBondContact O-OG 3.29Å; S1355-S1357 PolarHBondContact O-N 2.88Å; S1357-T1360 PolarHBondContact O-OG1 3.34Å; S1357-T1360 VanDerWaalsContact O-OG1 3.11Å; S1357-K1361 WeakPolarHBondContact O-CG 3.32Å; S1357-K1361 PolarHBondContact O-N 3.34Å
1358L73.9Confident79.3Confident22 Ų2253.5 Ų53.512%0.11530%0.303CS..Hα-helixtrans-73.1-44.2176.8-179.7146.1000111S1355 L1356 K1361 L1362 L1443S1355-L1358 PolarHBondContact O-N 2.84Å; S1355-L1358 VanDerWaalsContact O-N 3.12Å; L1356-L1358 PolarHBondContact O-N 2.83Å; L1358-K1361 PolarHBondContact O-N 3.14Å; L1358-L1362 HydrophobicContact CD2-CD1 3.85Å; L1358-L1362 PolarHBondContact O-N 3.11Å; L1358-L1362 VanDerWaalsContact O-N 3.13Å; L1358-L1443 HydrophobicContact CD1-CD2 3.85Å; L1358-L1443 HydrophobicContact CG-CD2 4.04Å
1359L79.6Confident79.3Confident1 Ų150.9 Ų50.91%0.00529%0.289CS..Hα-helixtrans-64-43.9-180-70.8-178000112.2S1355 L1356 K1361 L1362 N1363 L1364 F1369 I1452S1355-L1359 WeakPolarHBondContact O-CB 3.07Å; S1355-L1359 VanDerWaalsContact O-CG 3.26Å; S1355-L1359 WeakPolarHBondContact O-CG 3.28Å; S1355-L1359 PolarHBondContact O-N 2.77Å; L1356-L1359 PolarHBondContact O-N 2.78Å; L1359-K1361 VanDerWaalsContact C-N 3.34Å; L1359-K1361 PolarHBondContact O-N 3.1Å; L1359-L1362 CarbonylContact O-C 3.58Å; L1359-L1362 PolarHBondContact O-N 2.74Å; L1359-N1363 PolarHBondContact O-N 3.3Å; L1359-L1364 CarbonylContact C-O 3.54Å; L1359-L1364 WeakPolarHBondContact CB-O 3.35Å; L1359-L1364 HydrophobicContact CD2-CB 4.11Å; L1359-L1364 PolarHBondContact O-N 3.48Å; L1359-F1369 HydrophobicContact CD2-CD2 4.06Å; L1359-F1369 HydrophobicContact CD2-CE2 3.25Å; L1359-F1369 HydrophobicContact CD2-CZ 3.85Å; L1359-I1452 HydrophobicContact CD1-CG2 4.39Å; L1359-I1452 HydrophobicContact CD2-CD1 4.49Å
1360T81Confident79.1Confident81 Ų8149.7 Ų49.750%0.49728%0.283SS..Hα-helixtrans-63.5-36.5176.648.70000112.7L1356 S1357 N1363L1356-T1360 HydrophobicContact CD1-CG2 3.97Å; L1356-T1360 HydrophobicContact CG-CG2 4.2Å; L1356-T1360 WeakPolarHBondContact O-CB 3.43Å; L1356-T1360 VanDerWaalsContact O-CG2 3.23Å; L1356-T1360 WeakPolarHBondContact O-CG2 3.23Å; L1356-T1360 PolarHBondContact O-N 3.31Å; L1356-T1360 PolarHBondContact O-OG1 3.46Å; S1357-T1360 PolarHBondContact O-OG1 3.34Å; S1357-T1360 VanDerWaalsContact O-OG1 3.11Å; T1360-N1363 PolarHBondContact O-N 3.42Å
1361K74.5Confident79.1Confident134 Ų13449.2 Ų49.258%0.58328%0.282SS*.Hα-helixtrans-64.6-40173.4-75.4-179.8178.5-168.40112.7S1357 L1358 L1359 N1363 L1443S1357-K1361 WeakPolarHBondContact O-CG 3.32Å; S1357-K1361 PolarHBondContact O-N 3.34Å; L1358-K1361 PolarHBondContact O-N 3.14Å; L1359-K1361 VanDerWaalsContact C-N 3.34Å; L1359-K1361 PolarHBondContact O-N 3.1Å; K1361-N1363 PolarHBondContact O-N 3.2Å; K1361-L1443 HydrophobicContact CD-CD1 4.41Å
1362L74.2Confident78.7Confident4 Ų449.9 Ų49.92%0.02129%0.286CS..Hα-helixtrans-79.4-2.2175.6-64.9175.6000113.3L1358 L1359 L1364 Y1426 I1440L1358-L1362 HydrophobicContact CD2-CD1 3.85Å; L1358-L1362 PolarHBondContact O-N 3.11Å; L1358-L1362 VanDerWaalsContact O-N 3.13Å; L1359-L1362 CarbonylContact O-C 3.58Å; L1359-L1362 PolarHBondContact O-N 2.74Å; L1362-L1364 VanDerWaalsContact C-N 3.27Å; L1362-L1364 HydrophobicContact CB-CD1 3.98Å; L1362-L1364 HydrophobicContact CB-CG 4.21Å; L1362-L1364 HydrophobicContact CD1-CD1 4.43Å; L1362-L1364 PolarHBondContact O-N 2.74Å; L1362-Y1426 HydrophobicContact CD1-CD2 3.79Å; L1362-Y1426 HydrophobicContact CD1-CE2 3.43Å; L1362-Y1426 VanDerWaalsContact CD1-CE2 3.43Å; L1362-I1440 HydrophobicContact CD2-CD1 4.15Å; L1362-I1440 HydrophobicContact CD2-CG1 4.32Å
1363N82Confident78.3Confident126 Ų12652.4 Ų52.467%0.67430%0.298SS*.THydrogen-bonded Turntrans56.739.4-173.7-157.832.9000113L1359 T1360 K1361L1359-N1363 PolarHBondContact O-N 3.3Å; T1360-N1363 PolarHBondContact O-N 3.42Å; K1361-N1363 PolarHBondContact O-N 3.2Å
1364L83.2Confident78.2Confident5 Ų548.6 Ų48.63%0.02627%0.274CS..  trans-115.5154.6178-70.5171.5000110.6L1359 L1362 D1368 F1369 K1425 Y1426 I1429L1359-L1364 CarbonylContact C-O 3.54Å; L1359-L1364 WeakPolarHBondContact CB-O 3.35Å; L1359-L1364 HydrophobicContact CD2-CB 4.11Å; L1359-L1364 PolarHBondContact O-N 3.48Å; L1362-L1364 VanDerWaalsContact C-N 3.27Å; L1362-L1364 HydrophobicContact CB-CD1 3.98Å; L1362-L1364 HydrophobicContact CB-CG 4.21Å; L1362-L1364 HydrophobicContact CD1-CD1 4.43Å; L1362-L1364 PolarHBondContact O-N 2.74Å; L1364-D1368 HydrophobicContact CD2-CB 4.11Å; L1364-F1369 HydrophobicContact CB-CE2 4.11Å; L1364-F1369 HydrophobicContact CD1-CE2 4.02Å; L1364-F1369 HydrophobicContact CD1-CZ 3.85Å; L1364-K1425 HydrophobicContact CD2-CB 4.11Å; L1364-Y1426 HydrophobicContact CD1-CD2 4.03Å; L1364-I1429 HydrophobicContact CD1-CD1 4.2Å; L1364-I1429 HydrophobicContact CD2-CD1 3.51Å; L1364-I1429 HydrophobicContact CG-CD1 3.77Å
1365N84.3Confident78.3Confident96 Ų9646.5 Ų46.551%0.51326%0.258SS..  trans-117.8163.2175.3-70.2-21.2000111.3T1367 D1368N1365-T1367 PolarHBondContact O-N 2.75Å; N1365-T1367 VanDerWaalsContact O-N 3.15Å; N1365-D1368 PolarHBondContact N-OD2 2.92Å; N1365-D1368 WeakPolarHBondContact O-CB 3.28Å; N1365-D1368 PolarHBondContact O-N 2.82Å
1366A79.9Confident78Confident8 Ų853 Ų537%0.06629%0.287CS..Hα-helixtrans-56.7-31.7176.200000112.9D1368 F1369 V1370 I1454A1366-D1368 PolarHBondContact O-N 2.69Å; A1366-F1369 PolarHBondContact O-N 3.1Å; A1366-V1370 PolarHBondContact O-N 3.17Å; A1366-I1454 HydrophobicContact CB-CD1 4.32Å; A1366-I1454 HydrophobicContact CB-CG1 4.48Å; A1366-I1454 HydrophobicContact CB-CG2 4.21Å
1367T81.8Confident77.7Confident74 Ų7453.2 Ų53.245%0.45429%0.289SS..Hα-helixtrans-70-17.8177.653.40000114.3N1365 F1369 V1370 Q1371N1365-T1367 PolarHBondContact O-N 2.75Å; N1365-T1367 VanDerWaalsContact O-N 3.15Å; T1367-F1369 VanDerWaalsContact C-N 3.3Å; T1367-V1370 WeakPolarHBondContact CA-O 3.37Å; T1367-Q1371 WeakPolarHBondContact O-CG 3.33Å
1368D83Confident77.4Confident31 Ų3150.2 Ų50.217%0.16627%0.268CS..Hα-helixtrans-74.6-27.7174.4-65.4-46.6000111.4L1364 N1365 A1366 K1425L1364-D1368 HydrophobicContact CD2-CB 4.11Å; N1365-D1368 PolarHBondContact N-OD2 2.92Å; N1365-D1368 WeakPolarHBondContact O-CB 3.28Å; N1365-D1368 PolarHBondContact O-N 2.82Å; A1366-D1368 PolarHBondContact O-N 2.69Å; D1368-K1425 HydrophobicContact CB-CD 3.8Å; D1368-K1425 IonicContact OD1-NZ 3.57Å; D1368-K1425 PolarHBondContact OD1-NZ 2.8Å
1369F79.2Confident77.4Confident7 Ų754.4 Ų54.43%0.03128%0.282CS..Hα-helixtrans-92.7-38.1175.8-65.1-88.2000112.6L1359 L1364 A1366 T1367 F1421 D1422 Y1426 I1452 I1454 L1500L1359-F1369 HydrophobicContact CD2-CD2 4.06Å; L1359-F1369 HydrophobicContact CD2-CE2 3.25Å; L1359-F1369 HydrophobicContact CD2-CZ 3.85Å; L1364-F1369 HydrophobicContact CB-CE2 4.11Å; L1364-F1369 HydrophobicContact CD1-CE2 4.02Å; L1364-F1369 HydrophobicContact CD1-CZ 3.85Å; A1366-F1369 PolarHBondContact O-N 3.1Å; T1367-F1369 VanDerWaalsContact C-N 3.3Å; F1369-F1421 CarbonylContact O-C 3.57Å; F1369-F1421 WeakPolarHBondContact O-CA 2.85Å; F1369-D1422 PolarHBondContact O-N 3.35Å; F1369-Y1426 HydrophobicContact CE1-CD2 4.13Å; F1369-Y1426 HydrophobicContact CE1-CG 4.03Å; F1369-Y1426 AromaticContact CZ-CD2 3.78Å; F1369-Y1426 HydrophobicContact CZ-CD2 3.78Å; F1369-Y1426 HydrophobicContact CZ-CG 4.08Å; F1369-I1452 HydrophobicContact CD1-CD1 4.04Å; F1369-I1452 HydrophobicContact CE1-CD1 3.5Å; F1369-I1452 VanDerWaalsContact CE1-CD1 3.5Å; F1369-I1452 HydrophobicContact CE2-CD1 4.24Å; F1369-I1452 HydrophobicContact CZ-CD1 3.6Å; F1369-I1454 HydrophobicContact CB-CD1 4.09Å; F1369-L1500 HydrophobicContact CE1-CD1 3.9Å
1370V80Confident77.2Confident0 Ų061.5 Ų61.50%031%0.313CS..EExtended strand (participates in β ladder)trans-130.5122.2-173.5-170.60000111L1349 A1366 T1367 L1419 K1420 F1421 I1454 L1498L1349-V1370 HydrophobicContact CD1-CB 4.14Å; L1349-V1370 HydrophobicContact CD1-CG1 4.1Å; L1349-V1370 WeakPolarHBondContact CD1-O 3.48Å; L1349-V1370 HydrophobicContact CD2-CG1 4.28Å; A1366-V1370 PolarHBondContact O-N 3.17Å; T1367-V1370 WeakPolarHBondContact CA-O 3.37Å; V1370-L1419 HydrophobicContact CG1-CB 4.34Å; V1370-L1419 HydrophobicContact CG1-CD2 4.39Å; V1370-K1420 CarbonylContact C-O 3.48Å; V1370-K1420 VanDerWaalsContact CA-O 3.27Å; V1370-K1420 WeakPolarHBondContact CA-O 3.08Å; V1370-F1421 HydrophobicContact CB-CD1 4.43Å; V1370-F1421 HydrophobicContact CB-CE1 4.38Å; V1370-F1421 HydrophobicContact CG1-CD1 4.3Å; V1370-F1421 HydrophobicContact CG1-CE1 3.96Å; V1370-F1421 HydrophobicContact CG1-CZ 4.26Å; V1370-F1421 HydrophobicContact CG2-CD1 3.46Å; V1370-F1421 VanDerWaalsContact CG2-CD1 3.46Å; V1370-F1421 HydrophobicContact CG2-CE1 3.48Å; V1370-F1421 VanDerWaalsContact CG2-CE1 3.48Å; V1370-F1421 HydrophobicContact CG2-CG 4.48Å; V1370-I1454 HydrophobicContact CG2-CD1 3.63Å; V1370-L1498 HydrophobicContact CG2-CD1 3.94Å
1371Q81.2Confident76.8Confident78 Ų7864.5 Ų64.536%0.36432%0.315SS..EExtended strand (participates in β ladder)trans-114126.9175.6-61.6177.8-7.500110.7T1367 L1419 K1420T1367-Q1371 WeakPolarHBondContact O-CG 3.33Å; Q1371-L1419 CarbonylContact O-C 3.58Å; Q1371-L1419 WeakPolarHBondContact O-CA 3.4Å; Q1371-K1420 HydrophobicContact CB-CB 4.3Å; Q1371-K1420 PolarHBondContact N-O 2.84Å; Q1371-K1420 PolarHBondContact O-N 2.85Å
1372C73.5Confident76.7Confident41 Ų4160.4 Ų60.428%0.27730%0.297SS..EExtended strand (participates in β ladder)trans-91.3114.9174.4-62.40000110.6L1349 W1418 L1419L1349-C1372 WeakPolarHBondContact CD1-SG 3.42Å; C1372-W1418 CarbonylContact C-O 3.6Å; C1372-W1418 WeakPolarHBondContact CA-O 3.44Å; C1372-L1419 HydrophobicContact CB-CD2 4.08Å; C1372-L1419 WeakPolarHBondContact SG-CD2 3.37Å
1373I73.5Confident76.6Confident72 Ų7264.1 Ų64.137%0.36932%0.322SS..EExtended strand (participates in β ladder)trans-115.7140.7-177.2-64163.2000109.1W1304 W1418 K1420W1304-I1373 HydrophobicContact CH2-CD1 3.46Å; W1304-I1373 VanDerWaalsContact CH2-CD1 3.46Å; W1304-I1373 HydrophobicContact CZ3-CD1 3.47Å; W1304-I1373 VanDerWaalsContact CZ3-CD1 3.47Å; I1373-W1418 HydrophobicContact CB-CB 4.33Å; I1373-W1418 PolarHBondContact N-O 2.75Å; I1373-W1418 PolarHBondContact O-N 2.74Å; I1373-K1420 HydrophobicContact CD1-CB 4.45Å
1374G71Confident76.2Confident19 Ų1959.5 Ų59.520%0.19630%0.297CS..SBendtrans99.7-8-179.600000115.8E1376 D1377 I1378G1374-E1376 VanDerWaalsContact C-N 3.26Å; G1374-E1376 PolarHBondContact O-N 2.97Å; G1374-D1377 PolarHBondContact O-N 2.7Å; G1374-I1378 PolarHBondContact O-N 2.78Å
1375L73.9Confident75.7Confident22 Ų2262 Ų6212%0.11531%0.313CS..Hα-helixtrans-62.1-33.4177.8-159.384.3000112.8V1347 D1377 I1378 R1379 I1417V1347-L1375 HydrophobicContact CB-CD1 3.59Å; V1347-L1375 HydrophobicContact CB-CD2 4.11Å; V1347-L1375 HydrophobicContact CG1-CD1 4.38Å; V1347-L1375 HydrophobicContact CG2-CD1 3.37Å; L1375-D1377 VanDerWaalsContact C-N 3.29Å; L1375-D1377 PolarHBondContact O-N 3.37Å; L1375-I1378 PolarHBondContact O-N 3.46Å; L1375-R1379 WeakPolarHBondContact O-CG 3.35Å; L1375-R1379 PolarHBondContact O-N 2.81Å; L1375-I1417 HydrophobicContact CD1-CD1 3.88Å; L1375-I1417 HydrophobicContact CD1-CG1 4.47Å
1376E73.9Confident75Confident143 Ų14357.6 Ų57.667%0.66829%0.29SS*.Hα-helixtrans-62.3-37.1177.8-68.5-176176.300112G1374 R1379 K1380G1374-E1376 VanDerWaalsContact C-N 3.26Å; G1374-E1376 PolarHBondContact O-N 2.97Å; E1376-R1379 PolarHBondContact O-N 3.16Å; E1376-K1380 VanDerWaalsContact O-CG 3.3Å; E1376-K1380 WeakPolarHBondContact O-CG 3.28Å; E1376-K1380 PolarHBondContact O-N 3.32Å
1377D72.8Confident74.2Confident86 Ų8660.9 Ų60.946%0.4630%0.304SS..Hα-helixtrans-72.9-33.3-179.1-64-31.6000112.2G1374 L1375 K1380G1374-D1377 PolarHBondContact O-N 2.7Å; L1375-D1377 VanDerWaalsContact C-N 3.29Å; L1375-D1377 PolarHBondContact O-N 3.37Å; D1377-K1380 IonicContact OD1-NZ 3.89Å; D1377-K1380 PolarHBondContact OD1-NZ 2.91Å
1378I69.8Low73.1Confident4 Ų457.9 Ų57.92%0.02129%0.285CS..Hα-helixtrans-67.8-43.9170.3-58.8176.4000110L1345 G1374 L1375 K1380 R1381 F1382 V1414 I1417L1345-I1378 HydrophobicContact CD2-CG2 3.54Å; G1374-I1378 PolarHBondContact O-N 2.78Å; L1375-I1378 PolarHBondContact O-N 3.46Å; I1378-K1380 VanDerWaalsContact C-N 3.31Å; I1378-K1380 PolarHBondContact O-N 3.12Å; I1378-R1381 WeakPolarHBondContact O-CB 3.35Å; I1378-R1381 PolarHBondContact O-N 2.99Å; I1378-F1382 HydrophobicContact CG2-CE2 4.48Å; I1378-F1382 HydrophobicContact CG2-CZ 4.05Å; I1378-V1414 HydrophobicContact CG2-CG1 3.58Å; I1378-I1417 HydrophobicContact CD1-CD1 4.08Å; I1378-I1417 HydrophobicContact CD1-CG1 3.59Å
1379R72.9Confident71.5Confident110 Ų11059.5 Ų59.542%0.41530%0.298SS..Hα-helixtrans-62.3-34.9179.3-77.8-179.7177.3175.55.6113.3H1346 L1375 E1376 R1381 F1382H1346-R1379 PolarHBondContact CD2-NH2 3.36Å; L1375-R1379 WeakPolarHBondContact O-CG 3.35Å; L1375-R1379 PolarHBondContact O-N 2.81Å; E1376-R1379 PolarHBondContact O-N 3.16Å; R1379-R1381 PolarHBondContact O-N 3.07Å; R1379-F1382 HydrophobicContact CB-CD2 4.35Å; R1379-F1382 HydrophobicContact CB-CE2 4.41Å; R1379-F1382 HydrophobicContact CG-CD2 4.33Å; R1379-F1382 HydrophobicContact CG-CE2 4.03Å; R1379-F1382 PolarHBondContact O-N 3.04Å
1380K75.1Confident69.7Low151 Ų15164.5 Ų64.566%0.65732%0.322SS*.THydrogen-bonded Turntrans-61.9-21.8174.9-74.1168.6-163158.80113.1E1376 D1377 I1378E1376-K1380 VanDerWaalsContact O-CG 3.3Å; E1376-K1380 WeakPolarHBondContact O-CG 3.28Å; E1376-K1380 PolarHBondContact O-N 3.32Å; D1377-K1380 IonicContact OD1-NZ 3.89Å; D1377-K1380 PolarHBondContact OD1-NZ 2.91Å; I1378-K1380 VanDerWaalsContact C-N 3.31Å; I1378-K1380 PolarHBondContact O-N 3.12Å
1381R74.1Confident67.6Low144 Ų14465.7 Ų65.754%0.54333%0.329SS..THydrogen-bonded Turntrans-86.7-7.1-179.4-63.3176.8-174.5-174.4-1.4113.6I1378 R1379 P1383 L1384I1378-R1381 WeakPolarHBondContact O-CB 3.35Å; I1378-R1381 PolarHBondContact O-N 2.99Å; R1379-R1381 PolarHBondContact O-N 3.07Å; R1381-P1383 CarbonylContact O-C 3.37Å; R1381-L1384 HydrophobicContact CB-CD1 3.73Å; R1381-L1384 HydrophobicContact CB-CD2 4.15Å; R1381-L1384 HydrophobicContact CB-CG 3.87Å; R1381-L1384 WeakPolarHBondContact O-CG 3.38Å
1382F72.2Confident65.2Low47 Ų4768 Ų6821%0.20635%0.351CS..PPolyproline II helixtrans-73.5141.4-179.8-69.1-47.9000113.6L1342 L1345 I1378 R1379 L1384L1342-F1382 HydrophobicContact CB-CE1 4.22Å; L1342-F1382 HydrophobicContact CD2-CE1 3.56Å; L1342-F1382 HydrophobicContact CD2-CZ 4.15Å; L1342-F1382 HydrophobicContact CG-CD1 4.37Å; L1342-F1382 HydrophobicContact CG-CE1 3.61Å; L1342-F1382 HydrophobicContact CG-CZ 4.38Å; L1342-F1382 WeakPolarHBondContact O-CD1 3.33Å; L1345-F1382 HydrophobicContact CB-CE1 4.26Å; L1345-F1382 HydrophobicContact CB-CE2 3.56Å; L1345-F1382 HydrophobicContact CB-CZ 3.23Å; L1345-F1382 HydrophobicContact CD2-CE2 4.32Å; L1345-F1382 HydrophobicContact CD2-CZ 3.77Å; L1345-F1382 HydrophobicContact CG-CZ 4.13Å; I1378-F1382 HydrophobicContact CG2-CE2 4.48Å; I1378-F1382 HydrophobicContact CG2-CZ 4.05Å; R1379-F1382 HydrophobicContact CB-CD2 4.35Å; R1379-F1382 HydrophobicContact CB-CE2 4.41Å; R1379-F1382 HydrophobicContact CG-CD2 4.33Å; R1379-F1382 HydrophobicContact CG-CE2 4.03Å; R1379-F1382 PolarHBondContact O-N 3.04Å; F1382-L1384 HydrophobicContact CD1-CB 4.05Å; F1382-L1384 HydrophobicContact CD1-CD1 3.83Å; F1382-L1384 HydrophobicContact CD1-CG 4.28Å; F1382-L1384 HydrophobicContact CE1-CB 4.18Å; F1382-L1384 HydrophobicContact CE1-CD1 3.57Å; F1382-L1384 HydrophobicContact CE1-CG 4.39Å; F1382-L1384 HydrophobicContact CZ-CD1 4.3Å
1383P71Confident63.2Low83 Ų8370.7 Ų70.754%0.53936%0.362SS..SBendcis-79.4131.41.732.3-35.4000113.3N1341 L1342 N1343 R1381N1341-P1383 HydrophobicContact CB-CB 3.91Å; L1342-P1383 WeakPolarHBondContact O-CA 3.21Å; N1343-P1383 WeakPolarHBondContact OD1-CB 3.5Å; R1381-P1383 CarbonylContact O-C 3.37Å
1384L74.9Confident61Low29 Ų2973 Ų7315%0.15239%0.385CS..EExtended strand (participates in β ladder)trans-98.9120.6-174.1-98.4153.4000110.6N1341 L1342 R1381 F1382 V1386 V1414N1341-L1384 CarbonylContact C-O 3.54Å; N1341-L1384 WeakPolarHBondContact CA-O 3.24Å; L1342-L1384 HydrophobicContact CB-CB 4.15Å; L1342-L1384 WeakPolarHBondContact CB-O 3.42Å; L1342-L1384 PolarHBondContact N-O 2.9Å; L1342-L1384 PolarHBondContact O-N 3.38Å; R1381-L1384 HydrophobicContact CB-CD1 3.73Å; R1381-L1384 HydrophobicContact CB-CD2 4.15Å; R1381-L1384 HydrophobicContact CB-CG 3.87Å; R1381-L1384 WeakPolarHBondContact O-CG 3.38Å; F1382-L1384 HydrophobicContact CD1-CB 4.05Å; F1382-L1384 HydrophobicContact CD1-CD1 3.83Å; F1382-L1384 HydrophobicContact CD1-CG 4.28Å; F1382-L1384 HydrophobicContact CE1-CB 4.18Å; F1382-L1384 HydrophobicContact CE1-CD1 3.57Å; F1382-L1384 HydrophobicContact CE1-CG 4.39Å; F1382-L1384 HydrophobicContact CZ-CD1 4.3Å; L1384-V1386 PolarHBondContact O-N 3.12Å; L1384-V1414 HydrophobicContact CD1-CG1 4.17Å
1385P72.9Confident58.8Low57 Ų5779.2 Ų79.237%0.3741%0.413SS..EExtended strand (participates in β ladder)trans-68.3129.8179.627-32.9000111.4N1341N1341-P1385 WeakPolarHBondContact OD1-CA 3.49Å
1386V68.4Low56.6Low4 Ų483.7 Ų83.72%0.02444%0.443CS..EExtended strand (participates in β ladder)trans-100.9105.1176-176.40000108.5D1313 R1340 L1342 L1384 V1462D1313-V1386 HydrophobicContact CB-CB 4.34Å; D1313-V1386 HydrophobicContact CB-CG1 3.79Å; R1340-V1386 PolarHBondContact O-N 3.19Å; L1342-V1386 HydrophobicContact CB-CG2 3.87Å; L1384-V1386 PolarHBondContact O-N 3.12Å; V1386-V1462 HydrophobicContact CG2-CG2 4.24Å
1387E64Low54.4Low77 Ų7784 Ų8436%0.3645%0.45SS..  trans-96.8-9.7-174-63.3-166.8156.700113.5R1316 K1339 T1412R1316-E1387 PolarHBondContact NH1-O 3.1Å; K1339-E1387 IonicContact NZ-OE1 2.77Å; K1339-E1387 PolarHBondContact NZ-OE1 3.49Å; E1387-T1412 PolarHBondContact N-OG1 3.44Å
1388N57.1Low52.1Low10 Ų1087.4 Ų87.45%0.05346%0.464CS..  trans48.358.7-174.8-69-22.8000111.9R1312 D1313 Y1410 T1412R1312-N1388 VanDerWaalsContact CA-OD1 3.31Å; R1312-N1388 WeakPolarHBondContact CA-OD1 3.31Å; R1312-N1388 WeakPolarHBondContact CG-OD1 3.38Å; D1313-N1388 PolarHBondContact N-ND2 3.12Å; D1313-N1388 PolarHBondContact N-OD1 3.34Å; D1313-N1388 PolarHBondContact O-ND2 3.1Å; N1388-Y1410 VanDerWaalsContact O-CD1 3.28Å; N1388-Y1410 WeakPolarHBondContact O-CD1 3.04Å; N1388-T1412 PolarHBondContact N-OG1 3.11Å
1389C51.4Low50.1Low65 Ų6595 Ų9544%0.43951%0.505SS..PPolyproline II helixtrans-78.4146.7176.6-57.30000110.1V1391 Y1410 A1411C1389-V1391 PolarHBondContact O-N 3.33Å; C1389-Y1410 CarbonylContact O-C 3.59Å; C1389-Y1410 VanDerWaalsContact O-CA 3.26Å; C1389-Y1410 WeakPolarHBondContact O-CA 3.36Å; C1389-A1411 PolarHBondContact O-N 2.93Å
1390E39.8Very low47.8Very low112 Ų11295.2 Ų95.252%0.52352%0.523SS..BIsolated β-bridgetrans-57.8118.2172.9-133.6165.7-109.400107.8P1392 P1408 Y1410E1390-P1392 WeakPolarHBondContact O-CD 3.44Å; E1390-P1408 HydrophobicContact CG-CB 3.56Å; E1390-P1408 HydrophobicContact CG-CG 3.82Å; E1390-Y1410 HydrophobicContact CB-CD1 3.89Å; E1390-Y1410 HydrophobicContact CB-CE1 3.61Å; E1390-Y1410 HydrophobicContact CG-CD1 3.92Å; E1390-Y1410 HydrophobicContact CG-CE1 3.34Å; E1390-Y1410 HydrophobicContact CG-CE2 4.48Å; E1390-Y1410 VanDerWaalsContact N-CD1 3.29Å; E1390-Y1410 VanDerWaalsContact OE1-CE1 3.27Å; E1390-Y1410 WeakPolarHBondContact OE1-CE1 3.32Å; E1390-Y1410 PolarHBondContact OE1-OH 3.44Å
1391V36.5Very low45.6Very low25 Ų2595.9 Ų95.915%0.15253%0.534CS..PPolyproline II helixtrans-65.5123.9176.5175.90000106.5F1236 C1389 N1393 L1409 A1411F1236-V1391 HydrophobicContact CE1-CG2 4.16Å; C1389-V1391 PolarHBondContact O-N 3.33Å; V1391-N1393 VanDerWaalsContact C-N 3.35Å; V1391-N1393 PolarHBondContact O-N 2.94Å; V1391-L1409 HydrophobicContact CB-CB 4.32Å; V1391-L1409 VanDerWaalsContact CB-O 3.29Å; V1391-L1409 WeakPolarHBondContact CB-O 3.3Å; V1391-L1409 HydrophobicContact CG2-CB 4.28Å; V1391-L1409 WeakPolarHBondContact CG2-O 3.29Å; V1391-L1409 PolarHBondContact N-O 2.87Å; V1391-A1411 HydrophobicContact CG2-CB 4.26Å
1392P31.1Very low43.3Very low127 Ų12799.6 Ų99.683%0.82555%0.55SS*.  trans-63.691.6-174.5-19.931000111.2E1390 S1394E1390-P1392 WeakPolarHBondContact O-CD 3.44Å; P1392-S1394 PolarHBondContact O-N 3.03Å
1393N31Very low41.2Very low98 Ų98103.2 Ų103.252%0.52457%0.571SS.*  trans-78.1113.5172.3-79.4-13000108.3V1391 L1395V1391-N1393 VanDerWaalsContact C-N 3.35Å; V1391-N1393 PolarHBondContact O-N 2.94Å; N1393-L1395 PolarHBondContact O-N 3.45Å
1394S26.7Very low39.2Very low120 Ų120107.4 Ų107.484%0.83958%0.584SS**  trans-66.981162.1560000109.6P1392P1392-S1394 PolarHBondContact O-N 3.03Å
1395L26.3Very low37Very low150 Ų150114.7 Ų114.779%0.78562%0.616SS**  trans-143.3145.3167-94.8129.7000111.1N1393N1393-L1395 PolarHBondContact O-N 3.45Å
1396P27.1Very low35Very low115 Ų115116.8 Ų116.875%0.74763%0.632SS**  trans-93.4140-15635-30.3000114.1
1397N26.7Very low33.1Very low151 Ų151123.6 Ų123.681%0.80767%0.668SS**  trans49.293.8137.1-122.914.5000118.9N1399N1397-N1399 PolarHBondContact O-N 3.23Å
1398M24.5Very low31.7Very low156 Ų156122 Ų12277%0.76866%0.664SS**  14.8101.5123.2-66.6-69.7177.600116.3
1399N28.2Very low30.9Very low163 Ų163124.7 Ų124.787%0.87268%0.678SS**  155.467.9129.7-76.7-12.5000110.2N1397N1397-N1399 PolarHBondContact O-N 3.23Å
1400S26.1Very low30.5Very low115 Ų115124.9 Ų124.980%0.80467%0.671SS**SBendtrans-154.1135.1157.656.10000108.3
1401D27.8Very low31.3Very low165 Ų165120 Ų12088%0.88265%0.649SS**  trans-41.5136-166.9-67-50.9000115.4D1403D1401-D1403 PolarHBondContact O-N 2.63Å
1402Y24.9Very low32.5Very low222 Ų222120.1 Ų120.187%0.87165%0.65SS**  trans-47.6113.4-174.9-80.5-98.8000113.9
1403D29.4Very low34.4Very low123 Ų123117.1 Ų117.166%0.65863%0.625SS**  trans-99.2114.6155.3-102.8-27.2000108D1401 H1405 S1406D1401-D1403 PolarHBondContact O-N 2.63Å; D1403-H1405 PolarHBondContact O-N 3.03Å; D1403-S1406 PolarHBondContact O-N 3.24Å; D1403-S1406 PolarHBondContact O-OG 3.25Å
1404E28.1Very low35.9Very low171 Ų171112.6 Ų112.680%0.79960%0.601SS**THydrogen-bonded Turntrans-61.43.1179.7-74.5-172.415300114.4S1406E1404-S1406 VanDerWaalsContact C-N 3.29Å; E1404-S1406 PolarHBondContact O-N 3.3Å
1405H29.1Very low38Very low182 Ų182107.1 Ų107.184%0.84356%0.563SS**THydrogen-bonded Turntrans-78.2-7.2174.1-67.5-56.1000114.2D1403D1403-H1405 PolarHBondContact O-N 3.03Å
1406S30.1Very low40.1Very low101 Ų101102.4 Ų102.471%0.70654%0.538SS*.  trans-103.956174.167.40000112.3D1403 E1404 P1408D1403-S1406 PolarHBondContact O-N 3.24Å; D1403-S1406 PolarHBondContact O-OG 3.25Å; E1404-S1406 VanDerWaalsContact C-N 3.29Å; E1404-S1406 PolarHBondContact O-N 3.3Å; S1406-P1408 WeakPolarHBondContact O-CD 3.32Å
1407L29.6Very low42.2Very low147 Ų14797.1 Ų97.177%0.7750%0.504SS*.  trans-75.4120.8169.5-77.2165.3000109.1
1408P35Very low44.2Very low44 Ų4494.2 Ų94.229%0.28648%0.481SS..  trans-63141.2-178.621.7-29.2000111.8E1390 S1406 Y1410E1390-P1408 HydrophobicContact CG-CB 3.56Å; E1390-P1408 HydrophobicContact CG-CG 3.82Å; S1406-P1408 WeakPolarHBondContact O-CD 3.32Å; P1408-Y1410 HydrophobicContact CB-CE2 4.43Å; P1408-Y1410 HydrophobicContact CG-CE2 3.74Å; P1408-Y1410 WeakPolarHBondContact O-CD2 3.14Å; P1408-Y1410 WeakPolarHBondContact O-CE2 3.09Å; P1408-Y1410 PolarHBondContact O-N 3.48Å; P1408-Y1410 VanDerWaalsContact O-N 3.15Å
1409L39.4Very low46.6Very low66 Ų6686.8 Ų86.835%0.34645%0.445SS..  trans-69.2108178.8-72.2163.6000108.9I1240 V1391I1240-L1409 HydrophobicContact CD1-CD2 3.96Å; V1391-L1409 HydrophobicContact CB-CB 4.32Å; V1391-L1409 VanDerWaalsContact CB-O 3.29Å; V1391-L1409 WeakPolarHBondContact CB-O 3.3Å; V1391-L1409 HydrophobicContact CG2-CB 4.28Å; V1391-L1409 WeakPolarHBondContact CG2-O 3.29Å; V1391-L1409 PolarHBondContact N-O 2.87Å
1410Y43.6Very low49.1Very low70 Ų7081 Ų8128%0.27541%0.412SS..BIsolated β-bridgetrans-94.2111.1173.5-64.9-87.8000110.6R1312 N1388 C1389 E1390 P1408R1312-Y1410 WeakPolarHBondContact CD-O 3.45Å; R1312-Y1410 WeakPolarHBondContact CG-O 3.32Å; N1388-Y1410 VanDerWaalsContact O-CD1 3.28Å; N1388-Y1410 WeakPolarHBondContact O-CD1 3.04Å; C1389-Y1410 CarbonylContact O-C 3.59Å; C1389-Y1410 VanDerWaalsContact O-CA 3.26Å; C1389-Y1410 WeakPolarHBondContact O-CA 3.36Å; E1390-Y1410 HydrophobicContact CB-CD1 3.89Å; E1390-Y1410 HydrophobicContact CB-CE1 3.61Å; E1390-Y1410 HydrophobicContact CG-CD1 3.92Å; E1390-Y1410 HydrophobicContact CG-CE1 3.34Å; E1390-Y1410 HydrophobicContact CG-CE2 4.48Å; E1390-Y1410 VanDerWaalsContact N-CD1 3.29Å; E1390-Y1410 VanDerWaalsContact OE1-CE1 3.27Å; E1390-Y1410 WeakPolarHBondContact OE1-CE1 3.32Å; E1390-Y1410 PolarHBondContact OE1-OH 3.44Å; P1408-Y1410 HydrophobicContact CB-CE2 4.43Å; P1408-Y1410 HydrophobicContact CG-CE2 3.74Å; P1408-Y1410 WeakPolarHBondContact O-CD2 3.14Å; P1408-Y1410 WeakPolarHBondContact O-CE2 3.09Å; P1408-Y1410 PolarHBondContact O-N 3.48Å; P1408-Y1410 VanDerWaalsContact O-N 3.15Å
1411A55.8Low51.6Low9 Ų975.5 Ų75.57%0.07437%0.374CS..  trans-153.9151.4177.500000111.4F1236 R1312 C1389 V1391F1236-A1411 HydrophobicContact CD1-CB 3.92Å; F1236-A1411 HydrophobicContact CE1-CB 4.09Å; R1312-A1411 HydrophobicContact CB-CB 4.38Å; C1389-A1411 PolarHBondContact O-N 2.93Å; V1391-A1411 HydrophobicContact CG2-CB 4.26Å
1412T62.7Low53.9Low27 Ų2768.7 Ų68.717%0.16634%0.337CS..EExtended strand (participates in β ladder)trans-97.3127.6177.5-59.60000110.1Y1310 I1311 E1387 N1388 V1414Y1310-T1412 CarbonylContact C-O 3.34Å; Y1310-T1412 WeakPolarHBondContact CA-O 3.43Å; I1311-T1412 PolarHBondContact N-O 2.99Å; I1311-T1412 PolarHBondContact O-N 3.16Å; E1387-T1412 PolarHBondContact N-OG1 3.44Å; N1388-T1412 PolarHBondContact N-OG1 3.11Å; T1412-V1414 PolarHBondContact O-N 2.84Å
1413H69.5Low56.2Low64 Ų6458.1 Ų58.130%0.29630%0.296SS..EExtended strand (participates in β ladder)trans-67.2126.7174.5177-112.4000110.9Y1310Y1310-H1413 HydrophobicContact CD1-CB 3.81Å; Y1310-H1413 HydrophobicContact CE1-CB 3.57Å; Y1310-H1413 AromaticContact CE1-CD2 3.74Å; Y1310-H1413 AromaticContact CE1-CG 3.98Å; Y1310-H1413 AromaticContact CE2-CD2 3.99Å; Y1310-H1413 AromaticContact CZ-CD2 3.59Å
1414V64.1Low58.3Low4 Ų454.7 Ų54.72%0.02428%0.278CS..EExtended strand (participates in β ladder)trans-103.5-37.9-174.1177.10000111.7L1309 I1311 L1342 L1345 I1378 L1384 T1412L1309-V1414 HydrophobicContact CB-CB 4.38Å; L1309-V1414 HydrophobicContact CD2-CB 4.28Å; L1309-V1414 HydrophobicContact CD2-CG1 4.08Å; L1309-V1414 HydrophobicContact CG-CB 4.46Å; L1309-V1414 WeakPolarHBondContact O-CB 3.36Å; L1309-V1414 PolarHBondContact O-N 3.49Å; I1311-V1414 HydrophobicContact CB-CG2 3.73Å; I1311-V1414 HydrophobicContact CD1-CG2 3.91Å; I1311-V1414 HydrophobicContact CG1-CG2 3.72Å; L1342-V1414 HydrophobicContact CD2-CG1 4.15Å; L1342-V1414 HydrophobicContact CD2-CG2 4.15Å; L1345-V1414 HydrophobicContact CD2-CG1 4.41Å; I1378-V1414 HydrophobicContact CG2-CG1 3.58Å; L1384-V1414 HydrophobicContact CD1-CG1 4.17Å; T1412-V1414 PolarHBondContact O-N 2.84Å
1415G69.7Low60.6Low4 Ų451 Ų514%0.04126%0.259CS..EExtended strand (participates in β ladder)trans150.9-176.1177.300000114L1309L1309-G1415 PolarHBondContact N-O 3.47Å
1416L70.6Confident62.7Low52 Ų5243.6 Ų43.627%0.27222%0.223SC..EExtended strand (participates in β ladder)trans-107.9135.6-177.1-178.774.7000110.9P1306 I1307 E1308 W1418P1306-L1416 HydrophobicContact CB-CD1 4.03Å; I1307-L1416 CarbonylContact O-C 3.58Å; I1307-L1416 WeakPolarHBondContact O-CA 3.37Å; E1308-L1416 HydrophobicContact CB-CD1 4.42Å; E1308-L1416 HydrophobicContact CG-CD1 3.45Å; E1308-L1416 VanDerWaalsContact CG-CD1 3.45Å; L1416-W1418 HydrophobicContact CD2-CZ2 4.04Å; L1416-W1418 VanDerWaalsContact CD2-NE1 3.25Å
1417I71.2Confident64.5Low4 Ų440.3 Ų40.32%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-118.4133.9173.5-57.3173.2000108.3I1307 V1347 L1375 I1378I1307-I1417 PolarHBondContact N-O 2.82Å; I1307-I1417 PolarHBondContact O-N 3.04Å; V1347-I1417 HydrophobicContact CG2-CD1 4.43Å; L1375-I1417 HydrophobicContact CD1-CD1 3.88Å; L1375-I1417 HydrophobicContact CD1-CG1 4.47Å; I1378-I1417 HydrophobicContact CD1-CD1 4.08Å; I1378-I1417 HydrophobicContact CD1-CG1 3.59Å
1418W69.4Low66.1Low89 Ų8938.3 Ų38.334%0.33718%0.182SC..EExtended strand (participates in β ladder)trans-104.3133.1175.2-72.190.2000111W1304 P1306 C1372 I1373 L1416W1304-W1418 HydrophobicContact CB-CE3 4.39Å; W1304-W1418 HydrophobicContact CB-CZ3 4.48Å; W1304-W1418 HydrophobicContact CE3-CB 4.33Å; W1304-W1418 HydrophobicContact CE3-CE3 4.39Å; W1304-W1418 HydrophobicContact CZ3-CB 4.42Å; P1306-W1418 HydrophobicContact CB-CD2 3.99Å; P1306-W1418 HydrophobicContact CB-CE3 3.71Å; P1306-W1418 HydrophobicContact CB-CH2 3.68Å; P1306-W1418 HydrophobicContact CB-CZ2 3.94Å; P1306-W1418 HydrophobicContact CB-CZ3 3.56Å; P1306-W1418 HydrophobicContact CG-CE3 4.09Å; P1306-W1418 HydrophobicContact CG-CH2 3.75Å; P1306-W1418 HydrophobicContact CG-CZ2 4.49Å; P1306-W1418 HydrophobicContact CG-CZ3 3.52Å; C1372-W1418 CarbonylContact C-O 3.6Å; C1372-W1418 WeakPolarHBondContact CA-O 3.44Å; I1373-W1418 HydrophobicContact CB-CB 4.33Å; I1373-W1418 PolarHBondContact N-O 2.75Å; I1373-W1418 PolarHBondContact O-N 2.74Å; L1416-W1418 HydrophobicContact CD2-CZ2 4.04Å; L1416-W1418 VanDerWaalsContact CD2-NE1 3.25Å
1419L74.7Confident67.6Low0 Ų038 Ų380%018%0.178CC..EExtended strand (participates in β ladder)trans-106.4119.2170.6-57.6-177.8000109.8W1304 L1305 I1307 V1370 Q1371 C1372 F1421 L1456 F1496W1304-L1419 CarbonylContact C-O 3.6Å; W1304-L1419 WeakPolarHBondContact CA-O 3.45Å; L1305-L1419 HydrophobicContact CB-CB 4.35Å; L1305-L1419 HydrophobicContact CD2-CD1 4.5Å; L1305-L1419 PolarHBondContact N-O 2.82Å; L1305-L1419 PolarHBondContact O-N 3.29Å; I1307-L1419 HydrophobicContact CD1-CD1 3.55Å; I1307-L1419 HydrophobicContact CD1-CG 4.01Å; V1370-L1419 HydrophobicContact CG1-CB 4.34Å; V1370-L1419 HydrophobicContact CG1-CD2 4.39Å; Q1371-L1419 CarbonylContact O-C 3.58Å; Q1371-L1419 WeakPolarHBondContact O-CA 3.4Å; C1372-L1419 HydrophobicContact CB-CD2 4.08Å; C1372-L1419 WeakPolarHBondContact SG-CD2 3.37Å; L1419-F1421 HydrophobicContact CB-CE2 3.83Å; L1419-F1421 HydrophobicContact CB-CZ 4.21Å; L1419-F1421 HydrophobicContact CD1-CZ 4.26Å; L1419-L1456 HydrophobicContact CD1-CD2 4.46Å; L1419-F1496 HydrophobicContact CD1-CE1 4.1Å; L1419-F1496 HydrophobicContact CD1-CE2 3.85Å; L1419-F1496 HydrophobicContact CD1-CZ 3.32Å
1420K80.7Confident68.6Low42 Ų4235.3 Ų35.318%0.18316%0.164CC..EExtended strand (participates in β ladder)trans-95.4120170.8-176.5-167.4176.1-156.20109W1304 V1370 Q1371 I1373 D1422W1304-K1420 HydrophobicContact CD2-CB 3.97Å; W1304-K1420 HydrophobicContact CD2-CG 4.03Å; W1304-K1420 HydrophobicContact CE3-CB 3.8Å; W1304-K1420 HydrophobicContact CE3-CG 4.35Å; W1304-K1420 HydrophobicContact CH2-CB 3.83Å; W1304-K1420 HydrophobicContact CH2-CD 3.91Å; W1304-K1420 HydrophobicContact CH2-CG 4Å; W1304-K1420 HydrophobicContact CZ2-CB 3.97Å; W1304-K1420 HydrophobicContact CZ2-CD 3.54Å; W1304-K1420 HydrophobicContact CZ2-CG 3.62Å; W1304-K1420 HydrophobicContact CZ3-CB 3.75Å; W1304-K1420 HydrophobicContact CZ3-CG 4.35Å; V1370-K1420 CarbonylContact C-O 3.48Å; V1370-K1420 VanDerWaalsContact CA-O 3.27Å; V1370-K1420 WeakPolarHBondContact CA-O 3.08Å; Q1371-K1420 HydrophobicContact CB-CB 4.3Å; Q1371-K1420 PolarHBondContact N-O 2.84Å; Q1371-K1420 PolarHBondContact O-N 2.85Å; I1373-K1420 HydrophobicContact CD1-CB 4.45Å; K1420-D1422 WeakPolarHBondContact CE-OD2 2.93Å; K1420-D1422 IonicContact NZ-OD2 3Å; K1420-D1422 PolarHBondContact NZ-OD2 3.02Å
1421F77.2Confident69.3Low0 Ų034.2 Ų34.20%017%0.165CC..EExtended strand (participates in β ladder)trans-99.1128.7172-61.2-91.7000110.3L1295 I1297 T1302 R1303 L1305 F1369 V1370 L1419 F1496 L1498L1295-F1421 HydrophobicContact CD1-CD1 4.03Å; L1295-F1421 HydrophobicContact CD1-CD2 4.2Å; L1295-F1421 HydrophobicContact CD1-CE1 3.52Å; L1295-F1421 HydrophobicContact CD1-CE2 3.7Å; L1295-F1421 HydrophobicContact CD1-CG 4.36Å; L1295-F1421 HydrophobicContact CD1-CZ 3.34Å; I1297-F1421 HydrophobicContact CD1-CB 3.51Å; I1297-F1421 HydrophobicContact CD1-CG 4.32Å; T1302-F1421 CarbonylContact C-O 3.58Å; T1302-F1421 VanDerWaalsContact CA-O 3.26Å; T1302-F1421 WeakPolarHBondContact CA-O 3.45Å; R1303-F1421 PolarHBondContact N-O 3.42Å; R1303-F1421 PolarHBondContact O-N 3.07Å; L1305-F1421 HydrophobicContact CB-CE2 3.9Å; L1305-F1421 HydrophobicContact CD2-CE2 4.24Å; F1369-F1421 CarbonylContact O-C 3.57Å; F1369-F1421 WeakPolarHBondContact O-CA 2.85Å; V1370-F1421 HydrophobicContact CB-CD1 4.43Å; V1370-F1421 HydrophobicContact CB-CE1 4.38Å; V1370-F1421 HydrophobicContact CG1-CD1 4.3Å; V1370-F1421 HydrophobicContact CG1-CE1 3.96Å; V1370-F1421 HydrophobicContact CG1-CZ 4.26Å; V1370-F1421 HydrophobicContact CG2-CD1 3.46Å; V1370-F1421 VanDerWaalsContact CG2-CD1 3.46Å; V1370-F1421 HydrophobicContact CG2-CE1 3.48Å; V1370-F1421 VanDerWaalsContact CG2-CE1 3.48Å; V1370-F1421 HydrophobicContact CG2-CG 4.48Å; L1419-F1421 HydrophobicContact CB-CE2 3.83Å; L1419-F1421 HydrophobicContact CB-CZ 4.21Å; L1419-F1421 HydrophobicContact CD1-CZ 4.26Å; F1421-F1496 HydrophobicContact CE1-CD1 4.36Å; F1421-F1496 HydrophobicContact CE1-CG 4.38Å; F1421-F1496 AromaticContact CZ-CD1 3.98Å; F1421-F1496 HydrophobicContact CZ-CD1 3.98Å; F1421-F1496 HydrophobicContact CZ-CE1 4.07Å; F1421-F1496 HydrophobicContact CZ-CG 4.37Å; F1421-F1496 HydrophobicContact CZ-CZ 4.5Å; F1421-L1498 HydrophobicContact CD1-CD1 3.98Å; F1421-L1498 HydrophobicContact CD1-CD2 3.45Å; F1421-L1498 VanDerWaalsContact CD1-CD2 3.45Å; F1421-L1498 HydrophobicContact CD1-CG 4.29Å; F1421-L1498 HydrophobicContact CE1-CD1 4.15Å; F1421-L1498 HydrophobicContact CE1-CD2 3.82Å; F1421-L1498 HydrophobicContact CE1-CG 4.39Å; F1421-L1498 HydrophobicContact CG-CD2 4.34Å
1422D78Confident69.5Low21 Ų2139 Ų3911%0.11219%0.189CC..EExtended strand (participates in β ladder)trans-139.2134.1-172.2-161.8-31.7000110.4T1302 F1369 K1420 D1424T1302-D1422 HydrophobicContact CG2-CB 4.1Å; T1302-D1422 WeakPolarHBondContact CG2-OD1 3.38Å; T1302-D1422 WeakPolarHBondContact CG2-OD2 3.4Å; F1369-D1422 PolarHBondContact O-N 3.35Å; K1420-D1422 WeakPolarHBondContact CE-OD2 2.93Å; K1420-D1422 IonicContact NZ-OD2 3Å; K1420-D1422 PolarHBondContact NZ-OD2 3.02Å; D1422-D1424 WeakPolarHBondContact OD1-CB 3.36Å; D1422-D1424 PolarHBondContact OD1-N 3.36Å
1423S72.7Confident69.6Low0 Ų041.7 Ų41.70%020%0.196CC..  trans-109.7-4.9-178.766.40000113.9F1298 Y1300 E1301 K1425 Y1426 W1427F1298-S1423 PolarHBondContact O-OG 3.18Å; Y1300-S1423 PolarHBondContact N-OG 3.32Å; E1301-S1423 PolarHBondContact N-OG 3.42Å; E1301-S1423 PolarHBondContact O-N 3.42Å; E1301-S1423 PolarHBondContact O-OG 3.23Å; E1301-S1423 VanDerWaalsContact O-OG 3.05Å; S1423-K1425 PolarHBondContact O-N 3.1Å; S1423-Y1426 PolarHBondContact O-N 3.28Å; S1423-W1427 PolarHBondContact O-N 2.91Å
1424D72.4Confident68.8Low52 Ų5240.8 Ų40.828%0.27819%0.192SC..Hα-helixtrans-59.5-51-169.2-71.1-6.6000112.5Y1300 D1422 Y1426 W1427 Q1428Y1300-D1424 VanDerWaalsContact C-OD1 3.22Å; Y1300-D1424 WeakPolarHBondContact CA-OD1 3.19Å; D1422-D1424 WeakPolarHBondContact OD1-CB 3.36Å; D1422-D1424 PolarHBondContact OD1-N 3.36Å; D1424-Y1426 VanDerWaalsContact C-N 3.26Å; D1424-Y1426 PolarHBondContact O-N 3.14Å; D1424-W1427 PolarHBondContact O-N 2.85Å; D1424-W1427 VanDerWaalsContact O-N 3.16Å; D1424-Q1428 WeakPolarHBondContact O-CG 3.26Å; D1424-Q1428 PolarHBondContact O-N 2.81Å
1425K76.2Confident68Low93 Ų9345.9 Ų45.940%0.40423%0.227SC..Hα-helixtrans-59.6-37.2-178.2-76.8179.21701780112.8L1364 D1368 S1423 I1429L1364-K1425 HydrophobicContact CD2-CB 4.11Å; D1368-K1425 HydrophobicContact CB-CD 3.8Å; D1368-K1425 IonicContact OD1-NZ 3.57Å; D1368-K1425 PolarHBondContact OD1-NZ 2.8Å; S1423-K1425 PolarHBondContact O-N 3.1Å; K1425-I1429 WeakPolarHBondContact O-CG1 3.44Å; K1425-I1429 PolarHBondContact O-N 2.97Å
1426Y75Confident67.3Low26 Ų2650 Ų5010%0.10226%0.255CS..Hα-helixtrans-64.3-50.1176.8174.9-95.8000110.5L1362 L1364 F1369 S1423 D1424 I1429 V1430 M1444 L1500L1362-Y1426 HydrophobicContact CD1-CD2 3.79Å; L1362-Y1426 HydrophobicContact CD1-CE2 3.43Å; L1362-Y1426 VanDerWaalsContact CD1-CE2 3.43Å; L1364-Y1426 HydrophobicContact CD1-CD2 4.03Å; F1369-Y1426 HydrophobicContact CE1-CD2 4.13Å; F1369-Y1426 HydrophobicContact CE1-CG 4.03Å; F1369-Y1426 AromaticContact CZ-CD2 3.78Å; F1369-Y1426 HydrophobicContact CZ-CD2 3.78Å; F1369-Y1426 HydrophobicContact CZ-CG 4.08Å; S1423-Y1426 PolarHBondContact O-N 3.28Å; D1424-Y1426 VanDerWaalsContact C-N 3.26Å; D1424-Y1426 PolarHBondContact O-N 3.14Å; Y1426-I1429 PolarHBondContact O-N 2.74Å; Y1426-V1430 HydrophobicContact CD1-CG2 4.18Å; Y1426-V1430 HydrophobicContact CD2-CG2 4.36Å; Y1426-V1430 HydrophobicContact CE1-CG2 3.89Å; Y1426-V1430 HydrophobicContact CE2-CG2 4.11Å; Y1426-V1430 HydrophobicContact CG-CG2 4.41Å; Y1426-V1430 WeakPolarHBondContact O-CB 2.88Å; Y1426-V1430 WeakPolarHBondContact O-CG2 3.26Å; Y1426-V1430 PolarHBondContact O-N 2.76Å; Y1426-M1444 HydrophobicContact CE1-CE 4.21Å; Y1426-M1444 WeakPolarHBondContact OH-CE 3.32Å; Y1426-L1500 HydrophobicContact CD1-CD1 3.61Å; Y1426-L1500 HydrophobicContact CD2-CD1 4.23Å; Y1426-L1500 HydrophobicContact CE1-CD1 3.73Å; Y1426-L1500 HydrophobicContact CE2-CD1 4.31Å; Y1426-L1500 HydrophobicContact CG-CD1 3.87Å
1427W66.6Low66.8Low32 Ų3249.8 Ų49.812%0.12126%0.255CS..Hα-helixtrans-71.4-31.6-177.2-69.3111.6000113.2P1299 Y1300 S1423 D1424 V1430 T1431 L1500 L1501P1299-W1427 HydrophobicContact CB-CD2 4.15Å; P1299-W1427 HydrophobicContact CB-CG 4.2Å; P1299-W1427 HydrophobicContact CB-CZ2 4.47Å; P1299-W1427 HydrophobicContact CG-CZ2 4.05Å; Y1300-W1427 HydrophobicContact CD1-CB 3.99Å; Y1300-W1427 HydrophobicContact CD2-CB 4.33Å; Y1300-W1427 HydrophobicContact CE1-CB 3.49Å; Y1300-W1427 VanDerWaalsContact CE1-CB 3.49Å; Y1300-W1427 HydrophobicContact CE2-CB 3.87Å; Y1300-W1427 HydrophobicContact CG-CB 4.39Å; Y1300-W1427 VanDerWaalsContact CZ-CB 3.43Å; Y1300-W1427 PolarHBondContact OH-O 2.84Å; S1423-W1427 PolarHBondContact O-N 2.91Å; D1424-W1427 PolarHBondContact O-N 2.85Å; D1424-W1427 VanDerWaalsContact O-N 3.16Å; W1427-V1430 HydrophobicContact CE3-CB 4.37Å; W1427-V1430 HydrophobicContact CE3-CG1 4.19Å; W1427-V1430 HydrophobicContact CZ3-CG1 4.25Å; W1427-T1431 WeakPolarHBondContact O-CB 3.34Å; W1427-T1431 PolarHBondContact O-N 2.81Å; W1427-T1431 PolarHBondContact O-OG1 3.39Å; W1427-L1500 HydrophobicContact CZ2-CB 4.33Å; W1427-L1501 WeakPolarHBondContact CZ2-O 3.34Å
1428Q63.1Low66.3Low105 Ų10554 Ų5449%0.49128%0.283SS..Hα-helixtrans-60.1-52.4170-74.1179-11.600111.5Y1300 D1424 V1430 T1431 D1432Y1300-Q1428 HydrophobicContact CE1-CG 4.07Å; D1424-Q1428 WeakPolarHBondContact O-CG 3.26Å; D1424-Q1428 PolarHBondContact O-N 2.81Å; Q1428-V1430 PolarHBondContact O-N 3.04Å; Q1428-T1431 PolarHBondContact O-N 2.9Å; Q1428-D1432 WeakPolarHBondContact O-CB 3.48Å; Q1428-D1432 PolarHBondContact O-N 3.07Å
1429I66.7Low66Low38 Ų3856.2 Ų56.220%0.19530%0.297CS..Hα-helixtrans-64.1-42.7-179.5-67.4175.4000111.5L1364 K1425 Y1426 T1431 R1433L1364-I1429 HydrophobicContact CD1-CD1 4.2Å; L1364-I1429 HydrophobicContact CD2-CD1 3.51Å; L1364-I1429 HydrophobicContact CG-CD1 3.77Å; K1425-I1429 WeakPolarHBondContact O-CG1 3.44Å; K1425-I1429 PolarHBondContact O-N 2.97Å; Y1426-I1429 PolarHBondContact O-N 2.74Å; I1429-T1431 VanDerWaalsContact C-N 3.32Å; I1429-T1431 PolarHBondContact O-N 3.4Å; I1429-R1433 HydrophobicContact CG2-CG 4.36Å; I1429-R1433 WeakPolarHBondContact O-CB 3.4Å; I1429-R1433 WeakPolarHBondContact O-CG 3.36Å; I1429-R1433 PolarHBondContact O-N 2.75Å
1430V61.6Low65.3Low9 Ų956.7 Ų56.76%0.05530%0.299CS..Hα-helixtrans-58.8-48.3176.5166.20000109.3Y1426 W1427 Q1428 F1434 M1444Y1426-V1430 HydrophobicContact CD1-CG2 4.18Å; Y1426-V1430 HydrophobicContact CD2-CG2 4.36Å; Y1426-V1430 HydrophobicContact CE1-CG2 3.89Å; Y1426-V1430 HydrophobicContact CE2-CG2 4.11Å; Y1426-V1430 HydrophobicContact CG-CG2 4.41Å; Y1426-V1430 WeakPolarHBondContact O-CB 2.88Å; Y1426-V1430 WeakPolarHBondContact O-CG2 3.26Å; Y1426-V1430 PolarHBondContact O-N 2.76Å; W1427-V1430 HydrophobicContact CE3-CB 4.37Å; W1427-V1430 HydrophobicContact CE3-CG1 4.19Å; W1427-V1430 HydrophobicContact CZ3-CG1 4.25Å; Q1428-V1430 PolarHBondContact O-N 3.04Å; V1430-F1434 WeakPolarHBondContact O-CB 3.41Å; V1430-F1434 PolarHBondContact O-N 2.95Å; V1430-M1444 HydrophobicContact CB-CE 4.07Å; V1430-M1444 HydrophobicContact CG1-CE 3.46Å; V1430-M1444 VanDerWaalsContact CG1-CE 3.46Å; V1430-M1444 HydrophobicContact CG1-SD 4.49Å; V1430-M1444 HydrophobicContact CG2-CE 3.36Å
1431T57.7Low64Low47 Ų4757.2 Ų57.229%0.28830%0.304SS..Hα-helixtrans-71.5-40.1-174.9-430000112.6Y1300 W1427 Q1428 I1429 H1750Y1300-T1431 PolarHBondContact OH-OG1 3.33Å; W1427-T1431 WeakPolarHBondContact O-CB 3.34Å; W1427-T1431 PolarHBondContact O-N 2.81Å; W1427-T1431 PolarHBondContact O-OG1 3.39Å; Q1428-T1431 PolarHBondContact O-N 2.9Å; I1429-T1431 VanDerWaalsContact C-N 3.32Å; I1429-T1431 PolarHBondContact O-N 3.4Å; T1431-H1750 WeakPolarHBondContact CG2-NE2 3.22Å
1432D60Low63.1Low110 Ų11063 Ų6359%0.58833%0.331SS*.Hα-helixtrans-64.7-43.9177.5-70.3-15.7000111.8Q1428 S1435Q1428-D1432 WeakPolarHBondContact O-CB 3.48Å; Q1428-D1432 PolarHBondContact O-N 3.07Å; D1432-S1435 PolarHBondContact O-OG 3.33Å
1433R64.2Low61.9Low84 Ų8464.3 Ų64.332%0.31734%0.337SS..Hα-helixtrans-87-19.4-175.9-64.3-171.3179.7177.12.8114.6I1429 S1435 S1436 D1437 I1440I1429-R1433 HydrophobicContact CG2-CG 4.36Å; I1429-R1433 WeakPolarHBondContact O-CB 3.4Å; I1429-R1433 WeakPolarHBondContact O-CG 3.36Å; I1429-R1433 PolarHBondContact O-N 2.75Å; R1433-S1435 PolarHBondContact O-N 3.21Å; R1433-S1435 VanDerWaalsContact O-N 3.13Å; R1433-S1436 PolarHBondContact O-N 2.95Å; R1433-S1436 PolarHBondContact O-OG 3.49Å; R1433-D1437 HydrophobicContact CB-CB 4.36Å; R1433-D1437 PolarHBondContact O-N 3.47Å; R1433-I1440 HydrophobicContact CB-CD1 3.37Å; R1433-I1440 HydrophobicContact CG-CD1 4.14Å
1434F52.6Low60.9Low45 Ų4567.2 Ų67.220%0.19735%0.352CS..Hα-helixtrans-55.6-34.4-179.5-165.1-91.6000112.8V1430 N1441 M1444 V1701V1430-F1434 WeakPolarHBondContact O-CB 3.41Å; V1430-F1434 PolarHBondContact O-N 2.95Å; F1434-N1441 WeakPolarHBondContact CD2-OD1 3.4Å; F1434-N1441 WeakPolarHBondContact CE1-OD1 3.04Å; F1434-N1441 WeakPolarHBondContact CE2-OD1 3.01Å; F1434-N1441 VanDerWaalsContact CG-OD1 3.3Å; F1434-N1441 WeakPolarHBondContact CG-OD1 3.39Å; F1434-N1441 VanDerWaalsContact CZ-OD1 3.22Å; F1434-N1441 WeakPolarHBondContact CZ-OD1 3.3Å; F1434-N1441 PolarHBondContact O-ND2 3.18Å; F1434-N1441 PolarHBondContact O-OD1 2.76Å; F1434-M1444 HydrophobicContact CE2-CB 4.25Å; F1434-V1701 HydrophobicContact CD1-CG2 4.25Å; F1434-V1701 HydrophobicContact CE1-CG2 3.55Å; F1434-V1701 HydrophobicContact CZ-CG2 4.32Å
1435S47Very low59.6Low110 Ų11071.4 Ų71.477%0.76937%0.368SS*.THydrogen-bonded Turntrans-72.9-25.3178.964.90000114D1432 R1433D1432-S1435 PolarHBondContact O-OG 3.33Å; R1433-S1435 PolarHBondContact O-N 3.21Å; R1433-S1435 VanDerWaalsContact O-N 3.13Å
1436S54.6Low57.9Low90 Ų9070 Ų7063%0.62937%0.368SS*.THydrogen-bonded Turntrans-115.2-25.6-168.150.10000114.1R1433R1433-S1436 PolarHBondContact O-N 2.95Å; R1433-S1436 PolarHBondContact O-OG 3.49Å
1437D60.5Low56.2Low49 Ų4975.4 Ų75.426%0.26240%0.404SS..  trans-116.6104.9-170.2-162.3-17.5000112.2R1433 E1439 I1440R1433-D1437 HydrophobicContact CB-CB 4.36Å; R1433-D1437 PolarHBondContact O-N 3.47Å; D1437-E1439 PolarHBondContact O-N 2.82Å; D1437-E1439 PolarHBondContact OD1-N 3.46Å; D1437-I1440 HydrophobicContact CB-CD1 4.1Å; D1437-I1440 HydrophobicContact CB-CG1 4.34Å; D1437-I1440 PolarHBondContact O-N 3.21Å
1438P61.2Low55.1Low93 Ų9381.6 Ų81.660%0.60443%0.434SS*.Hα-helixtrans-65.4-22.6-178.827.2-34000113.3I1440 N1441 E1442P1438-I1440 VanDerWaalsContact C-N 3.32Å; P1438-I1440 PolarHBondContact O-N 3.26Å; P1438-N1441 WeakPolarHBondContact O-CB 3.46Å; P1438-N1441 PolarHBondContact O-N 2.63Å; P1438-E1442 PolarHBondContact O-N 3.05Å
1439E62.4Low54.5Low135 Ų13579.2 Ų79.263%0.63143%0.427SS*.Hα-helixtrans-66.9-34.6177.7-66.6-168.2176.700111.9D1437 N1441 E1442 L1443D1437-E1439 PolarHBondContact O-N 2.82Å; D1437-E1439 PolarHBondContact OD1-N 3.46Å; E1439-N1441 VanDerWaalsContact C-N 3.34Å; E1439-E1442 PolarHBondContact O-N 2.76Å; E1439-L1443 PolarHBondContact O-N 3.17Å
1440I60.6Low54.2Low10 Ų1082.8 Ų82.85%0.05144%0.442CS..Hα-helixtrans-70.8-34.3177.2-68174.7000110.7L1362 R1433 D1437 P1438 L1443 M1444L1362-I1440 HydrophobicContact CD2-CD1 4.15Å; L1362-I1440 HydrophobicContact CD2-CG1 4.32Å; R1433-I1440 HydrophobicContact CB-CD1 3.37Å; R1433-I1440 HydrophobicContact CG-CD1 4.14Å; D1437-I1440 HydrophobicContact CB-CD1 4.1Å; D1437-I1440 HydrophobicContact CB-CG1 4.34Å; D1437-I1440 PolarHBondContact O-N 3.21Å; P1438-I1440 VanDerWaalsContact C-N 3.32Å; P1438-I1440 PolarHBondContact O-N 3.26Å; I1440-L1443 WeakPolarHBondContact O-CB 3.41Å; I1440-L1443 PolarHBondContact O-N 3.46Å; I1440-L1443 VanDerWaalsContact O-N 3.16Å; I1440-M1444 HydrophobicContact CG2-CG 4.39Å; I1440-M1444 WeakPolarHBondContact O-CB 3.18Å; I1440-M1444 WeakPolarHBondContact O-CG 3.2Å; I1440-M1444 PolarHBondContact O-N 2.78Å
1441N54.6Low54.8Low52 Ų5284 Ų8428%0.27845%0.45SS..Hα-helixtrans-62.8-43.5174.1-69-20.4000111.3F1434 P1438 E1439 L1443 M1444 K1445F1434-N1441 WeakPolarHBondContact CD2-OD1 3.4Å; F1434-N1441 WeakPolarHBondContact CE1-OD1 3.04Å; F1434-N1441 WeakPolarHBondContact CE2-OD1 3.01Å; F1434-N1441 VanDerWaalsContact CG-OD1 3.3Å; F1434-N1441 WeakPolarHBondContact CG-OD1 3.39Å; F1434-N1441 VanDerWaalsContact CZ-OD1 3.22Å; F1434-N1441 WeakPolarHBondContact CZ-OD1 3.3Å; F1434-N1441 PolarHBondContact O-ND2 3.18Å; F1434-N1441 PolarHBondContact O-OD1 2.76Å; P1438-N1441 WeakPolarHBondContact O-CB 3.46Å; P1438-N1441 PolarHBondContact O-N 2.63Å; E1439-N1441 VanDerWaalsContact C-N 3.34Å; N1441-L1443 VanDerWaalsContact C-N 3.34Å; N1441-M1444 PolarHBondContact O-N 2.91Å; N1441-K1445 WeakPolarHBondContact O-CG 3.36Å; N1441-K1445 PolarHBondContact O-N 3.05Å; N1441-K1445 VanDerWaalsContact O-N 3.14Å
1442E56.8Low55.9Low123 Ų12382 Ų8258%0.57544%0.438SS*.Hα-helixtrans-60-42.2171.1-80.7-77.5139.500111.9P1438 E1439 M1444 K1445P1438-E1442 PolarHBondContact O-N 3.05Å; E1439-E1442 PolarHBondContact O-N 2.76Å; E1442-M1444 VanDerWaalsContact C-N 3.27Å; E1442-M1444 PolarHBondContact O-N 2.84Å; E1442-K1445 PolarHBondContact O-N 2.81Å; E1442-K1445 IonicContact OE1-NZ 3.15Å; E1442-K1445 PolarHBondContact OE1-NZ 2.93Å
1443L53.7Low57.1Low48 Ų4878.3 Ų78.325%0.25142%0.416SS..Hα-helixtrans-63.2-32.1178.7-135.5103.4000112.9L1358 K1361 E1439 I1440 N1441 P1446L1358-L1443 HydrophobicContact CD1-CD2 3.85Å; L1358-L1443 HydrophobicContact CG-CD2 4.04Å; K1361-L1443 HydrophobicContact CD-CD1 4.41Å; E1439-L1443 PolarHBondContact O-N 3.17Å; I1440-L1443 WeakPolarHBondContact O-CB 3.41Å; I1440-L1443 PolarHBondContact O-N 3.46Å; I1440-L1443 VanDerWaalsContact O-N 3.16Å; N1441-L1443 VanDerWaalsContact C-N 3.34Å; L1443-P1446 WeakPolarHBondContact O-CD 3.35Å
1444M50.9Low58.1Low60 Ų6074.3 Ų74.330%0.29640%0.401SS..Hα-helixtrans-92.4-7.9-177.5-74.1-76176.700114.6Y1426 V1430 F1434 I1440 N1441 E1442Y1426-M1444 HydrophobicContact CE1-CE 4.21Å; Y1426-M1444 WeakPolarHBondContact OH-CE 3.32Å; V1430-M1444 HydrophobicContact CB-CE 4.07Å; V1430-M1444 HydrophobicContact CG1-CE 3.46Å; V1430-M1444 VanDerWaalsContact CG1-CE 3.46Å; V1430-M1444 HydrophobicContact CG1-SD 4.49Å; V1430-M1444 HydrophobicContact CG2-CE 3.36Å; F1434-M1444 HydrophobicContact CE2-CB 4.25Å; I1440-M1444 HydrophobicContact CG2-CG 4.39Å; I1440-M1444 WeakPolarHBondContact O-CB 3.18Å; I1440-M1444 WeakPolarHBondContact O-CG 3.2Å; I1440-M1444 PolarHBondContact O-N 2.78Å; N1441-M1444 PolarHBondContact O-N 2.91Å; E1442-M1444 VanDerWaalsContact C-N 3.27Å; E1442-M1444 PolarHBondContact O-N 2.84Å
1445K45.3Very low59.6Low141 Ų14173 Ų7361%0.61340%0.395SS*.  trans-58.4-33.1176.9-85.1175-171.6-1780116.1N1441 E1442 T1447N1441-K1445 WeakPolarHBondContact O-CG 3.36Å; N1441-K1445 PolarHBondContact O-N 3.05Å; N1441-K1445 VanDerWaalsContact O-N 3.14Å; E1442-K1445 PolarHBondContact O-N 2.81Å; E1442-K1445 IonicContact OE1-NZ 3.15Å; E1442-K1445 PolarHBondContact OE1-NZ 2.93Å; K1445-T1447 PolarHBondContact O-N 3.1Å
1446P41.6Very low61.3Low63 Ų6367.9 Ų67.941%0.40936%0.36SS..SBendtrans-69122.5179.725.3-30.5000110.2L1443 Q1448L1443-P1446 WeakPolarHBondContact O-CD 3.35Å; P1446-Q1448 PolarHBondContact O-N 2.92Å
1447T38.7Very low62.5Low140 Ų14065.1 Ų65.186%0.85934%0.337SS*.SBendtrans-57.8-11.7172.131.50000114.1K1445K1445-T1447 PolarHBondContact O-N 3.1Å
1448Q44.3Very low63.3Low162 Ų16263 Ų6376%0.75733%0.325SS*.SBendtrans-97.6115.4173.8-70.6-177.8-6.200109.7P1446 Q1450P1446-Q1448 PolarHBondContact O-N 2.92Å; Q1448-Q1450 PolarHBondContact O-N 3.01Å
1449V49.8Very low64Low55 Ų5560.8 Ų60.833%0.33331%0.307SS..PPolyproline II helixtrans-50.9121.5170.9171.50000109.8P1451 L1500V1449-P1451 WeakPolarHBondContact O-CD 3.48Å; V1449-L1500 HydrophobicContact CG1-CB 4.43Å; V1449-L1500 WeakPolarHBondContact CG1-O 2.87Å; V1449-L1500 VanDerWaalsContact CG2-O 3.25Å; V1449-L1500 WeakPolarHBondContact CG2-O 3.13Å
1450Q59Low64.7Low112 Ų11254.5 Ų54.552%0.52328%0.277SS..PPolyproline II helixtrans-75.1121.3173.2-72.3-172.4-3.100110Q1448Q1448-Q1450 PolarHBondContact O-N 3.01Å
1451P75.6Confident65.1Low35 Ų3554.1 Ų54.123%0.22728%0.276CS..PPolyproline II helixtrans-72141.9178.226.9-32.6000112.1V1449 Y1453 K1497 L1498 E1499V1449-P1451 WeakPolarHBondContact O-CD 3.48Å; P1451-Y1453 HydrophobicContact CB-CE2 4.28Å; P1451-Y1453 HydrophobicContact CG-CE2 3.78Å; P1451-K1497 HydrophobicContact CB-CD 4.47Å; P1451-K1497 HydrophobicContact CB-CG 3.8Å; P1451-L1498 CarbonylContact C-O 3.42Å; P1451-L1498 VanDerWaalsContact CA-O 3.27Å; P1451-L1498 WeakPolarHBondContact CA-O 3.33Å; P1451-E1499 HydrophobicContact CB-CG 3.93Å
1452I80.9Confident65.9Low5 Ų553.2 Ų53.23%0.02627%0.272CS..EExtended strand (participates in β ladder)trans-93.6124.9174.9-56.8177000108.9L1359 F1369 I1454 L1498 L1500L1359-I1452 HydrophobicContact CD1-CG2 4.39Å; L1359-I1452 HydrophobicContact CD2-CD1 4.49Å; F1369-I1452 HydrophobicContact CD1-CD1 4.04Å; F1369-I1452 HydrophobicContact CE1-CD1 3.5Å; F1369-I1452 VanDerWaalsContact CE1-CD1 3.5Å; F1369-I1452 HydrophobicContact CE2-CD1 4.24Å; F1369-I1452 HydrophobicContact CZ-CD1 3.6Å; I1452-I1454 HydrophobicContact CG2-CD1 4.2Å; I1452-I1454 HydrophobicContact CG2-CG1 4.06Å; I1452-L1498 HydrophobicContact CB-CB 4.31Å; I1452-L1498 PolarHBondContact N-O 3.34Å; I1452-L1498 PolarHBondContact O-N 2.79Å; I1452-L1500 HydrophobicContact CD1-CD1 3.64Å; I1452-L1500 HydrophobicContact CD1-CG 4.42Å
1453Y84.6Confident66.3Low32 Ų3250 Ų5013%0.12526%0.259CS..EExtended strand (participates in β ladder)trans-104.8119.8-177.5-63.4-82.5000111.1W1285 V1352 S1355 P1451 F1496 K1497W1285-Y1453 HydrophobicContact CH2-CD1 4.05Å; W1285-Y1453 AromaticContact CZ2-CD1 3.52Å; W1285-Y1453 HydrophobicContact CZ2-CD1 3.52Å; W1285-Y1453 HydrophobicContact CZ2-CE1 4.24Å; W1285-Y1453 HydrophobicContact CZ2-CG 4.45Å; V1352-Y1453 PolarHBondContact N-O 3.32Å; S1355-Y1453 PolarHBondContact OG-N 3.04Å; P1451-Y1453 HydrophobicContact CB-CE2 4.28Å; P1451-Y1453 HydrophobicContact CG-CE2 3.78Å; Y1453-F1496 WeakPolarHBondContact CA-O 3.17Å; Y1453-K1497 HydrophobicContact CD1-CB 4.04Å; Y1453-K1497 HydrophobicContact CD1-CG 4.02Å; Y1453-K1497 HydrophobicContact CE1-CB 3.91Å; Y1453-K1497 HydrophobicContact CE1-CD 3.99Å; Y1453-K1497 HydrophobicContact CE1-CG 3.51Å
1454I86.4Confident66.7Low0 Ų048.7 Ų48.70%026%0.255CS..EExtended strand (participates in β ladder)trans-127.5135.8-177.1-56.6178.5000109.6L1349 A1366 F1369 V1370 I1452 G1495 F1496 L1498L1349-I1454 HydrophobicContact CD2-CG2 4.06Å; A1366-I1454 HydrophobicContact CB-CD1 4.32Å; A1366-I1454 HydrophobicContact CB-CG1 4.48Å; A1366-I1454 HydrophobicContact CB-CG2 4.21Å; F1369-I1454 HydrophobicContact CB-CD1 4.09Å; V1370-I1454 HydrophobicContact CG2-CD1 3.63Å; I1452-I1454 HydrophobicContact CG2-CD1 4.2Å; I1452-I1454 HydrophobicContact CG2-CG1 4.06Å; I1454-G1495 CarbonylContact O-C 3.47Å; I1454-F1496 HydrophobicContact CB-CB 4.5Å; I1454-F1496 PolarHBondContact N-O 3.1Å; I1454-F1496 PolarHBondContact O-N 2.79Å; I1454-L1498 HydrophobicContact CD1-CD1 3.61Å; I1454-L1498 HydrophobicContact CG1-CD1 4.33Å
1455E82.7Confident66.8Low17 Ų1751.7 Ų51.78%0.07928%0.277CS..EExtended strand (participates in β ladder)trans-109.5128.5178.4-172.5176.8162.100110.3W1285 C1286 V1289 L1349 K1350 E1457 S1493 L1494W1285-E1455 HydrophobicContact CZ3-CB 4.41Å; C1286-E1455 PolarHBondContact SG-OE1 3.03Å; V1289-E1455 HydrophobicContact CG2-CG 4.01Å; L1349-E1455 CarbonylContact C-O 3.54Å; L1349-E1455 WeakPolarHBondContact CA-O 3.25Å; K1350-E1455 PolarHBondContact N-O 3.41Å; K1350-E1455 PolarHBondContact O-N 3.2Å; E1455-E1457 HydrophobicContact CG-CG 4.28Å; E1455-S1493 WeakPolarHBondContact OE1-CB 3.32Å; E1455-S1493 PolarHBondContact OE1-OG 3.44Å; E1455-L1494 WeakPolarHBondContact CA-O 3.24Å
1456L83Confident66.8Low4 Ų454.4 Ų54.42%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-100.299.9170.3179.482.1000108.9I1307 V1347 N1348 L1349 L1419 I1458 S1493 L1494 F1496I1307-L1456 HydrophobicContact CD1-CD2 4.46Å; V1347-L1456 HydrophobicContact CG1-CD1 3.43Å; V1347-L1456 VanDerWaalsContact CG1-CD1 3.43Å; V1347-L1456 HydrophobicContact CG1-CG 4.09Å; N1348-L1456 CarbonylContact O-C 3.52Å; N1348-L1456 WeakPolarHBondContact O-CA 3.26Å; L1349-L1456 HydrophobicContact CD2-CB 4.08Å; L1349-L1456 HydrophobicContact CD2-CD1 3.51Å; L1349-L1456 HydrophobicContact CD2-CG 4.44Å; L1349-L1456 HydrophobicContact CG-CD1 4.03Å; L1419-L1456 HydrophobicContact CD1-CD2 4.46Å; L1456-I1458 HydrophobicContact CD2-CD1 4.38Å; L1456-I1458 HydrophobicContact CG-CG1 4.45Å; L1456-S1493 CarbonylContact O-C 3.5Å; L1456-S1493 VanDerWaalsContact O-CA 3.29Å; L1456-S1493 WeakPolarHBondContact O-CA 3.49Å; L1456-L1494 PolarHBondContact N-O 2.81Å; L1456-L1494 PolarHBondContact O-N 3.47Å; L1456-F1496 HydrophobicContact CB-CE2 3.76Å; L1456-F1496 HydrophobicContact CD2-CE2 4.37Å
1457E80.2Confident66.6Low32 Ų3257 Ų5715%0.1531%0.308CS..EExtended strand (participates in β ladder)trans-84128175.3-75.5-178.5174.300110.4V1347 N1348 K1350 E1455 S1493V1347-E1457 CarbonylContact C-O 3.53Å; V1347-E1457 VanDerWaalsContact CA-O 3.27Å; V1347-E1457 WeakPolarHBondContact CA-O 3.41Å; N1348-E1457 HydrophobicContact CB-CB 4.46Å; N1348-E1457 PolarHBondContact N-O 2.88Å; N1348-E1457 PolarHBondContact O-N 3.4Å; K1350-E1457 WeakPolarHBondContact CD-OE1 3.42Å; K1350-E1457 WeakPolarHBondContact CE-OE2 3.33Å; K1350-E1457 IonicContact NZ-OE1 2.74Å; K1350-E1457 PolarHBondContact NZ-OE1 3.16Å; K1350-E1457 IonicContact NZ-OE2 3.51Å; K1350-E1457 PolarHBondContact NZ-OE2 3.35Å; E1455-E1457 HydrophobicContact CG-CG 4.28Å; E1457-S1493 WeakPolarHBondContact CG-OG 3.47Å
1458I77.3Confident66.3Low4 Ų455 Ų552%0.02130%0.3CS..EExtended strand (participates in β ladder)trans-117.3111.9174.9-53.4-177.8000108.5M1235 L1309 L1345 H1346 V1347 L1456 Q1491 I1492M1235-I1458 HydrophobicContact CE-CD1 3.88Å; M1235-I1458 HydrophobicContact SD-CD1 4.42Å; L1309-I1458 HydrophobicContact CD1-CD1 4.28Å; L1345-I1458 HydrophobicContact CD1-CG2 3.82Å; H1346-I1458 CarbonylContact O-C 3.51Å; H1346-I1458 WeakPolarHBondContact O-CA 3.37Å; V1347-I1458 HydrophobicContact CG1-CG1 4.37Å; V1347-I1458 HydrophobicContact CG2-CB 4.43Å; V1347-I1458 HydrophobicContact CG2-CG1 4.07Å; V1347-I1458 HydrophobicContact CG2-CG2 4.1Å; L1456-I1458 HydrophobicContact CD2-CD1 4.38Å; L1456-I1458 HydrophobicContact CG-CG1 4.45Å; I1458-Q1491 WeakPolarHBondContact O-CA 3.26Å; I1458-I1492 PolarHBondContact N-O 3Å; I1458-I1492 PolarHBondContact O-N 3.32Å
1459E76.2Confident66.1Low47 Ų4753.6 Ų53.622%0.2231%0.305CS..EExtended strand (participates in β ladder)trans-102.5130.1173.6178.5168-148.100110.6L1345 H1346 R1490 Q1491L1345-E1459 CarbonylContact C-O 3.54Å; L1345-E1459 VanDerWaalsContact CA-O 3.28Å; L1345-E1459 WeakPolarHBondContact CA-O 3.34Å; H1346-E1459 HydrophobicContact CB-CB 4.22Å; H1346-E1459 PolarHBondContact N-O 2.84Å; H1346-E1459 PolarHBondContact O-N 2.95Å; E1459-R1490 CarbonylContact C-O 3.52Å; E1459-R1490 VanDerWaalsContact CA-O 3.23Å; E1459-R1490 WeakPolarHBondContact CA-O 3.39Å; E1459-Q1491 HydrophobicContact CB-CG 3.81Å; E1459-Q1491 HydrophobicContact CG-CG 3.71Å; E1459-Q1491 PolarHBondContact OE1-NE2 2.99Å; E1459-Q1491 PolarHBondContact OE2-NE2 3.33Å
1460Y77.3Confident65.1Low3 Ų355.6 Ų55.61%0.01232%0.321CS..EExtended strand (participates in β ladder)trans-145.1150.4179.174.2-78.2000113.3P1237 G1238 I1311 L1342 L1344 R1490 I1492P1237-Y1460 HydrophobicContact CB-CD1 4.02Å; P1237-Y1460 HydrophobicContact CB-CE1 3.45Å; P1237-Y1460 VanDerWaalsContact CB-CE1 3.45Å; P1237-Y1460 PolarHBondContact O-OH 3.03Å; G1238-Y1460 WeakPolarHBondContact CA-OH 3.47Å; G1238-Y1460 PolarHBondContact N-OH 3.49Å; I1311-Y1460 HydrophobicContact CD1-CD2 4.04Å; I1311-Y1460 HydrophobicContact CD1-CG 4.17Å; I1311-Y1460 HydrophobicContact CG2-CD2 3.82Å; I1311-Y1460 HydrophobicContact CG2-CE2 3.75Å; L1342-Y1460 HydrophobicContact CD1-CD2 4.09Å; L1344-Y1460 CarbonylContact O-C 3.5Å; L1344-Y1460 WeakPolarHBondContact O-CA 3.43Å; Y1460-R1490 HydrophobicContact CD1-CB 4.13Å; Y1460-R1490 HydrophobicContact CE1-CB 3.68Å; Y1460-R1490 HydrophobicContact CE2-CB 4.49Å; Y1460-R1490 PolarHBondContact N-O 3.45Å; Y1460-R1490 PolarHBondContact O-N 2.76Å; Y1460-R1490 WeakPolarHBondContact OH-CD 3.3Å; Y1460-I1492 HydrophobicContact CE1-CD1 4.23Å
1461A68.7Low63.7Low2 Ų255.4 Ų55.42%0.01733%0.332CS..EExtended strand (participates in β ladder)trans-147133.9177.500000112.4N1343 L1344 A1464 T1489N1343-A1461 PolarHBondContact N-O 3.31Å; N1343-A1461 VanDerWaalsContact N-O 3.08Å; L1344-A1461 HydrophobicContact CB-CB 3.86Å; L1344-A1461 PolarHBondContact N-O 2.89Å; L1344-A1461 PolarHBondContact O-N 3.46Å; A1461-A1464 HydrophobicContact CB-CB 4.12Å; A1461-T1489 HydrophobicContact CB-CG2 3.87Å
1462V70.3Confident61.6Low32 Ų3263.1 Ų63.119%0.19437%0.365CS..EExtended strand (participates in β ladder)trans-96.3122.7175.2-177.60000108.2R1340 N1341 L1342 V1386R1340-V1462 HydrophobicContact CB-CG1 3.48Å; R1340-V1462 VanDerWaalsContact CB-CG1 3.48Å; N1341-V1462 CarbonylContact O-C 3.52Å; N1341-V1462 WeakPolarHBondContact O-CA 3.29Å; L1342-V1462 HydrophobicContact CD1-CG2 4.11Å; V1386-V1462 HydrophobicContact CG2-CG2 4.24Å
1463D66.9Low59Low57 Ų5769.1 Ų69.131%0.30541%0.406SS..SBendtrans56.947.8-176.4-67.7-24000116R1340 N1341 T1465R1340-D1463 WeakPolarHBondContact CA-OD2 3.22Å; R1340-D1463 WeakPolarHBondContact CB-OD2 3.39Å; R1340-D1463 WeakPolarHBondContact CG-OD2 3.25Å; N1341-D1463 PolarHBondContact N-OD1 3.38Å; N1341-D1463 PolarHBondContact O-N 2.87Å; D1463-T1465 PolarHBondContact O-N 2.88Å
1464A60.4Low56.2Low20 Ų2074.4 Ų74.417%0.16544%0.436CS..  trans-67.7125.3169.500000111.4L1344 A1461 K1466L1344-A1464 HydrophobicContact CD1-CB 4.33Å; A1461-A1464 HydrophobicContact CB-CB 4.12Å; A1464-K1466 PolarHBondContact O-N 3.47Å
1465T54Low53.3Low123 Ų12380.2 Ų80.276%0.75547%0.472SS*.  trans-74.2119.7175.346.10000110.1D1463 S1467D1463-T1465 PolarHBondContact O-N 2.88Å; T1465-S1467 PolarHBondContact O-N 2.99Å
1466K44.8Very low50.6Low198 Ų19884.7 Ų84.786%0.86151%0.505SS*.  trans-73.8110.2175-76180178.1175.90109.2A1464 S1468A1464-K1466 PolarHBondContact O-N 3.47Å; K1466-S1468 PolarHBondContact O-N 3.18Å; K1466-S1468 VanDerWaalsContact O-N 3.14Å
1467S37.5Very low47.8Very low117 Ų11789.8 Ų89.882%0.81854%0.541SS*.  trans-64.5110.117055.60000109.9T1465T1465-S1467 PolarHBondContact O-N 2.99Å
1468S33.2Very low45.1Very low99 Ų9993.3 Ų93.369%0.69257%0.57SS**  trans-71.5131.7169.250.50000109.9K1466 S1470K1466-S1468 PolarHBondContact O-N 3.18Å; K1466-S1468 VanDerWaalsContact O-N 3.14Å; S1468-S1470 PolarHBondContact O-N 2.85Å
1469P39.5Very low43Very low132 Ų13299.3 Ų99.386%0.85761%0.609SS**  trans-87.998.1-17733-29.4000110.2
1470S29.5Very low40.5Very low97 Ų97104.6 Ų104.668%0.67864%0.638SS**  trans-162.2133.6164.956.30000114.9S1468S1468-S1470 PolarHBondContact O-N 2.85Å
1471S29.7Very low38.1Very low107 Ų107112 Ų11275%0.74868%0.676SS**  trans70.1108.3148.462.80000120.1C1473S1471-C1473 PolarHBondContact O-N 3.15Å
1472E31.6Very low36.1Very low197 Ų197122.2 Ų122.292%0.92172%0.721SS**  trans-22.9120.2145-61.8170.5163.800113.1
1473C25.6Very low34Very low131 Ų131125.6 Ų125.689%0.88575%0.746SS**  trans-153.1135.3152.9-143.50000111.4S1471S1471-C1473 PolarHBondContact O-N 3.15Å
1474N25.2Very low32.2Very low143 Ų143128.7 Ų128.777%0.76576%0.763SS**  trans-79.2153.1-165.4-75.2-46.4000114.3
1475T25.7Very low30.8Very low122 Ų122136.1 Ų136.175%0.74880%0.8SS**  trans54.3118.2141.3530000121.2
1476S25.2Very low29.9Very low112 Ų112137.8 Ų137.878%0.78380%0.799SS**  trans69.794.3133.766.10000119.7
1477S25Very low29.6Very low110 Ų110130.7 Ų130.777%0.76977%0.774SS**  trans-167.6109.7130.953.10000111.2
1478S24.2Very low30.1Very low107 Ų107131.1 Ų131.175%0.74877%0.767SS**  trans42.8102.815452.90000119.6L1480S1478-L1480 PolarHBondContact O-N 2.87Å
1479P32.1Very low31.1Very low130 Ų130129.9 Ų129.984%0.84476%0.755SS**  trans-90.1100.917333.8-26.1000110.4
1480L24.5Very low32Very low157 Ų157126.7 Ų126.782%0.82273%0.726SS**  trans-132.4123.3162-75.9173.1000108.8S1478S1478-L1480 PolarHBondContact O-N 2.87Å
1481L26.9Very low33.6Very low158 Ų158125.7 Ų125.783%0.82771%0.71SS**SBendtrans8923157.4-66.1160.7000121.5
1482F26Very low35.3Very low218 Ų218122.7 Ų122.796%0.95669%0.686SS**  trans-138.579.3159.8-75.7-79.3000113
1483S25.9Very low37Very low102 Ų102113.4 Ų113.471%0.71364%0.642SS**  trans-151.6120.9165.863.50000105.9
1484N29.1Very low39.3Very low123 Ų123107.6 Ų107.666%0.65860%0.602SS**  cis-157105.337.1-77.8-40.3000108.9Q1486N1484-Q1486 VanDerWaalsContact C-N 3.31Å; N1484-Q1486 HydrophobicContact CB-CG 4.44Å; N1484-Q1486 PolarHBondContact O-N 3.47Å
1485N30.8Very low41.9Very low176 Ų176100.8 Ų100.894%0.94157%0.566SS**  trans-91.573.3157.1-87.8-10.8000107.4S1487N1485-S1487 PolarHBondContact O-N 3.35Å
1486Q35.8Very low44.7Very low157 Ų15795 Ų9573%0.73453%0.53SS*.  trans-72.2113.4169.7-75.9-180-9.800107.8N1484 L1488N1484-Q1486 VanDerWaalsContact C-N 3.31Å; N1484-Q1486 HydrophobicContact CB-CG 4.44Å; N1484-Q1486 PolarHBondContact O-N 3.47Å; Q1486-L1488 PolarHBondContact O-N 2.86Å; Q1486-L1488 VanDerWaalsContact O-N 3.11Å
1487S39.2Very low47.4Very low50 Ų5091.3 Ų91.335%0.3550%0.5SS..  trans-60.7111.4172.8540000109.4N1485 T1489N1485-S1487 PolarHBondContact O-N 3.35Å; S1487-T1489 PolarHBondContact O-N 2.89Å
1488L47.3Very low50.1Low126 Ų12686.2 Ų86.266%0.6646%0.464SS*.  trans-71.394.4-179.9-76.2149.6000110.3Q1486Q1486-L1488 PolarHBondContact O-N 2.86Å; Q1486-L1488 VanDerWaalsContact O-N 3.11Å
1489T54.2Low52.2Low72 Ų7284 Ų8444%0.44244%0.442SS..  trans-67.9132.2163.850.90000109.4A1461 S1487A1461-T1489 HydrophobicContact CB-CG2 3.87Å; S1487-T1489 PolarHBondContact O-N 2.89Å
1490R59Low53.8Low65 Ų6578.2 Ų78.225%0.24540%0.404CS..EExtended strand (participates in β ladder)trans-116.7141-176.5-64.5174.4176.3-145.4-4.5110.3E1314 E1459 Y1460E1314-R1490 VanDerWaalsContact CD-NH2 3.34Å; E1314-R1490 IonicContact OE1-CZ 2.78Å; E1314-R1490 IonicContact OE1-NH1 3.34Å; E1314-R1490 PolarHBondContact OE1-NH1 3.37Å; E1314-R1490 IonicContact OE1-NH2 2.83Å; E1314-R1490 IonicContact OE2-CZ 3.29Å; E1314-R1490 VanDerWaalsContact OE2-CZ 3.32Å; E1314-R1490 IonicContact OE2-NH1 3.13Å; E1314-R1490 PolarHBondContact OE2-NH1 3.2Å; E1314-R1490 IonicContact OE2-NH2 3.66Å; E1314-R1490 PolarHBondContact OE2-NH2 2.96Å; E1459-R1490 CarbonylContact C-O 3.52Å; E1459-R1490 VanDerWaalsContact CA-O 3.23Å; E1459-R1490 WeakPolarHBondContact CA-O 3.39Å; Y1460-R1490 HydrophobicContact CD1-CB 4.13Å; Y1460-R1490 HydrophobicContact CE1-CB 3.68Å; Y1460-R1490 HydrophobicContact CE2-CB 4.49Å; Y1460-R1490 PolarHBondContact N-O 3.45Å; Y1460-R1490 PolarHBondContact O-N 2.76Å; Y1460-R1490 WeakPolarHBondContact OH-CD 3.3Å
1491Q62.9Low54.9Low76 Ų7672.4 Ų72.436%0.35537%0.374SS..EExtended strand (participates in β ladder)trans-130127-179.4-63.3-178.1-5.800109.2I1458 E1459I1458-Q1491 WeakPolarHBondContact O-CA 3.26Å; E1459-Q1491 HydrophobicContact CB-CG 3.81Å; E1459-Q1491 HydrophobicContact CG-CG 3.71Å; E1459-Q1491 PolarHBondContact OE1-NE2 2.99Å; E1459-Q1491 PolarHBondContact OE2-NE2 3.33Å
1492I64.4Low56Low45 Ų4566.9 Ų66.923%0.23135%0.351CS..EExtended strand (participates in β ladder)trans-131.3144.4177.1-66.7171.1000108.1P1237 I1458 Y1460P1237-I1492 HydrophobicContact CB-CD1 3.93Å; I1458-I1492 PolarHBondContact N-O 3Å; I1458-I1492 PolarHBondContact O-N 3.32Å; Y1460-I1492 HydrophobicContact CE1-CD1 4.23Å
1493S68.3Low56.7Low2 Ų257.8 Ų57.81%0.01431%0.314CS..EExtended strand (participates in β ladder)trans-123.6150-179.2-52.60000113.3R1288 V1289 A1290 E1455 L1456 E1457R1288-S1493 PolarHBondContact O-N 3.38Å; V1289-S1493 VanDerWaalsContact CA-O 3.31Å; V1289-S1493 WeakPolarHBondContact CA-O 3.36Å; A1290-S1493 PolarHBondContact N-O 3.46Å; E1455-S1493 WeakPolarHBondContact OE1-CB 3.32Å; E1455-S1493 PolarHBondContact OE1-OG 3.44Å; L1456-S1493 CarbonylContact O-C 3.5Å; L1456-S1493 VanDerWaalsContact O-CA 3.29Å; L1456-S1493 WeakPolarHBondContact O-CA 3.49Å; E1457-S1493 WeakPolarHBondContact CG-OG 3.47Å
1494L74.1Confident57.3Low8 Ų858.6 Ų58.64%0.04231%0.31CS..EExtended strand (participates in β ladder)trans-119.5131.8169.6-175.873.2000109.5M1233 M1235 A1291 E1455 L1456 F1496M1233-L1494 HydrophobicContact SD-CD2 4.31Å; M1235-L1494 HydrophobicContact CE-CB 4.31Å; M1235-L1494 HydrophobicContact CE-CD2 4.5Å; M1235-L1494 HydrophobicContact SD-CD2 4.23Å; A1291-L1494 HydrophobicContact CB-CD1 3.89Å; A1291-L1494 WeakPolarHBondContact O-CD1 3.32Å; E1455-L1494 WeakPolarHBondContact CA-O 3.24Å; L1456-L1494 PolarHBondContact N-O 2.81Å; L1456-L1494 PolarHBondContact O-N 3.47Å; L1494-F1496 HydrophobicContact CD2-CE1 3.88Å; L1494-F1496 HydrophobicContact CD2-CE2 4.3Å; L1494-F1496 HydrophobicContact CD2-CZ 3.52Å; L1494-F1496 HydrophobicContact CG-CE1 4.49Å; L1494-F1496 HydrophobicContact CG-CZ 4.2Å
1495G78.8Confident57.5Low0 Ų059 Ų590%031%0.312CS..EExtended strand (participates in β ladder)trans-94.5142.2178.800000112.5A1291 V1292 L1293 I1454A1291-G1495 PolarHBondContact O-N 2.53Å; V1292-G1495 CarbonylContact C-O 3.6Å; V1292-G1495 VanDerWaalsContact CA-O 3.27Å; V1292-G1495 WeakPolarHBondContact CA-O 3.48Å; L1293-G1495 PolarHBondContact N-O 3.03Å; I1454-G1495 CarbonylContact O-C 3.47Å
1496F84.1Confident57.5Low0 Ų052.1 Ų52.10%028%0.279CS..EExtended strand (participates in β ladder)trans-121.7124.2171.6-59.9-74.2000110W1285 L1293 L1295 L1305 L1419 F1421 Y1453 I1454 L1456 L1494W1285-F1496 VanDerWaalsContact CH2-N 3.34Å; L1293-F1496 HydrophobicContact CB-CD1 3.91Å; L1293-F1496 HydrophobicContact CB-CE1 4.21Å; L1293-F1496 HydrophobicContact CD2-CD1 4Å; L1293-F1496 HydrophobicContact CD2-CE1 3.83Å; L1293-F1496 HydrophobicContact CG-CD1 4.48Å; L1293-F1496 WeakPolarHBondContact O-CA 3Å; L1295-F1496 HydrophobicContact CD1-CD1 4.12Å; L1305-F1496 HydrophobicContact CD2-CE1 4.21Å; L1419-F1496 HydrophobicContact CD1-CE1 4.1Å; L1419-F1496 HydrophobicContact CD1-CE2 3.85Å; L1419-F1496 HydrophobicContact CD1-CZ 3.32Å; F1421-F1496 HydrophobicContact CE1-CD1 4.36Å; F1421-F1496 HydrophobicContact CE1-CG 4.38Å; F1421-F1496 AromaticContact CZ-CD1 3.98Å; F1421-F1496 HydrophobicContact CZ-CD1 3.98Å; F1421-F1496 HydrophobicContact CZ-CE1 4.07Å; F1421-F1496 HydrophobicContact CZ-CG 4.37Å; F1421-F1496 HydrophobicContact CZ-CZ 4.5Å; Y1453-F1496 WeakPolarHBondContact CA-O 3.17Å; I1454-F1496 HydrophobicContact CB-CB 4.5Å; I1454-F1496 PolarHBondContact N-O 3.1Å; I1454-F1496 PolarHBondContact O-N 2.79Å; L1456-F1496 HydrophobicContact CB-CE2 3.76Å; L1456-F1496 HydrophobicContact CD2-CE2 4.37Å; L1494-F1496 HydrophobicContact CD2-CE1 3.88Å; L1494-F1496 HydrophobicContact CD2-CE2 4.3Å; L1494-F1496 HydrophobicContact CD2-CZ 3.52Å; L1494-F1496 HydrophobicContact CG-CE1 4.49Å; L1494-F1496 HydrophobicContact CG-CZ 4.2Å
1497K83.5Confident57.2Low36 Ų3650.8 Ų50.816%0.15729%0.285CS..EExtended strand (participates in β ladder)trans-104.2106.3170-179.8-165.6-179-146.90108.4V1292 L1293 D1294 L1295 P1451 Y1453 E1499V1292-K1497 HydrophobicContact CG1-CB 4.21Å; L1293-K1497 PolarHBondContact O-N 2.99Å; D1294-K1497 WeakPolarHBondContact CA-O 3.33Å; D1294-K1497 WeakPolarHBondContact OD1-CB 3.35Å; D1294-K1497 VanDerWaalsContact OD1-CD 3.25Å; D1294-K1497 WeakPolarHBondContact OD1-CD 3.35Å; D1294-K1497 IonicContact OD2-NZ 3.53Å; L1295-K1497 PolarHBondContact N-O 3.41Å; P1451-K1497 HydrophobicContact CB-CD 4.47Å; P1451-K1497 HydrophobicContact CB-CG 3.8Å; Y1453-K1497 HydrophobicContact CD1-CB 4.04Å; Y1453-K1497 HydrophobicContact CD1-CG 4.02Å; Y1453-K1497 HydrophobicContact CE1-CB 3.91Å; Y1453-K1497 HydrophobicContact CE1-CD 3.99Å; Y1453-K1497 HydrophobicContact CE1-CG 3.51Å; K1497-E1499 VanDerWaalsContact CE-OE1 3.26Å; K1497-E1499 WeakPolarHBondContact CE-OE1 3.45Å; K1497-E1499 IonicContact NZ-OE1 2.75Å; K1497-E1499 PolarHBondContact NZ-OE1 3.4Å
1498L80.5Confident56.8Low2 Ų253.2 Ų53.21%0.0129%0.293CS..EExtended strand (participates in β ladder)trans-99.1116-177.1-70.7159.2000110.8L1295 I1297 V1370 F1421 P1451 I1452 I1454L1295-L1498 HydrophobicContact CB-CD2 3.64Å; L1295-L1498 HydrophobicContact CD1-CD2 3.94Å; L1295-L1498 HydrophobicContact CG-CD2 4.41Å; L1295-L1498 CarbonylContact O-C 3.57Å; L1295-L1498 WeakPolarHBondContact O-CA 3.47Å; I1297-L1498 HydrophobicContact CD1-CD2 3.72Å; I1297-L1498 HydrophobicContact CG1-CD2 4.42Å; V1370-L1498 HydrophobicContact CG2-CD1 3.94Å; F1421-L1498 HydrophobicContact CD1-CD1 3.98Å; F1421-L1498 HydrophobicContact CD1-CD2 3.45Å; F1421-L1498 VanDerWaalsContact CD1-CD2 3.45Å; F1421-L1498 HydrophobicContact CD1-CG 4.29Å; F1421-L1498 HydrophobicContact CE1-CD1 4.15Å; F1421-L1498 HydrophobicContact CE1-CD2 3.82Å; F1421-L1498 HydrophobicContact CE1-CG 4.39Å; F1421-L1498 HydrophobicContact CG-CD2 4.34Å; P1451-L1498 CarbonylContact C-O 3.42Å; P1451-L1498 VanDerWaalsContact CA-O 3.27Å; P1451-L1498 WeakPolarHBondContact CA-O 3.33Å; I1452-L1498 HydrophobicContact CB-CB 4.31Å; I1452-L1498 PolarHBondContact N-O 3.34Å; I1452-L1498 PolarHBondContact O-N 2.79Å; I1454-L1498 HydrophobicContact CD1-CD1 3.61Å; I1454-L1498 HydrophobicContact CG1-CD1 4.33Å
1499E69.3Low55.9Low62 Ų6256.5 Ų56.529%0.2930%0.302SS..EExtended strand (participates in β ladder)trans-100.9112.7175.3-74.5177.7-173.400110.3L1295 T1296 I1297 P1451 K1497L1295-E1499 PolarHBondContact O-N 3Å; T1296-E1499 WeakPolarHBondContact CA-O 3.19Å; T1296-E1499 HydrophobicContact CG2-CB 3.86Å; I1297-E1499 PolarHBondContact N-O 3.34Å; P1451-E1499 HydrophobicContact CB-CG 3.93Å; K1497-E1499 VanDerWaalsContact CE-OE1 3.26Å; K1497-E1499 WeakPolarHBondContact CE-OE1 3.45Å; K1497-E1499 IonicContact NZ-OE1 2.75Å; K1497-E1499 PolarHBondContact NZ-OE1 3.4Å
1500L64.8Low54.6Low7 Ų757.6 Ų57.64%0.03731%0.305CS..EExtended strand (participates in β ladder)trans-91.4101.1179.6-62176.9000111.3I1297 F1369 Y1426 W1427 V1449 I1452I1297-L1500 HydrophobicContact CB-CD2 4.1Å; I1297-L1500 CarbonylContact O-C 3.48Å; I1297-L1500 WeakPolarHBondContact O-CA 3.4Å; F1369-L1500 HydrophobicContact CE1-CD1 3.9Å; Y1426-L1500 HydrophobicContact CD1-CD1 3.61Å; Y1426-L1500 HydrophobicContact CD2-CD1 4.23Å; Y1426-L1500 HydrophobicContact CE1-CD1 3.73Å; Y1426-L1500 HydrophobicContact CE2-CD1 4.31Å; Y1426-L1500 HydrophobicContact CG-CD1 3.87Å; W1427-L1500 HydrophobicContact CZ2-CB 4.33Å; V1449-L1500 HydrophobicContact CG1-CB 4.43Å; V1449-L1500 WeakPolarHBondContact CG1-O 2.87Å; V1449-L1500 VanDerWaalsContact CG2-O 3.25Å; V1449-L1500 WeakPolarHBondContact CG2-O 3.13Å; I1452-L1500 HydrophobicContact CD1-CD1 3.64Å; I1452-L1500 HydrophobicContact CD1-CG 4.42Å
1501L48.7Very low53.1Low36 Ų3657.1 Ų57.119%0.18831%0.311CS..  trans-69.2145.6-173-62.5174.1000112.5I1297 F1298 P1299 W1427I1297-L1501 PolarHBondContact O-N 3.28Å; F1298-L1501 HydrophobicContact CD1-CB 3.96Å; F1298-L1501 HydrophobicContact CD1-CD1 3.9Å; F1298-L1501 HydrophobicContact CE1-CB 4.16Å; F1298-L1501 HydrophobicContact CE1-CD1 3.41Å; F1298-L1501 VanDerWaalsContact CE1-CD1 3.41Å; F1298-L1501 HydrophobicContact CE1-CG 4.43Å; F1298-L1501 HydrophobicContact CE2-CD1 4.2Å; F1298-L1501 HydrophobicContact CG-CD1 4.48Å; F1298-L1501 HydrophobicContact CZ-CD1 3.57Å; P1299-L1501 VanDerWaalsContact CD-O 3.25Å; P1299-L1501 WeakPolarHBondContact CD-O 3.28Å; P1299-L1501 VanDerWaalsContact CG-O 3.26Å; P1299-L1501 WeakPolarHBondContact CG-O 3.05Å; W1427-L1501 WeakPolarHBondContact CZ2-O 3.34Å
1502A48.4Very low51.4Low42 Ų4259.9 Ų59.935%0.34733%0.328SS..  trans-87.1158.1178.900000113.1N1504 L1505A1502-N1504 PolarHBondContact O-N 2.99Å; A1502-N1504 VanDerWaalsContact O-N 3.12Å; A1502-L1505 PolarHBondContact O-N 2.94Å
1503S41.9Very low49.5Very low27 Ų2762.6 Ų62.619%0.18934%0.343CS..G310 helixtrans-63-19.5-172.265.50000115.4L1505 A1506S1503-L1505 PolarHBondContact O-N 3.47Å; S1503-A1506 PolarHBondContact O-N 3.49Å; S1503-A1506 VanDerWaalsContact O-O 3.13Å
1504N37.6Very low47.4Very low118 Ų11868.5 Ų68.563%0.63137%0.372SS*.G310 helixtrans-57-17.5174.3-59.63.1000113.3A1502A1502-N1504 PolarHBondContact O-N 2.99Å; A1502-N1504 VanDerWaalsContact O-N 3.12Å
1505L33.2Very low45.1Very low133 Ų13371.7 Ų71.770%0.69639%0.388SS*.G310 helixtrans-108.93.5176.6-62.7171.9000113A1502 S1503A1502-L1505 PolarHBondContact O-N 2.94Å; S1503-L1505 PolarHBondContact O-N 3.47Å
1506A31.5Very low42.4Very low30 Ų3074.5 Ų74.525%0.24841%0.406CS..SBendtrans-113.2144.6-175.700000111.5S1503S1503-A1506 PolarHBondContact O-N 3.49Å; S1503-A1506 VanDerWaalsContact O-O 3.13Å
1507P29.9Very low39.6Very low130 Ų13080 Ų8084%0.84443%0.43SS*.PPolyproline II helixtrans-70.7137.7178.826.5-32000112.7
1508L29.5Very low36.8Very low101 Ų10186 Ų8653%0.52946%0.458SS..PPolyproline II helixtrans-72.8135.3177.4-67.7167.2000111.4E1703L1508-E1703 VanDerWaalsContact CD2-CD 3.46Å; L1508-E1703 HydrophobicContact CD2-CG 3.46Å; L1508-E1703 VanDerWaalsContact CD2-CG 3.46Å; L1508-E1703 WeakPolarHBondContact CD2-OE1 3.44Å
1509K28.6Very low34.3Very low194 Ų19492.5 Ų92.584%0.84349%0.493SS*.PPolyproline II helixtrans-102120174.5-164178.5-179.5-174.90109.6
1510L26.8Very low32.2Very low96 Ų9697.4 Ų97.450%0.50352%0.516SS..PPolyproline II helixtrans-83.7121.4174.9-72.3161.7000109.4V1552 L1747L1510-V1552 HydrophobicContact CD1-CG2 4.34Å; L1510-L1747 HydrophobicContact CD2-CD2 3.65Å
1511S28.8Very low30.4Very low54 Ų54102.9 Ų102.938%0.37855%0.552SS.*  trans-118.1143.8169.5430000110.5S1748S1511-S1748 PolarHBondContact OG-O 3.08Å
1512D25.9Very low29.4Very low134 Ų134105.1 Ų105.172%0.71757%0.571SS**  trans59.267.6173.2-62.2-17000117.9M1514D1512-M1514 VanDerWaalsContact C-N 3.31Å; D1512-M1514 PolarHBondContact O-N 3.24Å
1513L25.4Very low28.3Very low103 Ų103109.4 Ų109.454%0.53959%0.593SS.*  trans-72.581.1165.5-132.8160.4000109.7L1515L1513-L1515 HydrophobicContact CD2-CD1 3.95Å; L1513-L1515 HydrophobicContact CD2-CD2 4.18Å; L1513-L1515 HydrophobicContact CD2-CG 3.75Å; L1513-L1515 PolarHBondContact O-N 3.13Å
1514M24Very low27.6Very low125 Ų125115.8 Ų115.862%0.61663%0.625SS**  trans-79.199.4173.1-98-170.168.600110.7D1512 T1516D1512-M1514 VanDerWaalsContact C-N 3.31Å; D1512-M1514 PolarHBondContact O-N 3.24Å; M1514-T1516 HydrophobicContact CE-CG2 3.49Å; M1514-T1516 VanDerWaalsContact CE-CG2 3.49Å
1515L25.2Very low27Very low75 Ų75117.7 Ų117.739%0.39363%0.63SS.*  trans-92.493167.3-70162.8000108.6L1513 F1517 W1710L1513-L1515 HydrophobicContact CD2-CD1 3.95Å; L1513-L1515 HydrophobicContact CD2-CD2 4.18Å; L1513-L1515 HydrophobicContact CD2-CG 3.75Å; L1513-L1515 PolarHBondContact O-N 3.13Å; L1515-F1517 HydrophobicContact CB-CE1 4.49Å; L1515-F1517 HydrophobicContact CB-CE2 3.85Å; L1515-F1517 HydrophobicContact CB-CZ 3.75Å; L1515-F1517 HydrophobicContact CD1-CZ 4.35Å; L1515-F1517 HydrophobicContact CG-CZ 4.5Å; L1515-F1517 WeakPolarHBondContact O-CD2 3.16Å; L1515-F1517 WeakPolarHBondContact O-CE2 3.31Å; L1515-W1710 HydrophobicContact CD2-CZ2 3.9Å
1516T23.5Very low26.6Very low59 Ų59121.5 Ų121.536%0.36264%0.636SS.*  trans-89.4114.4172.643.40000109.8M1514 Y1742M1514-T1516 HydrophobicContact CE-CG2 3.49Å; M1514-T1516 VanDerWaalsContact CE-CG2 3.49Å; T1516-Y1742 VanDerWaalsContact O-O 3.14Å
1517F25.3Very low26.3Very low116 Ų116129.9 Ų129.951%0.50966%0.663SS.*  trans-95.9107.3178.3-54.2-81000109.3L1515L1515-F1517 HydrophobicContact CB-CE1 4.49Å; L1515-F1517 HydrophobicContact CB-CE2 3.85Å; L1515-F1517 HydrophobicContact CB-CZ 3.75Å; L1515-F1517 HydrophobicContact CD1-CZ 4.35Å; L1515-F1517 HydrophobicContact CG-CZ 4.5Å; L1515-F1517 WeakPolarHBondContact O-CD2 3.16Å; L1515-F1517 WeakPolarHBondContact O-CE2 3.31Å
1518E24.4Very low26.1Very low162 Ų162131.1 Ų131.176%0.75766%0.662SS**  trans-102.6103170.3-74.8-173.6168.100109.5E1520E1518-E1520 PolarHBondContact O-N 3.03Å
1519D27.2Very low26.3Very low138 Ų138131.3 Ų131.374%0.73867%0.669SS**  trans-83.389.8165.2-76.3-26.1000107.9P1521D1519-P1521 VanDerWaalsContact O-CD 3.26Å; D1519-P1521 WeakPolarHBondContact O-CD 3.35Å
1520E25.9Very low26.1Very low165 Ų165132.2 Ų132.277%0.77167%0.673SS**  trans-71.1117.6169.1-82.8-163.6153.100109.7E1518 S1522E1518-E1520 PolarHBondContact O-N 3.03Å; E1520-S1522 PolarHBondContact O-N 3.18Å
1521P27.3Very low26Very low123 Ų123134.1 Ų134.180%0.79968%0.684SS**  trans-75.793.5175.631.1-30.7000108.4D1519 T1523D1519-P1521 VanDerWaalsContact O-CD 3.26Å; D1519-P1521 WeakPolarHBondContact O-CD 3.35Å; P1521-T1523 PolarHBondContact O-N 3.32Å; P1521-T1523 VanDerWaalsContact O-N 3.07Å
1522S27.2Very low25.8Very low83 Ų83140.5 Ų140.558%0.5871%0.705SS**  trans-66.4110.2179.561.50000110.4E1520 N1524E1520-S1522 PolarHBondContact O-N 3.18Å; S1522-N1524 PolarHBondContact O-N 2.71Å
1523T25.2Very low25.7Very low131 Ų131142.2 Ų142.280%0.80471%0.708SS**  trans-53.2125.5168.839.20000110.3P1521 E1525P1521-T1523 PolarHBondContact O-N 3.32Å; P1521-T1523 VanDerWaalsContact O-N 3.07Å; T1523-E1525 PolarHBondContact O-N 2.84Å
1524N26.5Very low25.5Very low162 Ų162146 Ų14687%0.86673%0.726SS**  trans-54.2103.7177.7-79.3-35000111.7S1522S1522-N1524 PolarHBondContact O-N 2.71Å
1525E25.7Very low25.5Very low158 Ų158147.3 Ų147.374%0.73873%0.733SS**  trans-131.2109.8159-74.3-162.8171.300111.5T1523 Y1527T1523-E1525 PolarHBondContact O-N 2.84Å; E1525-Y1527 PolarHBondContact O-N 3.09Å
1526Y25.3Very low25.3Very low212 Ų212151.8 Ų151.883%0.83175%0.75SS**  trans-48.7117.9167.6-82.7-103.2000111.8
1527Y25.6Very low25.2Very low207 Ų207156.9 Ų156.981%0.81277%0.774SS**  trans-131.9108.2157.8-86-79.8000112.1E1525E1525-Y1527 PolarHBondContact O-N 3.09Å
1528L25Very low25.1Very low155 Ų155160.2 Ų160.281%0.81279%0.789SS**  trans-57153.3168.8-113.291.2000112.1
1529P33.6Very low25Very low106 Ų106155.9 Ų155.969%0.68879%0.787SS**  trans-85.2139.3-165.434.3-33.1000112.9
1530K24.3Very low24.7Very low213 Ų213158.5 Ų158.593%0.92680%0.795SS**  trans-109.3111.3160.1-82-176.3178.2174.50110
1531N25.2Very low24.6Very low135 Ų135160.6 Ų160.672%0.72280%0.801SS**  trans-44.6133.1167.3-75.4-37000113.7
1532K24.6Very low24.3Very low188 Ų188162.7 Ų162.782%0.81780%0.804SS**  174.8120.6119.1-95.4171.8-179.1-177.30113.8
1533Q23.9Very low24.1Very low170 Ų170167.7 Ų167.779%0.79482%0.818SS**  trans64.881.9139.7-69.9175.8-19.400121.1I1535Q1533-I1535 PolarHBondContact O-N 2.78Å
1534M21.1Very low24Very low183 Ų183165.3 Ų165.390%0.90181%0.812SS**  10.699.5122.2-144-178.1-160.100117.6
1535I22.7Very low23.8Very low152 Ų152166 Ų16678%0.77981%0.81SS**  trans-102.3116.2161-65.2174.2000107.9Q1533Q1533-I1535 PolarHBondContact O-N 2.78Å
1536K21.2Very low23.7Very low169 Ų169162.8 Ų162.874%0.73581%0.805SS**  trans-74.4117.7173.2-73.5173.8173.6175.80109.5
1537L22.4Very low23.6Very low167 Ų167157.7 Ų157.787%0.87479%0.788SS**  trans-100.6102.5166.9-82.9155.5000109.6
1538F22.7Very low23.5Very low186 Ų186154.6 Ų154.682%0.81678%0.784SS**  trans-67144.3154.1-79-102.1000107.6
1539G22.2Very low23.4Very low70 Ų70152.1 Ų152.172%0.72278%0.779SS**  cis108.26526.200000110.4
1540E22.2Very low22.9Very low194 Ų194149.9 Ų149.991%0.90778%0.775SS**  trans-127.3130.7166.8-79.5-164.6148.800111.6
1541K22.4Very low23Very low208 Ų208144.9 Ų144.990%0.90477%0.767SS**  trans-91.8129.9-173.5-66.2168.4173.6175.40109.3
1542I21.7Very low22.9Very low168 Ų168143.1 Ų143.186%0.86276%0.761SS**  trans-133.3133166-62.4179.8000109.5
1543Q21.6Very low22.9Very low187 Ų187143 Ų14387%0.87476%0.763SS**  trans-83.5131.9-178-64.2160.5-38.400110
1544A23.7Very low22.9Very low82 Ų82139.5 Ų139.568%0.67875%0.754SS**  trans-156.1136.2157.800000109.2
1545E22.9Very low23Very low176 Ų176139.2 Ų139.282%0.82276%0.755SS**  trans-101.4156.2-163.8-62.4171156.400111.3
1546S22.8Very low23Very low91 Ų91137.7 Ų137.764%0.63675%0.748SS**  trans83.1112.3172.772.40000117.6
1547F23.8Very low23.2Very low105 Ų105132.6 Ų132.646%0.46173%0.734SS.*  trans-127.2140.8-176.4-59.4-73.6000109.2P1690 I1691F1547-P1690 HydrophobicContact CB-CB 4.45Å; F1547-P1690 HydrophobicContact CD1-CB 3.3Å; F1547-P1690 HydrophobicContact CD2-CB 4.14Å; F1547-P1690 HydrophobicContact CE1-CB 3.4Å; F1547-P1690 VanDerWaalsContact CE1-CB 3.4Å; F1547-P1690 HydrophobicContact CE2-CB 4.22Å; F1547-P1690 HydrophobicContact CG-CB 3.7Å; F1547-P1690 HydrophobicContact CZ-CB 3.87Å; F1547-I1691 WeakPolarHBondContact CD1-O 3.14Å
1548L23Very low23.4Very low141 Ų141132.6 Ų132.674%0.73873%0.729SS**  trans-113.8136.5-177.8-126.3139.8000110
1549C24.1Very low23.6Very low104 Ų104129.5 Ų129.570%0.70373%0.726SS**  trans-98.8136.9-163.9-163.50000111.6
1550G23Very low23.7Very low58 Ų58132.4 Ų132.460%0.59872%0.718SS**  trans-135.2137.417300000110.7
1551S24.8Very low23.9Very low109 Ų109129.3 Ų129.376%0.76271%0.707SS**  trans-100.5136.4-179.352.30000111.3
1552V23.1Very low23.9Very low98 Ų98123.2 Ų123.259%0.59469%0.689SS**  trans-110.1110.6170.8178.30000108.3L1510 T1554L1510-V1552 HydrophobicContact CD1-CG2 4.34Å; V1552-T1554 HydrophobicContact CG1-CG2 4.44Å
1553E24.9Very low24.1Very low186 Ų186124 Ų12487%0.86969%0.689SS**  trans-93.6102.3163.9-77.6-179166.800108
1554T24.3Very low24.4Very low96 Ų96118.9 Ų118.959%0.58967%0.667SS**  trans-145.1110.9159.355.70000109.3V1552 L1556V1552-T1554 HydrophobicContact CG1-CG2 4.44Å; T1554-L1556 PolarHBondContact O-N 2.81Å
1555D23.7Very low24.7Very low176 Ų176123.3 Ų123.394%0.94168%0.679SS**  trans-66.185.2161.5-74.4-34000108.3S1557D1555-S1557 PolarHBondContact O-N 3.43Å; D1555-S1557 VanDerWaalsContact O-N 3.12Å
1556L23.2Very low25.3Very low121 Ų121117 Ų11763%0.63465%0.65SS**  trans-65.1112.5172.6-79.5163.6000108.4T1554 F1560T1554-L1556 PolarHBondContact O-N 2.81Å; L1556-F1560 HydrophobicContact CD2-CD2 4.31Å
1557S24.6Very low26.2Very low61 Ų61120.1 Ų120.143%0.42765%0.654SS.*  trans-55.8141.617858.80000111.1D1555 T1559 F1560D1555-S1557 PolarHBondContact O-N 3.43Å; D1555-S1557 VanDerWaalsContact O-N 3.12Å; S1557-T1559 PolarHBondContact O-N 2.83Å; S1557-T1559 PolarHBondContact OG-OG1 3.5Å; S1557-T1559 VanDerWaalsContact OG-OG1 3.07Å; S1557-F1560 PolarHBondContact O-N 2.93Å
1558H27.3Very low27.3Very low168 Ų168117 Ų11778%0.77864%0.644SS**G310 helixtrans-51.8-14.6-176.7-64.8-71.9000115.5L1561H1558-L1561 PolarHBondContact O-N 2.91Å
1559T26.2Very low28.5Very low121 Ų121117 Ų11774%0.74265%0.645SS**G310 helixtrans-73.5-18.6175.3430000114.7S1557 L1561S1557-T1559 PolarHBondContact O-N 2.83Å; S1557-T1559 PolarHBondContact OG-OG1 3.5Å; S1557-T1559 VanDerWaalsContact OG-OG1 3.07Å; T1559-L1561 PolarHBondContact O-N 3.36Å
1560F24.9Very low29.6Very low130 Ų130116.1 Ų116.157%0.5763%0.631SS**G310 helixtrans-82.89.3172.5-75.5-77000113.7L1556 S1557 P1562L1556-F1560 HydrophobicContact CD2-CD2 4.31Å; S1557-F1560 PolarHBondContact O-N 2.93Å; F1560-P1562 VanDerWaalsContact O-CD 3.32Å; F1560-P1562 WeakPolarHBondContact O-CD 2.82Å
1561L25Very low30.8Very low129 Ų129113.9 Ų113.968%0.67561%0.605SS**SBendtrans-102.997.2176.3-66169.6000110.1H1558 T1559H1558-L1561 PolarHBondContact O-N 2.91Å; T1559-L1561 PolarHBondContact O-N 3.36Å
1562P24.1Very low32Very low80 Ų80112 Ų11252%0.51959%0.586SS.*  trans-71.6138.1-177.227.9-31.3000111.5F1560 I1564F1560-P1562 VanDerWaalsContact O-CD 3.32Å; F1560-P1562 WeakPolarHBondContact O-CD 2.82Å; P1562-I1564 PolarHBondContact O-N 2.86Å
1563Q25.6Very low33.4Very low185 Ų185108.5 Ų108.586%0.86456%0.563SS**  trans-61.4121.1179.8-115.9171-10.200111.4
1564I28.2Very low34.6Very low80 Ų80100.9 Ų100.941%0.4153%0.527SS..  trans-93.3105.6176.4-61171.9000108.4P1562 I1566 F1739P1562-I1564 PolarHBondContact O-N 2.86Å; I1564-I1566 HydrophobicContact CG2-CB 4.1Å; I1564-I1566 HydrophobicContact CG2-CD1 3.5Å; I1564-I1566 VanDerWaalsContact CG2-CD1 3.5Å; I1564-I1566 HydrophobicContact CG2-CG1 3.6Å; I1564-I1566 PolarHBondContact O-N 2.94Å; I1564-F1739 HydrophobicContact CD1-CE2 4.33Å
1565L28.7Very low35.9Very low175 Ų17599.1 Ų99.192%0.91651%0.509SS*.  trans-82.475.8172-77.5157.1000109.8
1566I37.1Very low36.8Very low43 Ų4391.7 Ų91.722%0.22147%0.469CS..  trans-124.4121.7170.7-61.4172.5000108.2I1564 P1568 L1571 W1718I1564-I1566 HydrophobicContact CG2-CB 4.1Å; I1564-I1566 HydrophobicContact CG2-CD1 3.5Å; I1564-I1566 VanDerWaalsContact CG2-CD1 3.5Å; I1564-I1566 HydrophobicContact CG2-CG1 3.6Å; I1564-I1566 PolarHBondContact O-N 2.94Å; I1566-P1568 VanDerWaalsContact O-CD 3.32Å; I1566-P1568 WeakPolarHBondContact O-CD 3.16Å; I1566-L1571 HydrophobicContact CG2-CD1 4.11Å; I1566-W1718 HydrophobicContact CG2-CH2 3.57Å; I1566-W1718 HydrophobicContact CG2-CZ3 3.8Å
1567E41.4Very low37.8Very low156 Ų15686.4 Ų86.473%0.72944%0.441SS*.  trans-66.5114.3173.2-76.4-174.9164.800109.8D1569E1567-D1569 VanDerWaalsContact C-N 3.32Å; E1567-D1569 PolarHBondContact O-N 2.89Å
1568P45.3Very low38.8Very low39 Ų3984.9 Ų84.925%0.25343%0.428SS..G310 helixtrans-72.1-18.2-164.124.8-32.3000114.8I1566 H1570 L1571 H1655I1566-P1568 VanDerWaalsContact O-CD 3.32Å; I1566-P1568 WeakPolarHBondContact O-CD 3.16Å; P1568-H1570 PolarHBondContact O-N 3.28Å; P1568-H1570 VanDerWaalsContact O-N 3.08Å; P1568-L1571 PolarHBondContact O-N 3.24Å; P1568-L1571 VanDerWaalsContact O-N 3.07Å; P1568-H1655 HydrophobicContact CG-CB 4.43Å
1569D49.6Very low39.8Very low141 Ų14178.3 Ų78.375%0.75440%0.398SS*.G310 helixtrans-64.6-19.8-173.3-69-7.9000113.5E1567E1567-D1569 VanDerWaalsContact C-N 3.32Å; E1567-D1569 PolarHBondContact O-N 2.89Å
1570H47.2Very low40.6Very low86 Ų8674.6 Ų74.640%0.39837%0.373SS..G310 helixtrans-98.6-8.1178.2-61.6-63.5000114.2P1568 W1718 K1719P1568-H1570 PolarHBondContact O-N 3.28Å; P1568-H1570 VanDerWaalsContact O-N 3.08Å; H1570-W1718 HydrophobicContact CB-CE3 4.02Å; H1570-W1718 HydrophobicContact CB-CZ3 4.5Å; H1570-W1718 CarbonylContact O-C 3.59Å; H1570-W1718 VanDerWaalsContact O-CA 3.28Å; H1570-W1718 WeakPolarHBondContact O-CA 3.41Å; H1570-K1719 PolarHBondContact O-N 2.93Å
1571L47.4Very low41.7Very low12 Ų1271 Ų716%0.06336%0.358CS..EExtended strand (participates in β ladder)trans-92.9108.4-174.7-157112.3000110.9I1566 P1568 Y1574 H1603 I1657 A1716 W1718I1566-L1571 HydrophobicContact CG2-CD1 4.11Å; P1568-L1571 PolarHBondContact O-N 3.24Å; P1568-L1571 VanDerWaalsContact O-N 3.07Å; L1571-Y1574 HydrophobicContact CD2-CD1 3.9Å; L1571-Y1574 HydrophobicContact CD2-CG 4.46Å; L1571-H1603 HydrophobicContact CD2-CB 4.16Å; L1571-I1657 HydrophobicContact CD2-CD1 4.02Å; L1571-A1716 HydrophobicContact CD1-CB 3.84Å; L1571-W1718 HydrophobicContact CD1-CE3 4.41Å; L1571-W1718 HydrophobicContact CD1-CH2 3.98Å; L1571-W1718 HydrophobicContact CD1-CZ2 4.16Å; L1571-W1718 HydrophobicContact CD1-CZ3 4.09Å
1572L51.2Low42.8Very low68 Ų6867.3 Ų67.336%0.35634%0.338SS..EExtended strand (participates in β ladder)trans-86.6-48.2-174.6-125.3157.9000111.2R1717 K1719L1572-R1717 WeakPolarHBondContact CB-O 2.94Å; L1572-R1717 PolarHBondContact N-O 2.75Å; L1572-K1719 HydrophobicContact CD1-CB 3.7Å; L1572-K1719 HydrophobicContact CD1-CD 4.14Å; L1572-K1719 HydrophobicContact CD1-CG 3.58Å; L1572-K1719 HydrophobicContact CG-CB 4.35Å; L1572-K1719 HydrophobicContact CG-CD 4.5Å; L1572-K1719 HydrophobicContact CG-CG 4.39Å
1573H51.8Low43.8Very low25 Ų2565.6 Ų65.612%0.11632%0.324CS..EExtended strand (participates in β ladder)trans-149.2150.9179.1-55.672.9000110.8W1600 L1601 F1602 R1717H1573-W1600 HydrophobicContact CB-CB 4.34Å; H1573-W1600 HydrophobicContact CB-CE3 3.75Å; H1573-L1601 CarbonylContact C-O 3.55Å; H1573-L1601 VanDerWaalsContact CA-O 3.23Å; H1573-L1601 WeakPolarHBondContact CA-O 3.21Å; H1573-F1602 AromaticContact CD2-CD1 3.71Å; H1573-F1602 AromaticContact CD2-CD2 3.78Å; H1573-F1602 AromaticContact CD2-CE1 3.75Å; H1573-F1602 AromaticContact CD2-CE2 3.79Å; H1573-F1602 AromaticContact CD2-CG 3.75Å; H1573-F1602 AromaticContact CD2-CZ 3.79Å; H1573-F1602 AromaticContact CE1-CD1 3.8Å; H1573-F1602 AromaticContact CE1-CE1 3.39Å; H1573-F1602 WeakPolarHBondContact CE1-CE1 3.32Å; H1573-F1602 AromaticContact CE1-CZ 3.83Å; H1573-F1602 AromaticContact NE2-CD1 3.32Å; H1573-F1602 VanDerWaalsContact NE2-CD1 3.32Å; H1573-F1602 WeakPolarHBondContact NE2-CD1 3.08Å; H1573-F1602 AromaticContact NE2-CD2 3.81Å; H1573-F1602 AromaticContact NE2-CE1 2.89Å; H1573-F1602 WeakPolarHBondContact NE2-CE1 3.45Å; H1573-F1602 AromaticContact NE2-CE2 3.41Å; H1573-F1602 WeakPolarHBondContact NE2-CE2 3.33Å; H1573-F1602 AromaticContact NE2-CG 3.78Å; H1573-F1602 AromaticContact NE2-CZ 2.94Å; H1573-F1602 WeakPolarHBondContact NE2-CZ 3.39Å; H1573-R1717 HydrophobicContact CB-CB 4.3Å; H1573-R1717 PolarHBondContact N-O 3.31Å; H1573-R1717 PolarHBondContact O-N 3.24Å
1574Y50.4Low44.7Very low26 Ų2660.5 Ų60.510%0.10230%0.297CS..EExtended strand (participates in β ladder)trans-134.7156.7171.867-84.2000111.7L1571 W1600 L1601 I1657 L1659 L1715L1571-Y1574 HydrophobicContact CD2-CD1 3.9Å; L1571-Y1574 HydrophobicContact CD2-CG 4.46Å; Y1574-W1600 CarbonylContact O-C 3.6Å; Y1574-W1600 WeakPolarHBondContact O-CA 3.3Å; Y1574-L1601 HydrophobicContact CE1-CB 4.05Å; Y1574-L1601 HydrophobicContact CE2-CB 4.19Å; Y1574-L1601 HydrophobicContact CE2-CD1 3.92Å; Y1574-L1601 PolarHBondContact N-O 2.82Å; Y1574-L1601 PolarHBondContact O-N 2.81Å; Y1574-I1657 HydrophobicContact CD1-CG2 4.43Å; Y1574-I1657 HydrophobicContact CE1-CG2 3.79Å; Y1574-I1657 HydrophobicContact CE2-CG2 3.89Å; Y1574-I1657 VanDerWaalsContact CZ-CG2 3.48Å; Y1574-L1659 HydrophobicContact CE2-CD2 4.31Å; Y1574-L1715 CarbonylContact C-O 3.53Å; Y1574-L1715 VanDerWaalsContact CA-O 3.26Å; Y1574-L1715 WeakPolarHBondContact CA-O 3.39Å
1575R51.3Low45.5Very low60 Ų6059 Ų5923%0.22629%0.293CS..EExtended strand (participates in β ladder)trans-143.4157.9170.476169.6-171.7-162.90.9111.5E1577 S1598 W1600 V1714 L1715R1575-E1577 IonicContact CZ-OE1 3.17Å; R1575-E1577 IonicContact NE-OE1 3.99Å; R1575-E1577 PolarHBondContact NE-OE1 2.98Å; R1575-E1577 IonicContact NH2-OE1 2.59Å; R1575-E1577 PolarHBondContact NH2-OE1 2.89Å; R1575-S1598 WeakPolarHBondContact CA-OG 3.28Å; R1575-S1598 WeakPolarHBondContact CB-OG 3.41Å; R1575-W1600 HydrophobicContact CB-CD2 4.07Å; R1575-W1600 HydrophobicContact CB-CE3 4.12Å; R1575-W1600 HydrophobicContact CB-CG 4.46Å; R1575-W1600 HydrophobicContact CB-CZ3 4.43Å; R1575-W1600 HydrophobicContact CG-CD2 4.06Å; R1575-W1600 HydrophobicContact CG-CE3 4.2Å; R1575-W1600 HydrophobicContact CG-CH2 3.9Å; R1575-W1600 HydrophobicContact CG-CZ2 3.74Å; R1575-W1600 HydrophobicContact CG-CZ3 4.14Å; R1575-V1714 WeakPolarHBondContact O-CA 2.89Å; R1575-L1715 HydrophobicContact CG-CB 3.92Å; R1575-L1715 HydrophobicContact CG-CD1 4.27Å; R1575-L1715 PolarHBondContact N-O 3.34Å; R1575-L1715 PolarHBondContact O-N 3.19Å
1576L41.9Very low46.1Very low19 Ų1956.7 Ų56.710%0.09928%0.282CS..EExtended strand (participates in β ladder)trans-118.7131.6-177.4-160.1145.3000109.7I1578 I1597 S1598 L1659 R1713 V1714 F1739L1576-I1578 HydrophobicContact CD2-CD1 3.78Å; L1576-I1578 HydrophobicContact CD2-CG1 3.43Å; L1576-I1578 VanDerWaalsContact CD2-CG1 3.43Å; L1576-I1597 CarbonylContact O-C 3.14Å; L1576-S1598 PolarHBondContact N-OG 3.31Å; L1576-S1598 PolarHBondContact O-N 2.73Å; L1576-L1659 HydrophobicContact CD1-CD1 3.82Å; L1576-R1713 CarbonylContact C-O 3.59Å; L1576-R1713 WeakPolarHBondContact CA-O 3.31Å; L1576-V1714 HydrophobicContact CB-CG2 4.32Å; L1576-V1714 HydrophobicContact CD1-CG2 3.7Å; L1576-V1714 HydrophobicContact CG-CG2 3.85Å; L1576-F1739 HydrophobicContact CD1-CE1 4.05Å
1577E44.8Very low46.1Very low10 Ų1060.6 Ų60.65%0.04730%0.299CS..EExtended strand (participates in β ladder)trans-116.3134.3176.6-50.3-169.6161.800109.1R1575 L1596 I1597 S1712 R1713 L1715R1575-E1577 IonicContact CZ-OE1 3.17Å; R1575-E1577 IonicContact NE-OE1 3.99Å; R1575-E1577 PolarHBondContact NE-OE1 2.98Å; R1575-E1577 IonicContact NH2-OE1 2.59Å; R1575-E1577 PolarHBondContact NH2-OE1 2.89Å; E1577-L1596 CarbonylContact C-O 3.52Å; E1577-L1596 WeakPolarHBondContact CA-O 3.26Å; E1577-I1597 HydrophobicContact CB-CG1 4.08Å; E1577-I1597 HydrophobicContact CG-CB 4.29Å; E1577-I1597 HydrophobicContact CG-CD1 4.38Å; E1577-I1597 HydrophobicContact CG-CG1 3.81Å; E1577-I1597 HydrophobicContact CG-CG2 3.96Å; E1577-S1712 CarbonylContact O-C 3.44Å; E1577-S1712 VanDerWaalsContact O-CA 3.23Å; E1577-S1712 WeakPolarHBondContact O-CA 3.43Å; E1577-R1713 HydrophobicContact CB-CG 3.78Å; E1577-R1713 HydrophobicContact CG-CG 4.41Å; E1577-R1713 PolarHBondContact N-O 2.77Å; E1577-R1713 PolarHBondContact O-N 2.81Å; E1577-R1713 IonicContact OE2-CZ 2.81Å; E1577-R1713 IonicContact OE2-NE 2.75Å; E1577-R1713 PolarHBondContact OE2-NE 3.28Å; E1577-R1713 IonicContact OE2-NH2 3.8Å; E1577-R1713 PolarHBondContact OE2-NH2 2.94Å; E1577-L1715 VanDerWaalsContact CD-CD1 3.45Å; E1577-L1715 HydrophobicContact CG-CD1 4.03Å; E1577-L1715 WeakPolarHBondContact OE1-CD1 3.32Å
1578I44.6Very low46Very low30 Ų3062.5 Ų62.515%0.15431%0.308CS..EExtended strand (participates in β ladder)trans-125.1120177.9-51.9-176.9000108.3L1576 L1580 Q1595 L1596 F1664 Y1711L1576-I1578 HydrophobicContact CD2-CD1 3.78Å; L1576-I1578 HydrophobicContact CD2-CG1 3.43Å; L1576-I1578 VanDerWaalsContact CD2-CG1 3.43Å; I1578-L1580 HydrophobicContact CG2-CG 4.41Å; I1578-Q1595 CarbonylContact O-C 3.4Å; I1578-Q1595 WeakPolarHBondContact O-CA 3.48Å; I1578-L1596 HydrophobicContact CB-CB 4.34Å; I1578-L1596 PolarHBondContact N-O 3.18Å; I1578-L1596 PolarHBondContact O-N 3.08Å; I1578-F1664 HydrophobicContact CD1-CE2 4.06Å; I1578-F1664 HydrophobicContact CD1-CZ 3.69Å; I1578-Y1711 CarbonylContact C-O 3.49Å; I1578-Y1711 WeakPolarHBondContact CA-O 3.36Å
1579E48.8Very low45.7Very low29 Ų2968.4 Ų68.414%0.13633%0.333CS..EExtended strand (participates in β ladder)trans-102.2128174-37.4-158175.300109.9P1593 V1594 Q1595 W1710 Y1711 R1713E1579-P1593 HydrophobicContact CB-CB 4.02Å; E1579-V1594 CarbonylContact C-O 3.53Å; E1579-V1594 WeakPolarHBondContact CA-O 3.17Å; E1579-Q1595 HydrophobicContact CB-CG 3.97Å; E1579-Q1595 HydrophobicContact CG-CG 3.67Å; E1579-Q1595 PolarHBondContact OE1-NE2 3.11Å; E1579-Q1595 PolarHBondContact OE2-NE2 3.27Å; E1579-W1710 CarbonylContact O-C 3.55Å; E1579-W1710 VanDerWaalsContact O-CA 3.23Å; E1579-W1710 WeakPolarHBondContact O-CA 3.02Å; E1579-Y1711 PolarHBondContact N-O 3.21Å; E1579-Y1711 PolarHBondContact O-N 3.05Å; E1579-R1713 IonicContact OE1-CZ 3.62Å; E1579-R1713 IonicContact OE1-NH1 3.16Å; E1579-R1713 PolarHBondContact OE1-NH1 3.18Å; E1579-R1713 IonicContact OE1-NH2 3.83Å; E1579-R1713 PolarHBondContact OE1-NH2 3.06Å
1580L44.4Very low45.3Very low44 Ų4465.7 Ų65.723%0.2332%0.324CS..EExtended strand (participates in β ladder)trans-114.4118.9-178.7-69160.9000110.3I1578 P1593 V1594 L1596 I1708 F1709 W1710I1578-L1580 HydrophobicContact CG2-CG 4.41Å; L1580-P1593 CarbonylContact O-C 3.57Å; L1580-P1593 WeakPolarHBondContact O-CA 3.48Å; L1580-V1594 HydrophobicContact CB-CB 4.28Å; L1580-V1594 PolarHBondContact N-O 3.33Å; L1580-V1594 PolarHBondContact O-N 3.25Å; L1580-L1596 HydrophobicContact CD1-CD1 3.68Å; L1580-L1596 HydrophobicContact CD1-CG 4.46Å; L1580-I1708 HydrophobicContact CD2-CG2 4.49Å; L1580-F1709 CarbonylContact C-O 3.45Å; L1580-F1709 WeakPolarHBondContact CA-O 3.41Å; L1580-W1710 HydrophobicContact CD2-CB 3.43Å; L1580-W1710 VanDerWaalsContact CD2-CB 3.43Å; L1580-W1710 HydrophobicContact CD2-CG 4.49Å; L1580-W1710 HydrophobicContact CG-CB 4.44Å
1581E47.5Very low45.1Very low55 Ų5568.7 Ų68.726%0.25734%0.336SS..EExtended strand (participates in β ladder)trans-108.1128.5176-66.9-172.1152.700111.3P1593 F1709E1581-P1593 HydrophobicContact CG-CB 3.49Å; E1581-P1593 VanDerWaalsContact CG-CB 3.49Å; E1581-P1593 HydrophobicContact CG-CG 3.85Å; E1581-P1593 WeakPolarHBondContact OE1-CG 3.26Å; E1581-F1709 HydrophobicContact CB-CB 4.21Å; E1581-F1709 PolarHBondContact N-O 2.77Å; E1581-F1709 PolarHBondContact O-N 3.18Å
1582E47.5Very low44.9Very low51 Ų5173 Ų7324%0.23837%0.367CS..EExtended strand (participates in β ladder)trans-106.1127.1179-64.1176.7178.200110.7I1708E1582-I1708 HydrophobicContact CG-CG1 4.49Å
1583N44.4Very low44.9Very low44 Ų4471.5 Ų71.524%0.23536%0.362CS..EExtended strand (participates in β ladder)trans-129.5137.7175.3-76.2-28.4000111.2S1590 K1707 F1709N1583-S1590 WeakPolarHBondContact OD1-CA 3.46Å; N1583-S1590 WeakPolarHBondContact OD1-CB 3.49Å; N1583-K1707 PolarHBondContact N-O 2.81Å; N1583-K1707 CarbonylContact O-C 3.49Å; N1583-K1707 WeakPolarHBondContact O-CA 3.47Å; N1583-K1707 WeakPolarHBondContact O-CB 3.3Å; N1583-K1707 PolarHBondContact O-N 2.77Å; N1583-F1709 HydrophobicContact CB-CD2 4.47Å; N1583-F1709 HydrophobicContact CB-CE2 4.07Å
1584W45.5Very low44.5Very low78 Ų7874.1 Ų74.130%0.29538%0.379SS..EExtended strand (participates in β ladder)trans-90.7136.1171.4-69.272.5000109.1N1586 Q1587 L1702 N1705 I1706W1584-N1586 PolarHBondContact O-N 2.78Å; W1584-Q1587 HydrophobicContact CB-CB 4.22Å; W1584-Q1587 PolarHBondContact O-N 2.93Å; W1584-Q1587 VanDerWaalsContact O-N 3.16Å; W1584-L1702 HydrophobicContact CH2-CD2 3.81Å; W1584-L1702 HydrophobicContact CZ3-CD2 4.36Å; W1584-N1705 CarbonylContact C-O 3.52Å; W1584-N1705 WeakPolarHBondContact CA-O 3.45Å; W1584-N1705 HydrophobicContact CE3-CB 4.2Å; W1584-I1706 HydrophobicContact CD2-CG1 4.14Å; W1584-I1706 HydrophobicContact CE3-CG1 3.89Å; W1584-I1706 HydrophobicContact CH2-CD1 3.66Å; W1584-I1706 HydrophobicContact CH2-CG1 3.75Å; W1584-I1706 HydrophobicContact CZ2-CD1 3.9Å; W1584-I1706 HydrophobicContact CZ2-CG1 3.97Å; W1584-I1706 HydrophobicContact CZ3-CD1 4.08Å; W1584-I1706 HydrophobicContact CZ3-CG1 3.7Å
1585S44.8Very low44.2Very low48 Ų4877.6 Ų77.634%0.33640%0.396SS..THydrogen-bonded Turntrans-51-32.8177.853.70000112.8N1705S1585-N1705 PolarHBondContact N-O 3.1Å; S1585-N1705 VanDerWaalsContact OG-CA 3.24Å; S1585-N1705 WeakPolarHBondContact OG-CA 3.42Å; S1585-N1705 VanDerWaalsContact OG-CB 3.22Å; S1585-N1705 WeakPolarHBondContact OG-CB 3.34Å; S1585-N1705 VanDerWaalsContact OG-CG 3.31Å; S1585-N1705 PolarHBondContact OG-O 3.06Å; S1585-N1705 PolarHBondContact OG-OD1 3.22Å
1586N42.1Very low43.7Very low126 Ų12678.1 Ų78.167%0.67440%0.403SS*.THydrogen-bonded Turntrans-104.12.1-174.1-61.3-18000114.5W1584 N1705W1584-N1586 PolarHBondContact O-N 2.78Å; N1586-N1705 PolarHBondContact ND2-OD1 2.63Å
1587Q36Very low43.7Very low125 Ų12580.5 Ų80.558%0.58442%0.415SS*.BIsolated β-bridgetrans-132119.7178.8-65.6-172-8.600112.1W1584 Q1589W1584-Q1587 HydrophobicContact CB-CB 4.22Å; W1584-Q1587 PolarHBondContact O-N 2.93Å; W1584-Q1587 VanDerWaalsContact O-N 3.16Å; Q1587-Q1589 PolarHBondContact O-N 2.89Å
1588Q40Very low43.6Very low197 Ų19780.7 Ų80.792%0.92142%0.418SS*.  trans-76.89.5-179.5-73.2-175.2-19.800115S1590Q1588-S1590 PolarHBondContact O-N 3.37Å
1589Q38.2Very low43.4Very low163 Ų16382.7 Ų82.776%0.76243%0.433SS*.  trans-96.496.2178.8-71.6-1753.400110.9Q1587Q1587-Q1589 PolarHBondContact O-N 2.89Å
1590S42.3Very low43.3Very low83 Ų8384 Ų8458%0.5844%0.437SS*.PPolyproline II helixtrans-71.5124.8172.957.50000110.9N1583 Q1588N1583-S1590 WeakPolarHBondContact OD1-CA 3.46Å; N1583-S1590 WeakPolarHBondContact OD1-CB 3.49Å; Q1588-S1590 PolarHBondContact O-N 3.37Å
1591K41.6Very low43.2Very low150 Ų15084.3 Ų84.365%0.65244%0.438SS*.PPolyproline II helixtrans-79.5157.8169.9-72.2-179.5-179.8174.40110.3
1592S43.2Very low43.2Very low102 Ų10288.3 Ų88.371%0.71346%0.455SS*.PPolyproline II helixtrans-59.1134.9177.554.50000111.7V1594S1592-V1594 PolarHBondContact O-N 3.03Å
1593P51.2Low43.1Very low37 Ų3788 Ų8824%0.2445%0.454CS..PPolyproline II helixtrans-54.1136.7178.66.5-18.5000113.2E1579 L1580 E1581 Q1595E1579-P1593 HydrophobicContact CB-CB 4.02Å; L1580-P1593 CarbonylContact O-C 3.57Å; L1580-P1593 WeakPolarHBondContact O-CA 3.48Å; E1581-P1593 HydrophobicContact CG-CB 3.49Å; E1581-P1593 VanDerWaalsContact CG-CB 3.49Å; E1581-P1593 HydrophobicContact CG-CG 3.85Å; E1581-P1593 WeakPolarHBondContact OE1-CG 3.26Å; P1593-Q1595 PolarHBondContact O-N 3.13Å
1594V43.5Very low42.9Very low80 Ų8091.5 Ų91.549%0.48548%0.476SS..EExtended strand (participates in β ladder)trans-78.6107.8169.3179.10000108.4E1579 L1580 S1592E1579-V1594 CarbonylContact C-O 3.53Å; E1579-V1594 WeakPolarHBondContact CA-O 3.17Å; L1580-V1594 HydrophobicContact CB-CB 4.28Å; L1580-V1594 PolarHBondContact N-O 3.33Å; L1580-V1594 PolarHBondContact O-N 3.25Å; S1592-V1594 PolarHBondContact O-N 3.03Å
1595Q45.6Very low42.5Very low98 Ų9891.4 Ų91.446%0.45849%0.488SS..EExtended strand (participates in β ladder)trans-90.7118.4177.9-62.7-173.7-5.100111.7I1578 E1579 P1593I1578-Q1595 CarbonylContact O-C 3.4Å; I1578-Q1595 WeakPolarHBondContact O-CA 3.48Å; E1579-Q1595 HydrophobicContact CB-CG 3.97Å; E1579-Q1595 HydrophobicContact CG-CG 3.67Å; E1579-Q1595 PolarHBondContact OE1-NE2 3.11Å; E1579-Q1595 PolarHBondContact OE2-NE2 3.27Å; P1593-Q1595 PolarHBondContact O-N 3.13Å
1596L39.7Very low41.8Very low71 Ų7194.5 Ų94.537%0.37251%0.508SS..EExtended strand (participates in β ladder)trans-102.9116173.5-62.6171.6000109.2E1577 I1578 L1580E1577-L1596 CarbonylContact C-O 3.52Å; E1577-L1596 WeakPolarHBondContact CA-O 3.26Å; I1578-L1596 HydrophobicContact CB-CB 4.34Å; I1578-L1596 PolarHBondContact N-O 3.18Å; I1578-L1596 PolarHBondContact O-N 3.08Å; L1580-L1596 HydrophobicContact CD1-CD1 3.68Å; L1580-L1596 HydrophobicContact CD1-CG 4.46Å
1597I41.8Very low41.2Very low69 Ų6996.2 Ų96.235%0.35451%0.512SS..EExtended strand (participates in β ladder)trans-117.6124.8-174.8-60.3175.4000109.5L1576 E1577 L1667L1576-I1597 CarbonylContact O-C 3.14Å; E1577-I1597 HydrophobicContact CB-CG1 4.08Å; E1577-I1597 HydrophobicContact CG-CB 4.29Å; E1577-I1597 HydrophobicContact CG-CD1 4.38Å; E1577-I1597 HydrophobicContact CG-CG1 3.81Å; E1577-I1597 HydrophobicContact CG-CG2 3.96Å; I1597-L1667 WeakPolarHBondContact O-CD1 3.39Å
1598S43.6Very low41Very low14 Ų1496.3 Ų96.310%0.09852%0.524CS..  trans-68.6151.9172.591.20000111.8R1575 L1576R1575-S1598 WeakPolarHBondContact CA-OG 3.28Å; R1575-S1598 WeakPolarHBondContact CB-OG 3.41Å; L1576-S1598 PolarHBondContact N-OG 3.31Å; L1576-S1598 PolarHBondContact O-N 2.73Å
1599P39.1Very low40.5Very low73 Ų7393.2 Ų93.247%0.47452%0.518SS..  trans-63.4161.4165.729.5-34.3000109.5L1601 L1667P1599-L1601 PolarHBondContact O-N 3.35Å; P1599-L1667 HydrophobicContact CG-CD1 4.31Å
1600W47.4Very low40Very low55 Ų5592.9 Ų92.921%0.20852%0.522CS..  trans-66.2113.5170-72.699.2000109.3H1573 Y1574 R1575 L1715 R1717 L1733H1573-W1600 HydrophobicContact CB-CB 4.34Å; H1573-W1600 HydrophobicContact CB-CE3 3.75Å; Y1574-W1600 CarbonylContact O-C 3.6Å; Y1574-W1600 WeakPolarHBondContact O-CA 3.3Å; R1575-W1600 HydrophobicContact CB-CD2 4.07Å; R1575-W1600 HydrophobicContact CB-CE3 4.12Å; R1575-W1600 HydrophobicContact CB-CG 4.46Å; R1575-W1600 HydrophobicContact CB-CZ3 4.43Å; R1575-W1600 HydrophobicContact CG-CD2 4.06Å; R1575-W1600 HydrophobicContact CG-CE3 4.2Å; R1575-W1600 HydrophobicContact CG-CH2 3.9Å; R1575-W1600 HydrophobicContact CG-CZ2 3.74Å; R1575-W1600 HydrophobicContact CG-CZ3 4.14Å; W1600-L1715 HydrophobicContact CH2-CB 3.75Å; W1600-L1715 HydrophobicContact CZ2-CB 4.38Å; W1600-L1715 HydrophobicContact CZ3-CB 4.5Å; W1600-L1715 VanDerWaalsContact CZ3-O 3.25Å; W1600-L1715 WeakPolarHBondContact CZ3-O 3.23Å; W1600-R1717 HydrophobicContact CE3-CG 4.1Å; W1600-R1717 HydrophobicContact CH2-CG 3.8Å; W1600-R1717 HydrophobicContact CZ2-CG 4.36Å; W1600-R1717 HydrophobicContact CZ3-CB 4.21Å; W1600-R1717 HydrophobicContact CZ3-CG 3.63Å; W1600-L1733 HydrophobicContact CH2-CD2 3.16Å; W1600-L1733 HydrophobicContact CZ2-CD2 3.17Å; W1600-L1733 HydrophobicContact CZ3-CD2 4.36Å
1601L42.8Very low39.2Very low51 Ų5196.8 Ų96.827%0.26754%0.536SS..EExtended strand (participates in β ladder)trans-91.8131.8176.3-64.8171000109H1573 Y1574 P1599 L1659H1573-L1601 CarbonylContact C-O 3.55Å; H1573-L1601 VanDerWaalsContact CA-O 3.23Å; H1573-L1601 WeakPolarHBondContact CA-O 3.21Å; Y1574-L1601 HydrophobicContact CE1-CB 4.05Å; Y1574-L1601 HydrophobicContact CE2-CB 4.19Å; Y1574-L1601 HydrophobicContact CE2-CD1 3.92Å; Y1574-L1601 PolarHBondContact N-O 2.82Å; Y1574-L1601 PolarHBondContact O-N 2.81Å; P1599-L1601 PolarHBondContact O-N 3.35Å; L1601-L1659 HydrophobicContact CD1-CD2 4.48Å
1602F47.6Very low38.5Very low139 Ų13995 Ų9561%0.6154%0.543SS*.EExtended strand (participates in β ladder)trans-72.3135.5172.6-79-95.6000109.6H1573 V1604H1573-F1602 AromaticContact CD2-CD1 3.71Å; H1573-F1602 AromaticContact CD2-CD2 3.78Å; H1573-F1602 AromaticContact CD2-CE1 3.75Å; H1573-F1602 AromaticContact CD2-CE2 3.79Å; H1573-F1602 AromaticContact CD2-CG 3.75Å; H1573-F1602 AromaticContact CD2-CZ 3.79Å; H1573-F1602 AromaticContact CE1-CD1 3.8Å; H1573-F1602 AromaticContact CE1-CE1 3.39Å; H1573-F1602 WeakPolarHBondContact CE1-CE1 3.32Å; H1573-F1602 AromaticContact CE1-CZ 3.83Å; H1573-F1602 AromaticContact NE2-CD1 3.32Å; H1573-F1602 VanDerWaalsContact NE2-CD1 3.32Å; H1573-F1602 WeakPolarHBondContact NE2-CD1 3.08Å; H1573-F1602 AromaticContact NE2-CD2 3.81Å; H1573-F1602 AromaticContact NE2-CE1 2.89Å; H1573-F1602 WeakPolarHBondContact NE2-CE1 3.45Å; H1573-F1602 AromaticContact NE2-CE2 3.41Å; H1573-F1602 WeakPolarHBondContact NE2-CE2 3.33Å; H1573-F1602 AromaticContact NE2-CG 3.78Å; H1573-F1602 AromaticContact NE2-CZ 2.94Å; H1573-F1602 WeakPolarHBondContact NE2-CZ 3.39Å; F1602-V1604 PolarHBondContact O-N 3.48Å
1603H45.2Very low37.7Very low45 Ų4595.2 Ų95.221%0.20854%0.544CS..  trans-77.2106.8167.7-173.4-92.2000108.7L1571L1571-H1603 HydrophobicContact CD2-CB 4.16Å
1604V40.8Very low36.5Very low117 Ų117102.1 Ų102.171%0.70957%0.57SS**  trans-93.5110178.3-178.80000108.4F1602 C1606F1602-V1604 PolarHBondContact O-N 3.48Å; V1604-C1606 PolarHBondContact O-N 2.71Å
1605S35.3Very low35.6Very low77 Ų77110.4 Ų110.454%0.53859%0.593SS.*  trans-68.6119.1168.752.70000109.2E1607S1605-E1607 PolarHBondContact O-N 3.28Å; S1605-E1607 VanDerWaalsContact O-N 3.12Å
1606C30.1Very low34.5Very low113 Ų113114.8 Ų114.876%0.76461%0.61SS**  trans-70.5104.2173.7-85.70000110V1604V1604-C1606 PolarHBondContact O-N 2.71Å
1607E30.9Very low33.7Very low162 Ų162120.9 Ų120.976%0.75763%0.634SS**  trans-73.6138.6164.8-72.9-170.416700110.2S1605 T1609S1605-E1607 PolarHBondContact O-N 3.28Å; S1605-E1607 VanDerWaalsContact O-N 3.12Å; E1607-T1609 PolarHBondContact O-N 2.77Å
1608P30.5Very low32.7Very low127 Ų127122.2 Ų122.283%0.82565%0.649SS**  trans-70114.3-175.727.9-32.1000110.5D1610P1608-D1610 PolarHBondContact O-N 3.2Å
1609T30.2Very low31.7Very low132 Ų132129 Ų12981%0.8168%0.684SS**  trans-84.9108-176.350.30000112.2E1607E1607-T1609 PolarHBondContact O-N 2.77Å
1610D28.3Very low30.9Very low156 Ų156129.9 Ų129.983%0.83469%0.692SS**  trans-64126.7166.5-82.9-37.2000112.3P1608 S1612P1608-D1610 PolarHBondContact O-N 3.2Å; D1610-S1612 PolarHBondContact O-N 3.4Å
1611N25.3Very low29.6Very low164 Ų164132.2 Ų132.288%0.87772%0.716SS**  trans-74.997.7172.9-83.3-30.7000111.2
1612S26Very low28.7Very low114 Ų114135.4 Ų135.480%0.79774%0.738SS**  trans-148.369.7156.558.70000111.7D1610D1610-S1612 PolarHBondContact O-N 3.4Å
1613S26.5Very low27.5Very low106 Ų106136.8 Ų136.874%0.74175%0.746SS**  trans-90112.4174.263.10000111.7
1614K26.8Very low26.3Very low181 Ų181142 Ų14279%0.78778%0.775SS**  trans178.883.6132.8-97.2169.2-173.2-177.90110.1
1615R23.3Very low25.5Very low255 Ų255140.9 Ų140.996%0.96277%0.772SS**  trans-98.6113.8166.6-134177.7-168.4174.54.3107.8
1616K22.8Very low24.8Very low190 Ų190146.3 Ų146.383%0.82679%0.786SS**  trans-134.7123.8161.5-104.4-173.7-179.7176.50108.7
1617K22.8Very low24.5Very low198 Ų198147 Ų14786%0.86179%0.787SS**  trans67.1144.6161.9-60.3179.8176.4-177.40114.5
1618S21.7Very low24.1Very low97 Ų97145.4 Ų145.468%0.67879%0.788SS**  cis-179.4152.7-443.10000105.8
1619L21.8Very low23.7Very low157 Ų157144.4 Ų144.482%0.82278%0.784SS**  trans76111.2161.8-89.889.8000121
1620S22.2Very low23.3Very low92 Ų92146.1 Ų146.164%0.64378%0.783SS**  57.1111.212467.10000122.5
1621S21Very low23.1Very low104 Ų104147.3 Ų147.373%0.72778%0.78SS**  63.2147.112960.50000122.8
1622T23.6Very low23Very low117 Ų117145.5 Ų145.572%0.71878%0.775SS**  trans91.6109.4157.435.70000121
1623E22.4Very low22.8Very low168 Ų168144.6 Ų144.679%0.78577%0.769SS**  trans66.8110.6132-67.4178.5174.400120.1
1624L20.8Very low22.7Very low156 Ų156146.8 Ų146.882%0.81777%0.773SS**  79.2115.586.2-103.3157.8000115.7
1625S22.3Very low22.5Very low92 Ų92144.4 Ų144.464%0.64378%0.779SS**  trans96.8124.8137.879.20000121.7
1626K22Very low22.4Very low192 Ų192137.5 Ų137.584%0.83577%0.77SS**  trans63.1132.5138.1-63.4172.7177.3177.80117.2
1627T24.2Very low22.4Very low126 Ų126133.5 Ų133.577%0.77377%0.766SS**  -176.1126.557.5350000108
1628V21Very low22.3Very low129 Ų129128.5 Ų128.578%0.78276%0.756SS**  37.4115.5102.8-173.50000117.1
1629S23.6Very low22.3Very low106 Ų106130.1 Ų130.174%0.74176%0.764SS**  175.7110.7129.156.20000109
1630E20.6Very low22.3Very low168 Ų168128.2 Ų128.279%0.78576%0.759SS**  62.8113.790.9-74.4-170.7167.800115.3
1631K25.5Very low22.3Very low181 Ų181130.2 Ų130.279%0.78776%0.761SS**  171.1120.5114.6-95171.4-178.6176.50114.4
1632T22.6Very low22.4Very low126 Ų126131.7 Ų131.777%0.77376%0.761SS**  50137.1129.862.90000119.5
1633S22Very low22.3Very low95 Ų95131.3 Ų131.366%0.66476%0.763SS**  cis178.4136.117.539.90000108.1
1634N23Very low22.2Very low153 Ų153129.2 Ų129.282%0.81877%0.765SS**  trans161.7140.2137.1-83.8-13.5000113.3
1635S23.9Very low22.4Very low130 Ų130125.8 Ų125.891%0.90976%0.76SS**  trans84.7129.1170.877.10000118.3
1636S20.8Very low22.6Very low111 Ų111129.2 Ų129.278%0.77677%0.771SS**  trans-102.8168.2-165.649.20000112.9
1637S22.1Very low22.9Very low106 Ų106126.2 Ų126.274%0.74177%0.768SS**  trans91.684162.173.20000117.1
1638S21.2Very low22.9Very low93 Ų93127.2 Ų127.265%0.6577%0.768SS**  trans-35.8139.5138.1520000115
1639P21.4Very low23.3Very low131 Ų131127.9 Ų127.985%0.85177%0.768SS**  -92.3113.111630.1-21.4000108.5
1640V21.8Very low23.5Very low117 Ų117130 Ų13071%0.70977%0.77SS**  trans-80.4114.4168.8169.10000108
1641L21.9Very low23.6Very low134 Ų134129.4 Ų129.470%0.70277%0.772SS**  36.9135.2125.7-79.4154.9000121.8
1642N23.3Very low23.5Very low135 Ų135129.3 Ų129.372%0.72277%0.771SS**  trans91.8114.6131.8-70.3-18.4000120.1
1643S23Very low23.7Very low108 Ų108126.9 Ų126.976%0.75576%0.76SS**  168.8144.897510000113.3
1644C20.1Very low23.7Very low124 Ų124128.1 Ų128.184%0.83876%0.763SS**  trans67.6105.5161.9-57.80000117.8
1645A24.9Very low23.9Very low85 Ų85125 Ų12570%0.70274%0.744SS**  94.19967.200000112.2
1646D25Very low24Very low163 Ų163125 Ų12587%0.87273%0.729SS**  trans-179.883.2153.1-87.6-20.4000106
1647V29.4Very low24.4Very low129 Ų129122 Ų12278%0.78270%0.704SS**  50.563.886.4-163.90000113.8
1648L24.8Very low24.6Very low148 Ų148125.6 Ų125.678%0.77570%0.701SS**  trans-159.948.8150.6-152.265.5000113.5
1649D27.7Very low25Very low143 Ų143125.3 Ų125.377%0.76569%0.692SS**  trans-103.816.4166.7-102.5-20.6000112.3
1650N27.8Very low25.3Very low149 Ų149122.8 Ų122.880%0.79768%0.676SS**  trans-95.616.9-175.6-79.1-0.1000115.1K1652N1650-K1652 PolarHBondContact O-N 2.77Å
1651L23.1Very low25.5Very low157 Ų157124 Ų12482%0.82268%0.678SS**  trans-8426164.8-81.3165.5000112.7S1653L1651-S1653 PolarHBondContact O-N 2.98Å
1652K24.6Very low25.9Very low178 Ų178123.3 Ų123.377%0.77467%0.673SS**  trans-78.1117.2166.9-80.2-179.8178.6171.80109.6N1650N1650-K1652 PolarHBondContact O-N 2.77Å
1653S25.7Very low26.1Very low76 Ų76117.9 Ų117.953%0.53165%0.65SS.*  trans6982169.961.50000118.2L1651 H1655L1651-S1653 PolarHBondContact O-N 2.98Å; S1653-H1655 PolarHBondContact O-N 3.26Å; S1653-H1655 PolarHBondContact OG-CE1 2.9Å
1654T23.1Very low26.4Very low121 Ų121116.1 Ų116.174%0.74263%0.628SS**  trans-55.6103.4146.149.10000109.1Q1656T1654-Q1656 PolarHBondContact O-N 2.65Å
1655H26.1Very low26.8Very low88 Ų88111.6 Ų111.641%0.40760%0.598SS.*  trans-80.8111.3-180-76.3-42.2000111P1568 S1653P1568-H1655 HydrophobicContact CG-CB 4.43Å; S1653-H1655 PolarHBondContact O-N 3.26Å; S1653-H1655 PolarHBondContact OG-CE1 2.9Å
1656Q27.1Very low26.9Very low128 Ų128112.4 Ų112.460%0.59859%0.591SS**  trans-74.4120172.5-67.8172.1-1500109.4T1654 R1658T1654-Q1656 PolarHBondContact O-N 2.65Å; Q1656-R1658 HydrophobicContact CB-CG 3.98Å; Q1656-R1658 PolarHBondContact O-N 2.62Å
1657I28.5Very low27Very low48 Ų48106.2 Ų106.225%0.24656%0.557CS.*  trans-70.388.8163.2-57.8178.1000106.9L1571 Y1574L1571-I1657 HydrophobicContact CD2-CD1 4.02Å; Y1574-I1657 HydrophobicContact CD1-CG2 4.43Å; Y1574-I1657 HydrophobicContact CE1-CG2 3.79Å; Y1574-I1657 HydrophobicContact CE2-CG2 3.89Å; Y1574-I1657 VanDerWaalsContact CZ-CG2 3.48Å
1658R26.6Very low27.2Very low182 Ų182101.1 Ų101.169%0.68753%0.527SS*.  trans-77.6127173.9-64.8179.6179.6174.9-0.3108.1Q1656 P1660Q1656-R1658 HydrophobicContact CB-CG 3.98Å; Q1656-R1658 PolarHBondContact O-N 2.62Å; R1658-P1660 WeakPolarHBondContact O-CD 3.41Å
1659L29Very low27.3Very low87 Ų8798.6 Ų98.646%0.45551%0.509SS..  trans-83.498162.3-76.6158.9000106.8Y1574 L1576 L1601 L1661Y1574-L1659 HydrophobicContact CE2-CD2 4.31Å; L1576-L1659 HydrophobicContact CD1-CD1 3.82Å; L1601-L1659 HydrophobicContact CD1-CD2 4.48Å; L1659-L1661 PolarHBondContact O-N 2.85Å
1660P27.2Very low27.3Very low78 Ų7894.6 Ų94.651%0.50649%0.493SS..  trans-60.6129.4170.125-31.9000107.7R1658 I1662 G1663R1658-P1660 WeakPolarHBondContact O-CD 3.41Å; P1660-I1662 PolarHBondContact O-N 2.83Å; P1660-G1663 PolarHBondContact O-N 3.07Å
1661L27.5Very low27.3Very low143 Ų14392.2 Ų92.275%0.74949%0.488SS*.Hα-helixtrans-51-26.5173.5-91.9156.4000111.6L1659 G1663 F1664 S1665L1659-L1661 PolarHBondContact O-N 2.85Å; L1661-G1663 VanDerWaalsContact C-N 3.32Å; L1661-G1663 PolarHBondContact O-N 3.44Å; L1661-F1664 PolarHBondContact O-N 3.31Å; L1661-S1665 WeakPolarHBondContact O-CB 3.5Å; L1661-S1665 PolarHBondContact O-N 3.46Å
1662I28.6Very low27.6Very low119 Ų11993.4 Ų93.461%0.6149%0.486SS*.Hα-helixtrans-58.8-36.7171.4-71.8163.5000112.7P1660 S1665 D1666P1660-I1662 PolarHBondContact O-N 2.83Å; I1662-S1665 WeakPolarHBondContact CA-OG 3.3Å; I1662-S1665 CarbonylContact O-C 3.19Å; I1662-S1665 WeakPolarHBondContact O-CA 3.22Å; I1662-S1665 WeakPolarHBondContact O-CB 3.38Å; I1662-S1665 PolarHBondContact O-N 2.93Å; I1662-S1665 PolarHBondContact O-OG 3.09Å; I1662-D1666 WeakPolarHBondContact O-CB 3.43Å; I1662-D1666 VanDerWaalsContact O-CG 3.22Å; I1662-D1666 PolarHBondContact O-N 3.31Å
1663G28.2Very low27.7Very low22 Ų2287.3 Ų87.323%0.22746%0.461CS..Hα-helixtrans-72.3-31.1176.100000113.3P1660 L1661 D1666 L1667P1660-G1663 PolarHBondContact O-N 3.07Å; L1661-G1663 VanDerWaalsContact C-N 3.32Å; L1661-G1663 PolarHBondContact O-N 3.44Å; G1663-D1666 PolarHBondContact O-N 3.49Å; G1663-L1667 PolarHBondContact O-N 3.06Å; G1663-L1667 VanDerWaalsContact O-N 3.08Å
1664F29Very low27.7Very low71 Ų7186.6 Ų86.631%0.31145%0.454SS..Hα-helixtrans-73.3-36.2170.2-140.9-88.6000110.7I1578 L1661 L1667 V1668I1578-F1664 HydrophobicContact CD1-CE2 4.06Å; I1578-F1664 HydrophobicContact CD1-CZ 3.69Å; L1661-F1664 PolarHBondContact O-N 3.31Å; F1664-L1667 WeakPolarHBondContact O-CB 3.19Å; F1664-L1667 PolarHBondContact O-N 3.29Å; F1664-V1668 WeakPolarHBondContact O-CG2 3.44Å; F1664-V1668 PolarHBondContact O-N 3.35Å
1665S28Very low27.9Very low29 Ų2989.9 Ų89.920%0.20346%0.458CS..Hα-helixtrans-62.6-41.5170.296.50000110.6L1661 I1662 L1667 V1668 F1669L1661-S1665 WeakPolarHBondContact O-CB 3.5Å; L1661-S1665 PolarHBondContact O-N 3.46Å; I1662-S1665 WeakPolarHBondContact CA-OG 3.3Å; I1662-S1665 CarbonylContact O-C 3.19Å; I1662-S1665 WeakPolarHBondContact O-CA 3.22Å; I1662-S1665 WeakPolarHBondContact O-CB 3.38Å; I1662-S1665 PolarHBondContact O-N 2.93Å; I1662-S1665 PolarHBondContact O-OG 3.09Å; S1665-L1667 VanDerWaalsContact C-N 3.27Å; S1665-L1667 PolarHBondContact O-N 3.08Å; S1665-V1668 CarbonylContact O-C 3.56Å; S1665-V1668 PolarHBondContact O-N 3.09Å; S1665-V1668 VanDerWaalsContact O-N 3.13Å; S1665-F1669 WeakPolarHBondContact O-CA 3.47Å; S1665-F1669 WeakPolarHBondContact O-CB 3.47Å; S1665-F1669 WeakPolarHBondContact O-CD2 3.14Å; S1665-F1669 WeakPolarHBondContact O-CG 3.45Å; S1665-F1669 PolarHBondContact O-N 3.27Å
1666D27.3Very low28Very low102 Ų10292 Ų9255%0.54547%0.472SS..Hα-helixtrans-69.4-26.3177-72.9-22.7000112I1662 G1663 F1669 S1670I1662-D1666 WeakPolarHBondContact O-CB 3.43Å; I1662-D1666 VanDerWaalsContact O-CG 3.22Å; I1662-D1666 PolarHBondContact O-N 3.31Å; G1663-D1666 PolarHBondContact O-N 3.49Å; D1666-F1669 CarbonylContact O-C 3.59Å; D1666-S1670 PolarHBondContact O-N 3.46Å
1667L28.7Very low28Very low33 Ų3387.9 Ų87.917%0.17345%0.453CS..Hα-helixtrans-67-47.5169.6-161.972.6000111.5I1597 P1599 G1663 F1664 S1665 F1669 S1670I1597-L1667 WeakPolarHBondContact O-CD1 3.39Å; P1599-L1667 HydrophobicContact CG-CD1 4.31Å; G1663-L1667 PolarHBondContact O-N 3.06Å; G1663-L1667 VanDerWaalsContact O-N 3.08Å; F1664-L1667 WeakPolarHBondContact O-CB 3.19Å; F1664-L1667 PolarHBondContact O-N 3.29Å; S1665-L1667 VanDerWaalsContact C-N 3.27Å; S1665-L1667 PolarHBondContact O-N 3.08Å; L1667-F1669 VanDerWaalsContact C-N 3.29Å; L1667-S1670 WeakPolarHBondContact O-CB 3.15Å; L1667-S1670 PolarHBondContact O-N 2.59Å; L1667-S1670 PolarHBondContact O-OG 3.17Å
1668V31.6Very low28.2Very low22 Ų2290.3 Ų90.313%0.13347%0.466CS..Hα-helixtrans-69.9-28.7176.3175.60000110.9F1664 S1665 M1673 I1677F1664-V1668 WeakPolarHBondContact O-CG2 3.44Å; F1664-V1668 PolarHBondContact O-N 3.35Å; S1665-V1668 CarbonylContact O-C 3.56Å; S1665-V1668 PolarHBondContact O-N 3.09Å; S1665-V1668 VanDerWaalsContact O-N 3.13Å; V1668-M1673 HydrophobicContact CB-SD 4.37Å; V1668-M1673 HydrophobicContact CG1-CE 3.96Å; V1668-M1673 HydrophobicContact CG1-SD 4.02Å; V1668-M1673 HydrophobicContact CG2-SD 4.45Å; V1668-M1673 WeakPolarHBondContact O-CB 3.47Å; V1668-I1677 HydrophobicContact CG1-CD1 4.04Å
1669F28.3Very low28.3Very low94 Ų9485.2 Ų85.241%0.41246%0.459SS..THydrogen-bonded Turntrans-94.94.4178.7-61.9-50.9000112.9S1665 D1666 L1667 S1671 T1674S1665-F1669 WeakPolarHBondContact O-CA 3.47Å; S1665-F1669 WeakPolarHBondContact O-CB 3.47Å; S1665-F1669 WeakPolarHBondContact O-CD2 3.14Å; S1665-F1669 WeakPolarHBondContact O-CG 3.45Å; S1665-F1669 PolarHBondContact O-N 3.27Å; D1666-F1669 CarbonylContact O-C 3.59Å; L1667-F1669 VanDerWaalsContact C-N 3.29Å; F1669-S1671 PolarHBondContact O-N 3.01Å; F1669-T1674 HydrophobicContact CB-CG2 4.21Å; F1669-T1674 HydrophobicContact CD1-CG2 3.77Å; F1669-T1674 HydrophobicContact CG-CG2 4.46Å
1670S28.3Very low28.5Very low60 Ų6089.4 Ų89.442%0.4248%0.476SS..SBendtrans-52131.2161.676.30000107.1D1666 L1667 K1672 M1673D1666-S1670 PolarHBondContact O-N 3.46Å; L1667-S1670 WeakPolarHBondContact O-CB 3.15Å; L1667-S1670 PolarHBondContact O-N 2.59Å; L1667-S1670 PolarHBondContact O-OG 3.17Å; S1670-K1672 PolarHBondContact O-N 3.04Å; S1670-M1673 PolarHBondContact O-N 3.29Å
1671S27Very low28.7Very low99 Ų9995.9 Ų95.969%0.69249%0.49SS*.THydrogen-bonded Turntrans-55.7-2.3-162.957.10000116.5F1669 T1674F1669-S1671 PolarHBondContact O-N 3.01Å; S1671-T1674 WeakPolarHBondContact CA-OG1 3.48Å
1672K29.9Very low28.6Very low181 Ų18191.3 Ų91.379%0.78747%0.466SS*.THydrogen-bonded Turntrans-82.3-32.5171-71.1-178.1178.6175.40113.9S1670S1670-K1672 PolarHBondContact O-N 3.04Å
1673M26.2Very low28.7Very low51 Ų5190.9 Ų90.925%0.25146%0.46SS..THydrogen-bonded Turntrans-91.1-25.6179.5-113.1169.2124.800113.1V1668 S1670 K1675 L1676 I1677V1668-M1673 HydrophobicContact CB-SD 4.37Å; V1668-M1673 HydrophobicContact CG1-CE 3.96Å; V1668-M1673 HydrophobicContact CG1-SD 4.02Å; V1668-M1673 HydrophobicContact CG2-SD 4.45Å; V1668-M1673 WeakPolarHBondContact O-CB 3.47Å; S1670-M1673 PolarHBondContact O-N 3.29Å; M1673-K1675 PolarHBondContact O-N 3.46Å; M1673-K1675 VanDerWaalsContact O-N 3.17Å; M1673-L1676 PolarHBondContact O-N 2.94Å; M1673-I1677 HydrophobicContact CB-CD1 4.42Å; M1673-I1677 HydrophobicContact CE-CD1 4.31Å; M1673-I1677 HydrophobicContact CG-CD1 4.47Å; M1673-I1677 PolarHBondContact O-N 3.42Å
1674T25.4Very low28.7Very low60 Ų6095.6 Ų95.637%0.36849%0.49SS..THydrogen-bonded Turntrans-63.6-19.1175.640.50000114.2F1669 S1671 L1676F1669-T1674 HydrophobicContact CB-CG2 4.21Å; F1669-T1674 HydrophobicContact CD1-CG2 3.77Å; F1669-T1674 HydrophobicContact CG-CG2 4.46Å; S1671-T1674 WeakPolarHBondContact CA-OG1 3.48Å; T1674-L1676 VanDerWaalsContact C-N 3.3Å
1675K27.9Very low28.6Very low191 Ų19199.2 Ų99.283%0.8351%0.512SS*.THydrogen-bonded Turntrans-78.3-11.4170.6-77.1-169.3175.7-173.40114.1M1673M1673-K1675 PolarHBondContact O-N 3.46Å; M1673-K1675 VanDerWaalsContact O-N 3.17Å
1676L27.2Very low28.5Very low133 Ų133102.2 Ų102.270%0.69652%0.523SS*.THydrogen-bonded Turntrans-107.8-10-173.9-65.8168.4000113.2M1673 T1674M1673-L1676 PolarHBondContact O-N 2.94Å; T1674-L1676 VanDerWaalsContact C-N 3.3Å
1677I28.1Very low28.4Very low41 Ų41101.9 Ų101.921%0.2152%0.521CS..SBendtrans-122.4119-172.5-60.3170.5000106.6V1668 M1673 S1679 L1682V1668-I1677 HydrophobicContact CG1-CD1 4.04Å; M1673-I1677 HydrophobicContact CB-CD1 4.42Å; M1673-I1677 HydrophobicContact CE-CD1 4.31Å; M1673-I1677 HydrophobicContact CG-CD1 4.47Å; M1673-I1677 PolarHBondContact O-N 3.42Å; I1677-S1679 VanDerWaalsContact C-N 3.26Å; I1677-S1679 PolarHBondContact O-N 3Å; I1677-L1682 HydrophobicContact CG2-CD1 3.25Å; I1677-L1682 HydrophobicContact CG2-CG 4.31Å
1678N31.4Very low28.4Very low98 Ų98101.6 Ų101.652%0.52453%0.526SS..  trans-70.890.3172.2-166.4-5.2000108.3E1680 R1681N1678-E1680 PolarHBondContact O-N 3.44Å; N1678-R1681 PolarHBondContact O-N 3.44Å
1679S28.9Very low28.3Very low76 Ų76106.3 Ų106.353%0.53155%0.549SS..G310 helixtrans-59.2-15.5-176.850.60000113.3I1677 R1681I1677-S1679 VanDerWaalsContact C-N 3.26Å; I1677-S1679 PolarHBondContact O-N 3Å; S1679-R1681 PolarHBondContact O-N 3.49Å
1680E33.7Very low28.3Very low175 Ų175104.7 Ų104.782%0.81855%0.548SS*.G310 helixtrans-69.3-15173.5-61.6-174.516900113.5N1678N1678-E1680 PolarHBondContact O-N 3.44Å
1681R31.5Very low28.5Very low213 Ų213104.4 Ų104.480%0.80454%0.541SS*.G310 helixtrans-102.2-11178.8-74.4-168.5175.9176.30.1115.2N1678 S1679N1678-R1681 PolarHBondContact O-N 3.44Å; S1679-R1681 PolarHBondContact O-N 3.49Å
1682L26.2Very low28.6Very low47 Ų47103.1 Ų103.125%0.24653%0.531CS..  trans-94.6122.2179.4-71.7170.5000109.3I1677 E1686I1677-L1682 HydrophobicContact CG2-CD1 3.25Å; I1677-L1682 HydrophobicContact CG2-CG 4.31Å; L1682-E1686 HydrophobicContact CD2-CB 3.78Å
1683K29.5Very low28.8Very low110 Ų11097.3 Ų97.348%0.47851%0.51SS..  trans-69162.3164.2-65.1176.5-171.2160.40109.5N1685 E1686K1683-N1685 PolarHBondContact O-N 3.47Å; K1683-E1686 HydrophobicContact CB-CG 4.28Å; K1683-E1686 PolarHBondContact N-OE2 3.18Å; K1683-E1686 VanDerWaalsContact N-OE2 3.1Å; K1683-E1686 PolarHBondContact O-N 2.89Å; K1683-E1686 VanDerWaalsContact O-N 3.1Å
1684S29.2Very low28.9Very low121 Ų121101.7 Ų101.785%0.84653%0.528SS*.THydrogen-bonded Turntrans-55.4-11.7177.8540000115
1685N26.9Very low29.4Very low148 Ų148106.5 Ų106.579%0.79155%0.55SS*.THydrogen-bonded Turntrans-11811.2-173.7-517.4000112.6K1683K1683-N1685 PolarHBondContact O-N 3.47Å
1686E25.6Very low29.6Very low91 Ų91105.3 Ų105.343%0.42555%0.547SS..  trans-110.8128.2-177.3-69.7169-179.400111.3L1682 K1683L1682-E1686 HydrophobicContact CD2-CB 3.78Å; K1683-E1686 HydrophobicContact CB-CG 4.28Å; K1683-E1686 PolarHBondContact N-OE2 3.18Å; K1683-E1686 VanDerWaalsContact N-OE2 3.1Å; K1683-E1686 PolarHBondContact O-N 2.89Å; K1683-E1686 VanDerWaalsContact O-N 3.1Å
1687L25.9Very low29.9Very low96 Ų96101 Ų10150%0.50353%0.526SS..  trans-111.2122.3176.4-171.684.8000109.3I1689L1687-I1689 HydrophobicContact CD2-CD1 4.36Å; L1687-I1689 HydrophobicContact CD2-CG1 4.38Å
1688G28.6Very low30.2Very low27 Ų27102.5 Ų102.528%0.27854%0.539SS..  trans-104.2125.9175.400000111.9
1689I29Very low30.5Very low121 Ų12198.5 Ų98.562%0.62152%0.52SS*.  trans-111.5119.9172.1-57.7176.1000108.6L1687L1687-I1689 HydrophobicContact CD2-CD1 4.36Å; L1687-I1689 HydrophobicContact CD2-CG1 4.38Å
1690P28.3Very low30.9Very low60 Ų6097.6 Ų97.639%0.3951%0.514SS..  trans-78.8126.3-177.227.6-30.8000112.6F1547F1547-P1690 HydrophobicContact CB-CB 4.45Å; F1547-P1690 HydrophobicContact CD1-CB 3.3Å; F1547-P1690 HydrophobicContact CD2-CB 4.14Å; F1547-P1690 HydrophobicContact CE1-CB 3.4Å; F1547-P1690 VanDerWaalsContact CE1-CB 3.4Å; F1547-P1690 HydrophobicContact CE2-CB 4.22Å; F1547-P1690 HydrophobicContact CG-CB 3.7Å; F1547-P1690 HydrophobicContact CZ-CB 3.87Å
1691I33.1Very low30.9Very low53 Ų5391 Ų9127%0.27249%0.485SS..  trans-110.1121.1171.8-57.3171000109.4F1547 I1708F1547-I1691 WeakPolarHBondContact CD1-O 3.14Å; I1691-I1708 HydrophobicContact CD1-CD1 3.94Å; I1691-I1708 HydrophobicContact CG1-CD1 4.34Å
1692P27.9Very low31.1Very low73 Ų7382.5 Ų82.547%0.47446%0.456SS..  trans-81.1123-178.430.3-31.1000112.1
1693V34.7Very low31.7Very low59 Ų5982.6 Ų82.636%0.35846%0.455SS..  trans-117144.6-177.9-172.80000111.2L1702V1693-L1702 HydrophobicContact CG1-CD1 3.57Å; V1693-L1702 HydrophobicContact CG1-CD2 3.33Å; V1693-L1702 HydrophobicContact CG1-CG 4.08Å; V1693-L1702 HydrophobicContact CG2-CD1 4.45Å
1694K28.3Very low32Very low142 Ų14279.6 Ų79.662%0.61745%0.448SS*.  trans-80.1128.7170.8-70.6-174.1178.6-1790110.5E1696 V1697K1694-E1696 PolarHBondContact O-N 2.89Å; K1694-E1696 VanDerWaalsContact O-N 3.07Å; K1694-V1697 PolarHBondContact O-N 3.34Å
1695I34.9Very low32.4Very low162 Ų16275.3 Ų75.383%0.83142%0.415SS*.THydrogen-bonded Turntrans-56.8-24.5-176.6-65.2162.2000113.6V1697I1695-V1697 VanDerWaalsContact C-N 3.34Å; I1695-V1697 PolarHBondContact O-N 3.27Å
1696E33.7Very low32.9Very low165 Ų16568.8 Ų68.877%0.77138%0.381SS*.THydrogen-bonded Turntrans-81.7-5.4-172.6-65.1170.9-179.500114.6K1694K1694-E1696 PolarHBondContact O-N 2.89Å; K1694-E1696 VanDerWaalsContact O-N 3.07Å
1697V32.4Very low33.6Very low44 Ų4466.7 Ų66.727%0.26737%0.37SS..SBendtrans-105.6112.2-175.8-178.80000109.6K1694 I1695 V1701 L1702K1694-V1697 PolarHBondContact O-N 3.34Å; I1695-V1697 VanDerWaalsContact C-N 3.34Å; I1695-V1697 PolarHBondContact O-N 3.27Å; V1697-V1701 HydrophobicContact CG1-CB 3.44Å; V1697-V1701 VanDerWaalsContact CG1-CB 3.44Å; V1697-V1701 HydrophobicContact CG1-CG1 3.5Å; V1697-V1701 HydrophobicContact CG1-CG2 4.32Å; V1697-L1702 HydrophobicContact CB-CD2 4.41Å; V1697-L1702 HydrophobicContact CG1-CD2 4.08Å; V1697-L1702 HydrophobicContact CG1-CG 4.43Å
1698P35.1Very low34.4Very low72 Ų7263 Ų6347%0.46835%0.351SS..  trans-57142.9177.6-21.932.2000111.5S1700 V1701P1698-S1700 PolarHBondContact O-N 2.87Å; P1698-V1701 PolarHBondContact O-N 3.3Å
1699G38.1Very low35Very low13 Ų1363 Ų6313%0.13434%0.343CS..Hα-helixtrans-51-30.5-168.800000115.9V1701 L1702 E1703G1699-V1701 VanDerWaalsContact C-N 3.31Å; G1699-V1701 PolarHBondContact O-N 3.31Å; G1699-L1702 WeakPolarHBondContact O-CB 3.47Å; G1699-L1702 PolarHBondContact O-N 3.24Å; G1699-E1703 PolarHBondContact O-N 3.02Å
1700S35.5Very low35.8Very low58 Ų5859.8 Ų59.841%0.40632%0.323SS..Hα-helixtrans-65.4-26.8176.753.10000114.5P1698P1698-S1700 PolarHBondContact O-N 2.87Å
1701V33.9Very low36.5Very low35 Ų3561.6 Ų61.621%0.21232%0.323CS..Hα-helixtrans-78.5-26.1176.6177.80000111.4F1434 V1697 P1698 G1699 S1704 N1705F1434-V1701 HydrophobicContact CD1-CG2 4.25Å; F1434-V1701 HydrophobicContact CE1-CG2 3.55Å; F1434-V1701 HydrophobicContact CZ-CG2 4.32Å; V1697-V1701 HydrophobicContact CG1-CB 3.44Å; V1697-V1701 VanDerWaalsContact CG1-CB 3.44Å; V1697-V1701 HydrophobicContact CG1-CG1 3.5Å; V1697-V1701 HydrophobicContact CG1-CG2 4.32Å; P1698-V1701 PolarHBondContact O-N 3.3Å; G1699-V1701 VanDerWaalsContact C-N 3.31Å; G1699-V1701 PolarHBondContact O-N 3.31Å; V1701-S1704 PolarHBondContact O-N 2.73Å; V1701-S1704 PolarHBondContact O-OG 3.02Å; V1701-N1705 PolarHBondContact O-ND2 3.37Å
1702L35.4Very low37Very low35 Ų3559.7 Ų59.718%0.18331%0.314CS..Hα-helixtrans-68.3-39.7176-57.8172.5000111.2W1584 V1693 V1697 G1699 S1704 I1706W1584-L1702 HydrophobicContact CH2-CD2 3.81Å; W1584-L1702 HydrophobicContact CZ3-CD2 4.36Å; V1693-L1702 HydrophobicContact CG1-CD1 3.57Å; V1693-L1702 HydrophobicContact CG1-CD2 3.33Å; V1693-L1702 HydrophobicContact CG1-CG 4.08Å; V1693-L1702 HydrophobicContact CG2-CD1 4.45Å; V1697-L1702 HydrophobicContact CB-CD2 4.41Å; V1697-L1702 HydrophobicContact CG1-CD2 4.08Å; V1697-L1702 HydrophobicContact CG1-CG 4.43Å; G1699-L1702 WeakPolarHBondContact O-CB 3.47Å; G1699-L1702 PolarHBondContact O-N 3.24Å; L1702-S1704 PolarHBondContact O-N 3.47Å; L1702-S1704 VanDerWaalsContact O-N 3.14Å; L1702-I1706 HydrophobicContact CB-CD1 4.38Å; L1702-I1706 HydrophobicContact CD2-CD1 4Å
1703E38.9Very low37.9Very low49 Ų4959.9 Ų59.923%0.22931%0.305CS..Hα-helixtrans-69.4-0.6179.5-73.4178.4-147.100113.7L1508 G1699 L1747 S1748 A1749L1508-E1703 VanDerWaalsContact CD2-CD 3.46Å; L1508-E1703 HydrophobicContact CD2-CG 3.46Å; L1508-E1703 VanDerWaalsContact CD2-CG 3.46Å; L1508-E1703 WeakPolarHBondContact CD2-OE1 3.44Å; G1699-E1703 PolarHBondContact O-N 3.02Å; E1703-L1747 CarbonylContact C-O 3.54Å; E1703-L1747 CarbonylContact O-C 3.51Å; E1703-L1747 VanDerWaalsContact O-C 3.29Å; E1703-S1748 CarbonylContact O-C 3.57Å; E1703-S1748 WeakPolarHBondContact O-CA 3.29Å; E1703-S1748 PolarHBondContact O-N 2.98Å; E1703-A1749 HydrophobicContact CB-CB 4.2Å; E1703-A1749 PolarHBondContact O-N 2.85Å
1704S36.6Very low38.4Very low48 Ų4858 Ų5834%0.33629%0.294SS..Hα-helixtrans-121.7-1317850.50000115.2V1701 L1702 L1747V1701-S1704 PolarHBondContact O-N 2.73Å; V1701-S1704 PolarHBondContact O-OG 3.02Å; L1702-S1704 PolarHBondContact O-N 3.47Å; L1702-S1704 VanDerWaalsContact O-N 3.14Å; S1704-L1747 CarbonylContact C-O 3.47Å; S1704-L1747 PolarHBondContact N-O 2.71Å
1705N37Very low39.4Very low30 Ų3052 Ų5216%0.1627%0.269CS..Hα-helixtrans-130.1-0.8-161.8-67.9-51.8000117.3W1584 S1585 N1586 V1701W1584-N1705 CarbonylContact C-O 3.52Å; W1584-N1705 WeakPolarHBondContact CA-O 3.45Å; W1584-N1705 HydrophobicContact CE3-CB 4.2Å; S1585-N1705 PolarHBondContact N-O 3.1Å; S1585-N1705 VanDerWaalsContact OG-CA 3.24Å; S1585-N1705 WeakPolarHBondContact OG-CA 3.42Å; S1585-N1705 VanDerWaalsContact OG-CB 3.22Å; S1585-N1705 WeakPolarHBondContact OG-CB 3.34Å; S1585-N1705 VanDerWaalsContact OG-CG 3.31Å; S1585-N1705 PolarHBondContact OG-O 3.06Å; S1585-N1705 PolarHBondContact OG-OD1 3.22Å; N1586-N1705 PolarHBondContact ND2-OD1 2.63Å; V1701-N1705 PolarHBondContact O-ND2 3.37Å
1706I38.6Very low40.2Very low12 Ų1244.5 Ų44.56%0.06223%0.231CC..EExtended strand (participates in β ladder)trans-100.8127.9-177.4-59.6173.9000110.9W1584 L1702 I1708 L1747W1584-I1706 HydrophobicContact CD2-CG1 4.14Å; W1584-I1706 HydrophobicContact CE3-CG1 3.89Å; W1584-I1706 HydrophobicContact CH2-CD1 3.66Å; W1584-I1706 HydrophobicContact CH2-CG1 3.75Å; W1584-I1706 HydrophobicContact CZ2-CD1 3.9Å; W1584-I1706 HydrophobicContact CZ2-CG1 3.97Å; W1584-I1706 HydrophobicContact CZ3-CD1 4.08Å; W1584-I1706 HydrophobicContact CZ3-CG1 3.7Å; L1702-I1706 HydrophobicContact CB-CD1 4.38Å; L1702-I1706 HydrophobicContact CD2-CD1 4Å; I1706-I1708 HydrophobicContact CG2-CG1 4.1Å; I1706-L1747 HydrophobicContact CB-CD1 4.36Å; I1706-L1747 HydrophobicContact CG2-CD1 4.46Å; I1706-L1747 PolarHBondContact O-N 2.93Å; I1706-L1747 VanDerWaalsContact O-N 3.16Å
1707K40.7Very low41.2Very low46 Ų4639.4 Ų39.420%0.221%0.205CC..EExtended strand (participates in β ladder)trans-121.4123.4174.2-60.8178.7179.2177.30109.8N1583 F1709 R1744 I1745 I1746N1583-K1707 PolarHBondContact N-O 2.81Å; N1583-K1707 CarbonylContact O-C 3.49Å; N1583-K1707 WeakPolarHBondContact O-CA 3.47Å; N1583-K1707 WeakPolarHBondContact O-CB 3.3Å; N1583-K1707 PolarHBondContact O-N 2.77Å; K1707-F1709 HydrophobicContact CB-CE2 4.09Å; K1707-R1744 VanDerWaalsContact NZ-NH2 3.13Å; K1707-I1745 CarbonylContact C-O 3.49Å; K1707-I1745 WeakPolarHBondContact CA-O 3.44Å; K1707-I1746 HydrophobicContact CG-CG1 4.24Å; K1707-I1746 HydrophobicContact CG-CG2 4.34Å
1708I41.6Very low42.1Very low19 Ų1941.5 Ų41.510%0.09721%0.208CC..EExtended strand (participates in β ladder)trans-113125.8179.7-55.3174.6000108.5L1580 E1582 I1691 I1706 R1744 I1745L1580-I1708 HydrophobicContact CD2-CG2 4.49Å; E1582-I1708 HydrophobicContact CG-CG1 4.49Å; I1691-I1708 HydrophobicContact CD1-CD1 3.94Å; I1691-I1708 HydrophobicContact CG1-CD1 4.34Å; I1706-I1708 HydrophobicContact CG2-CG1 4.1Å; I1708-R1744 CarbonylContact O-C 3.49Å; I1708-R1744 WeakPolarHBondContact O-CA 3.33Å; I1708-I1745 HydrophobicContact CB-CB 4.43Å; I1708-I1745 PolarHBondContact N-O 3.2Å; I1708-I1745 PolarHBondContact O-N 3.48Å
1709F42.2Very low42.8Very low28 Ų2844.2 Ų44.212%0.12321%0.212CC..EExtended strand (participates in β ladder)trans-107.5147.3175.6-61.7-90.5000109.4L1580 E1581 N1583 K1707 Y1742 G1743 R1744L1580-F1709 CarbonylContact C-O 3.45Å; L1580-F1709 WeakPolarHBondContact CA-O 3.41Å; E1581-F1709 HydrophobicContact CB-CB 4.21Å; E1581-F1709 PolarHBondContact N-O 2.77Å; E1581-F1709 PolarHBondContact O-N 3.18Å; N1583-F1709 HydrophobicContact CB-CD2 4.47Å; N1583-F1709 HydrophobicContact CB-CE2 4.07Å; K1707-F1709 HydrophobicContact CB-CE2 4.09Å; F1709-Y1742 HydrophobicContact CB-CE2 4.29Å; F1709-Y1742 AromaticContact CD1-CE2 3.73Å; F1709-Y1742 HydrophobicContact CD1-CE2 3.73Å; F1709-Y1742 AromaticContact CD1-CZ 3.88Å; F1709-Y1742 VanDerWaalsContact CD1-OH 3.25Å; F1709-Y1742 WeakPolarHBondContact CD1-OH 3.28Å; F1709-Y1742 WeakPolarHBondContact CE1-OH 3.14Å; F1709-Y1742 HydrophobicContact CG-CE2 4.48Å; F1709-G1743 CarbonylContact C-O 3.56Å; F1709-G1743 WeakPolarHBondContact CA-O 3.43Å; F1709-R1744 HydrophobicContact CD1-CB 3.87Å; F1709-R1744 HydrophobicContact CD1-CG 3.86Å; F1709-R1744 HydrophobicContact CE1-CB 3.95Å; F1709-R1744 VanDerWaalsContact CE1-CD 3.47Å; F1709-R1744 HydrophobicContact CE1-CG 3.57Å; F1709-R1744 HydrophobicContact CZ-CG 4.04Å
1710W44.5Very low43.1Very low53 Ų5347.6 Ų47.620%0.20123%0.233CC..EExtended strand (participates in β ladder)trans-141.3150.7177.768.8-92.4000111.9L1515 E1579 L1580 R1741 Y1742 G1743L1515-W1710 HydrophobicContact CD2-CZ2 3.9Å; E1579-W1710 CarbonylContact O-C 3.55Å; E1579-W1710 VanDerWaalsContact O-CA 3.23Å; E1579-W1710 WeakPolarHBondContact O-CA 3.02Å; L1580-W1710 HydrophobicContact CD2-CB 3.43Å; L1580-W1710 VanDerWaalsContact CD2-CB 3.43Å; L1580-W1710 HydrophobicContact CD2-CG 4.49Å; L1580-W1710 HydrophobicContact CG-CB 4.44Å; W1710-R1741 HydrophobicContact CH2-CB 3.95Å; W1710-R1741 HydrophobicContact CZ3-CB 3.98Å; W1710-Y1742 CarbonylContact O-C 3.6Å; W1710-Y1742 WeakPolarHBondContact O-CA 3.08Å; W1710-Y1742 WeakPolarHBondContact O-CD2 3.49Å; W1710-G1743 PolarHBondContact N-O 3.08Å; W1710-G1743 PolarHBondContact O-N 2.96Å
1711Y43.1Very low42.9Very low97 Ų9751.9 Ų51.938%0.3825%0.252SS..EExtended strand (participates in β ladder)trans-132.4135178.9-63.1-85.4000109I1578 E1579 R1741 Y1742I1578-Y1711 CarbonylContact C-O 3.49Å; I1578-Y1711 WeakPolarHBondContact CA-O 3.36Å; E1579-Y1711 PolarHBondContact N-O 3.21Å; E1579-Y1711 PolarHBondContact O-N 3.05Å; Y1711-R1741 CarbonylContact C-O 3.46Å; Y1711-R1741 VanDerWaalsContact CA-O 3.29Å; Y1711-R1741 WeakPolarHBondContact CA-O 3.45Å; Y1711-Y1742 AromaticContact CD1-CD2 3.79Å; Y1711-Y1742 HydrophobicContact CD1-CD2 3.79Å; Y1711-Y1742 HydrophobicContact CD1-CG 4.23Å; Y1711-Y1742 AromaticContact CE1-CD2 3.26Å; Y1711-Y1742 HydrophobicContact CE1-CD2 3.26Å; Y1711-Y1742 HydrophobicContact CE1-CE2 4.04Å; Y1711-Y1742 AromaticContact CE1-CG 3.87Å; Y1711-Y1742 HydrophobicContact CE1-CG 3.87Å; Y1711-Y1742 HydrophobicContact CE2-CD2 4.17Å; Y1711-Y1742 HydrophobicContact CE2-CE2 4.49Å; Y1711-Y1742 HydrophobicContact CG-CD2 4.42Å; Y1711-Y1742 AromaticContact CZ-CD2 3.48Å; Y1711-Y1742 VanDerWaalsContact CZ-CD2 3.48Å; Y1711-Y1742 AromaticContact CZ-CE2 3.82Å
1712S43.7Very low42.7Very low13 Ų1354.6 Ų54.69%0.09127%0.272CS..EExtended strand (participates in β ladder)trans-126.6144.3172.975.20000112.8E1577 R1740 R1741E1577-S1712 CarbonylContact O-C 3.44Å; E1577-S1712 VanDerWaalsContact O-CA 3.23Å; E1577-S1712 WeakPolarHBondContact O-CA 3.43Å; S1712-R1740 WeakPolarHBondContact O-CA 3.42Å; S1712-R1741 PolarHBondContact N-O 3.39Å; S1712-R1741 PolarHBondContact O-N 2.88Å; S1712-R1741 VanDerWaalsContact O-N 3.16Å
1713R47.5Very low42.5Very low77 Ų7765.3 Ų65.329%0.29131%0.309SS..EExtended strand (participates in β ladder)trans-141.8144.4178.462.6-177.7-179.7-131.4-11.6112.9L1576 E1577 E1579 F1739L1576-R1713 CarbonylContact C-O 3.59Å; L1576-R1713 WeakPolarHBondContact CA-O 3.31Å; E1577-R1713 HydrophobicContact CB-CG 3.78Å; E1577-R1713 HydrophobicContact CG-CG 4.41Å; E1577-R1713 PolarHBondContact N-O 2.77Å; E1577-R1713 PolarHBondContact O-N 2.81Å; E1577-R1713 IonicContact OE2-CZ 2.81Å; E1577-R1713 IonicContact OE2-NE 2.75Å; E1577-R1713 PolarHBondContact OE2-NE 3.28Å; E1577-R1713 IonicContact OE2-NH2 3.8Å; E1577-R1713 PolarHBondContact OE2-NH2 2.94Å; E1579-R1713 IonicContact OE1-CZ 3.62Å; E1579-R1713 IonicContact OE1-NH1 3.16Å; E1579-R1713 PolarHBondContact OE1-NH1 3.18Å; E1579-R1713 IonicContact OE1-NH2 3.83Å; E1579-R1713 PolarHBondContact OE1-NH2 3.06Å; R1713-F1739 WeakPolarHBondContact CA-O 3.41Å
1714V45.1Very low42.3Very low20 Ų2067.5 Ų67.512%0.12133%0.331CS..EExtended strand (participates in β ladder)trans-108.6130.1174.9172.70000111.1R1575 L1576 C1736 F1739R1575-V1714 WeakPolarHBondContact O-CA 2.89Å; L1576-V1714 HydrophobicContact CB-CG2 4.32Å; L1576-V1714 HydrophobicContact CD1-CG2 3.7Å; L1576-V1714 HydrophobicContact CG-CG2 3.85Å; V1714-C1736 PolarHBondContact O-N 3.07Å; V1714-F1739 HydrophobicContact CB-CB 4.02Å; V1714-F1739 HydrophobicContact CB-CD1 4.05Å; V1714-F1739 HydrophobicContact CB-CG 4.03Å; V1714-F1739 HydrophobicContact CG2-CB 4.18Å; V1714-F1739 HydrophobicContact CG2-CD1 3.27Å; V1714-F1739 HydrophobicContact CG2-CD2 4.24Å; V1714-F1739 HydrophobicContact CG2-CE1 3.55Å; V1714-F1739 HydrophobicContact CG2-CE2 4.47Å; V1714-F1739 HydrophobicContact CG2-CG 3.63Å; V1714-F1739 HydrophobicContact CG2-CZ 4.15Å
1715L48.7Very low42Very low17 Ų1774.4 Ų74.49%0.08936%0.357CS..EExtended strand (participates in β ladder)trans-109.6130.2176-67.6167.3000109.3Y1574 R1575 E1577 W1600 L1735Y1574-L1715 CarbonylContact C-O 3.53Å; Y1574-L1715 VanDerWaalsContact CA-O 3.26Å; Y1574-L1715 WeakPolarHBondContact CA-O 3.39Å; R1575-L1715 HydrophobicContact CG-CB 3.92Å; R1575-L1715 HydrophobicContact CG-CD1 4.27Å; R1575-L1715 PolarHBondContact N-O 3.34Å; R1575-L1715 PolarHBondContact O-N 3.19Å; E1577-L1715 VanDerWaalsContact CD-CD1 3.45Å; E1577-L1715 HydrophobicContact CG-CD1 4.03Å; E1577-L1715 WeakPolarHBondContact OE1-CD1 3.32Å; W1600-L1715 HydrophobicContact CH2-CB 3.75Å; W1600-L1715 HydrophobicContact CZ2-CB 4.38Å; W1600-L1715 HydrophobicContact CZ3-CB 4.5Å; W1600-L1715 VanDerWaalsContact CZ3-O 3.25Å; W1600-L1715 WeakPolarHBondContact CZ3-O 3.23Å; L1715-L1735 HydrophobicContact CD2-CD2 3.78Å; L1715-L1735 HydrophobicContact CD2-CG 3.64Å
1716A52.4Low41.8Very low3 Ų382.2 Ų82.23%0.02539%0.39CS..EExtended strand (participates in β ladder)trans-121141.6179.200000111.9L1571 W1718 Y1734L1571-A1716 HydrophobicContact CD1-CB 3.84Å; A1716-W1718 HydrophobicContact CB-CZ2 4.3Å; A1716-Y1734 PolarHBondContact N-O 3.32Å; A1716-Y1734 PolarHBondContact O-N 2.91Å
1717R53.8Low41.2Very low59 Ų5987.2 Ų87.222%0.22343%0.426CS..EExtended strand (participates in β ladder)trans-104121.4170.1-75.9174.5-179.1-154.6-12.2108.8L1572 H1573 W1600 E1731 L1733L1572-R1717 WeakPolarHBondContact CB-O 2.94Å; L1572-R1717 PolarHBondContact N-O 2.75Å; H1573-R1717 HydrophobicContact CB-CB 4.3Å; H1573-R1717 PolarHBondContact N-O 3.31Å; H1573-R1717 PolarHBondContact O-N 3.24Å; W1600-R1717 HydrophobicContact CE3-CG 4.1Å; W1600-R1717 HydrophobicContact CH2-CG 3.8Å; W1600-R1717 HydrophobicContact CZ2-CG 4.36Å; W1600-R1717 HydrophobicContact CZ3-CB 4.21Å; W1600-R1717 HydrophobicContact CZ3-CG 3.63Å; R1717-E1731 IonicContact CZ-OE1 3.61Å; R1717-E1731 IonicContact CZ-OE2 2.91Å; R1717-E1731 IonicContact NE-OE2 3.67Å; R1717-E1731 IonicContact NH1-OE1 2.9Å; R1717-E1731 PolarHBondContact NH1-OE1 3.45Å; R1717-E1731 IonicContact NH1-OE2 2.69Å; R1717-E1731 PolarHBondContact NH1-OE2 3.09Å; R1717-E1731 IonicContact NH2-OE2 3.04Å; R1717-E1731 PolarHBondContact NH2-OE2 3.04Å; R1717-L1733 HydrophobicContact CG-CD2 4.09Å
1718W50.9Low40.7Very low88 Ų8893.4 Ų93.433%0.33346%0.456SS..EExtended strand (participates in β ladder)trans-101.2147-175.2-55.577.5000110.8I1566 H1570 L1571 A1716 S1720 Y1734I1566-W1718 HydrophobicContact CG2-CH2 3.57Å; I1566-W1718 HydrophobicContact CG2-CZ3 3.8Å; H1570-W1718 HydrophobicContact CB-CE3 4.02Å; H1570-W1718 HydrophobicContact CB-CZ3 4.5Å; H1570-W1718 CarbonylContact O-C 3.59Å; H1570-W1718 VanDerWaalsContact O-CA 3.28Å; H1570-W1718 WeakPolarHBondContact O-CA 3.41Å; L1571-W1718 HydrophobicContact CD1-CE3 4.41Å; L1571-W1718 HydrophobicContact CD1-CH2 3.98Å; L1571-W1718 HydrophobicContact CD1-CZ2 4.16Å; L1571-W1718 HydrophobicContact CD1-CZ3 4.09Å; A1716-W1718 HydrophobicContact CB-CZ2 4.3Å; W1718-S1720 PolarHBondContact O-N 2.85Å; W1718-S1720 VanDerWaalsContact O-N 3.09Å; W1718-Y1734 AromaticContact CD1-CD2 3.59Å; W1718-Y1734 HydrophobicContact CG-CD2 4.39Å
1719K50.3Low40.2Very low129 Ų129100.6 Ų100.656%0.56149%0.489SS*.  trans-75.792.9176-156.4169.4-172.6-175.30108.3H1570 L1572 D1721H1570-K1719 PolarHBondContact O-N 2.93Å; L1572-K1719 HydrophobicContact CD1-CB 3.7Å; L1572-K1719 HydrophobicContact CD1-CD 4.14Å; L1572-K1719 HydrophobicContact CD1-CG 3.58Å; L1572-K1719 HydrophobicContact CG-CB 4.35Å; L1572-K1719 HydrophobicContact CG-CD 4.5Å; L1572-K1719 HydrophobicContact CG-CG 4.39Å; K1719-D1721 PolarHBondContact O-N 2.67Å
1720S45.6Very low39.5Very low83 Ų83108.5 Ų108.558%0.5852%0.519SS*.  trans-69.3117.517657.30000109.9W1718 C1722W1718-S1720 PolarHBondContact O-N 2.85Å; W1718-S1720 VanDerWaalsContact O-N 3.09Å; S1720-C1722 VanDerWaalsContact C-N 3.31Å; S1720-C1722 PolarHBondContact O-N 2.96Å
1721D30.4Very low39.1Very low148 Ų148111.7 Ų111.779%0.79154%0.536SS*.  trans-61.289.6169.9-85.3-26.8000109.9K1719K1719-D1721 PolarHBondContact O-N 2.67Å
1722C29.2Very low38.8Very low93 Ų93111.3 Ų111.363%0.62854%0.541SS*.  trans-129.485.4177.7-73.10000108.9S1720 S1724S1720-C1722 VanDerWaalsContact C-N 3.31Å; S1720-C1722 PolarHBondContact O-N 2.96Å; C1722-S1724 PolarHBondContact O-N 3.08Å
1723R32.6Very low38.4Very low259 Ų259115 Ų11598%0.97756%0.559SS**  trans-6179.8158.3-69.8-179178.5179.60.2108.9
1724S33.1Very low37.9Very low96 Ų96117.7 Ų117.767%0.67157%0.57SS**  trans-158.6109.9161.861.30000110.2C1722 K1726C1722-S1724 PolarHBondContact O-N 3.08Å; S1724-K1726 PolarHBondContact O-N 3.24Å
1725E31.3Very low37.4Very low193 Ų193121.2 Ų121.290%0.90259%0.588SS**  trans-55.498.8168.2-65.5174.5158.700109.9
1726K32.2Very low36.9Very low194 Ų194121.4 Ų121.484%0.84359%0.59SS**  trans-17499.5145.9-99153.8-168.4-175.40108.3S1724 Q1728S1724-K1726 PolarHBondContact O-N 3.24Å; K1726-Q1728 PolarHBondContact O-N 3.13Å
1727S27.1Very low35.9Very low117 Ų117124.5 Ų124.582%0.81861%0.612SS**  trans-50.3102.7167.338.50000111.1
1728Q29.5Very low34.9Very low176 Ų176130.8 Ų130.882%0.82264%0.637SS**  trans177119.8138.4-96.2162.32400109.8K1726K1726-Q1728 PolarHBondContact O-N 3.13Å
1729Q30.6Very low34.2Very low169 Ų169128.3 Ų128.379%0.7963%0.629SS**  trans58.297.6153.8-59.6178.4-7.200117.6
1730Y28.3Very low33.2Very low194 Ų194130.4 Ų130.476%0.76163%0.633SS**  trans-165.584.9132.3-84.4-67.6000108.4N1732Y1730-N1732 PolarHBondContact O-N 2.69Å
1731E35.1Very low32.6Very low120 Ų120130 Ų13056%0.56162%0.619SS**  trans-85.395.9162-76.3-179.1136.300107.4R1717 L1733R1717-E1731 IonicContact CZ-OE1 3.61Å; R1717-E1731 IonicContact CZ-OE2 2.91Å; R1717-E1731 IonicContact NE-OE2 3.67Å; R1717-E1731 IonicContact NH1-OE1 2.9Å; R1717-E1731 PolarHBondContact NH1-OE1 3.45Å; R1717-E1731 IonicContact NH1-OE2 2.69Å; R1717-E1731 PolarHBondContact NH1-OE2 3.09Å; R1717-E1731 IonicContact NH2-OE2 3.04Å; R1717-E1731 PolarHBondContact NH2-OE2 3.04Å; E1731-L1733 PolarHBondContact O-N 2.81Å
1732N37.2Very low32.5Very low89 Ų89126.7 Ų126.748%0.47660%0.596SS.*  trans-71.4116.3172-77.6-12.3000109.2Y1730 Y1734Y1730-N1732 PolarHBondContact O-N 2.69Å; N1732-Y1734 HydrophobicContact CB-CD2 4.36Å; N1732-Y1734 HydrophobicContact CB-CE2 3.63Å; N1732-Y1734 WeakPolarHBondContact O-CD2 3.32Å
1733L35Very low32.7Very low90 Ų90122.2 Ų122.247%0.47157%0.566SS.*EExtended strand (participates in β ladder)trans-78.3116.6172.5-75151.6000108.6W1600 R1717 E1731W1600-L1733 HydrophobicContact CH2-CD2 3.16Å; W1600-L1733 HydrophobicContact CZ2-CD2 3.17Å; W1600-L1733 HydrophobicContact CZ3-CD2 4.36Å; R1717-L1733 HydrophobicContact CG-CD2 4.09Å; E1731-L1733 PolarHBondContact O-N 2.81Å
1734Y38.1Very low32.5Very low134 Ų134113.3 Ų113.353%0.52553%0.532SS..EExtended strand (participates in β ladder)trans-105.2127.8173-61.8-85.8000109A1716 W1718 N1732A1716-Y1734 PolarHBondContact N-O 3.32Å; A1716-Y1734 PolarHBondContact O-N 2.91Å; W1718-Y1734 AromaticContact CD1-CD2 3.59Å; W1718-Y1734 HydrophobicContact CG-CD2 4.39Å; N1732-Y1734 HydrophobicContact CB-CD2 4.36Å; N1732-Y1734 HydrophobicContact CB-CE2 3.63Å; N1732-Y1734 WeakPolarHBondContact O-CD2 3.32Å
1735L33.7Very low32.6Very low95 Ų95111.4 Ų111.450%0.49751%0.514SS..EExtended strand (participates in β ladder)trans-69128.5171.4-90139.9000108.7L1715 S1737L1715-L1735 HydrophobicContact CD2-CD2 3.78Å; L1715-L1735 HydrophobicContact CD2-CG 3.64Å; L1735-S1737 PolarHBondContact O-N 3.05Å; L1735-S1737 VanDerWaalsContact O-N 3.11Å
1736C37.7Very low32.6Very low21 Ų21104.3 Ų104.314%0.14248%0.481CS..EExtended strand (participates in β ladder)trans-7698.9171.7-168.50000107.7V1714 Y1738 F1739V1714-C1736 PolarHBondContact O-N 3.07Å; C1736-Y1738 PolarHBondContact O-N 3.28Å; C1736-Y1738 VanDerWaalsContact O-N 3.1Å; C1736-F1739 PolarHBondContact O-N 2.96Å; C1736-F1739 VanDerWaalsContact O-N 3.14Å
1737S32.8Very low32.7Very low68 Ų6897.2 Ų97.248%0.47645%0.453SS..EExtended strand (participates in β ladder)trans-54.7-28.8-17740.10000113.1L1735 F1739L1735-S1737 PolarHBondContact O-N 3.05Å; L1735-S1737 VanDerWaalsContact O-N 3.11Å; S1737-F1739 PolarHBondContact O-N 3.43Å
1738Y32.1Very low32.8Very low190 Ų19093.1 Ų93.175%0.74542%0.424SS*.EExtended strand (participates in β ladder)trans-73.31.5179.7-54.4-75000115.9C1736C1736-Y1738 PolarHBondContact O-N 3.28Å; C1736-Y1738 VanDerWaalsContact O-N 3.1Å
1739F36.2Very low32.9Very low37 Ų3787.4 Ų87.416%0.16241%0.407CS..EExtended strand (participates in β ladder)trans-132.153-171-143.6-79.8000112.5I1564 L1576 R1713 V1714 C1736 S1737I1564-F1739 HydrophobicContact CD1-CE2 4.33Å; L1576-F1739 HydrophobicContact CD1-CE1 4.05Å; R1713-F1739 WeakPolarHBondContact CA-O 3.41Å; V1714-F1739 HydrophobicContact CB-CB 4.02Å; V1714-F1739 HydrophobicContact CB-CD1 4.05Å; V1714-F1739 HydrophobicContact CB-CG 4.03Å; V1714-F1739 HydrophobicContact CG2-CB 4.18Å; V1714-F1739 HydrophobicContact CG2-CD1 3.27Å; V1714-F1739 HydrophobicContact CG2-CD2 4.24Å; V1714-F1739 HydrophobicContact CG2-CE1 3.55Å; V1714-F1739 HydrophobicContact CG2-CE2 4.47Å; V1714-F1739 HydrophobicContact CG2-CG 3.63Å; V1714-F1739 HydrophobicContact CG2-CZ 4.15Å; C1736-F1739 PolarHBondContact O-N 2.96Å; C1736-F1739 VanDerWaalsContact O-N 3.14Å; S1737-F1739 PolarHBondContact O-N 3.43Å
1740R30.2Very low32.8Very low172 Ų17283.3 Ų83.365%0.64939%0.388SS*.EExtended strand (participates in β ladder)trans-105.1122.2164.9-75.4-175.3176-179.2-0.1108.9S1712S1712-R1740 WeakPolarHBondContact O-CA 3.42Å
1741R31.4Very low33Very low74 Ų7483.5 Ų83.528%0.27940%0.396SS..EExtended strand (participates in β ladder)trans-131.2138.3175.2-59.7-173.9-176.9-177.82.6110W1710 Y1711 S1712W1710-R1741 HydrophobicContact CH2-CB 3.95Å; W1710-R1741 HydrophobicContact CZ3-CB 3.98Å; Y1711-R1741 CarbonylContact C-O 3.46Å; Y1711-R1741 VanDerWaalsContact CA-O 3.29Å; Y1711-R1741 WeakPolarHBondContact CA-O 3.45Å; S1712-R1741 PolarHBondContact N-O 3.39Å; S1712-R1741 PolarHBondContact O-N 2.88Å; S1712-R1741 VanDerWaalsContact O-N 3.16Å
1742Y30.1Very low32.5Very low79 Ų7982 Ų8231%0.3140%0.397SS..EExtended strand (participates in β ladder)trans-127.5149.4178.7154.4-97.6000109.6T1516 F1709 W1710 Y1711T1516-Y1742 VanDerWaalsContact O-O 3.14Å; F1709-Y1742 HydrophobicContact CB-CE2 4.29Å; F1709-Y1742 AromaticContact CD1-CE2 3.73Å; F1709-Y1742 HydrophobicContact CD1-CE2 3.73Å; F1709-Y1742 AromaticContact CD1-CZ 3.88Å; F1709-Y1742 VanDerWaalsContact CD1-OH 3.25Å; F1709-Y1742 WeakPolarHBondContact CD1-OH 3.28Å; F1709-Y1742 WeakPolarHBondContact CE1-OH 3.14Å; F1709-Y1742 HydrophobicContact CG-CE2 4.48Å; W1710-Y1742 CarbonylContact O-C 3.6Å; W1710-Y1742 WeakPolarHBondContact O-CA 3.08Å; W1710-Y1742 WeakPolarHBondContact O-CD2 3.49Å; Y1711-Y1742 AromaticContact CD1-CD2 3.79Å; Y1711-Y1742 HydrophobicContact CD1-CD2 3.79Å; Y1711-Y1742 HydrophobicContact CD1-CG 4.23Å; Y1711-Y1742 AromaticContact CE1-CD2 3.26Å; Y1711-Y1742 HydrophobicContact CE1-CD2 3.26Å; Y1711-Y1742 HydrophobicContact CE1-CE2 4.04Å; Y1711-Y1742 AromaticContact CE1-CG 3.87Å; Y1711-Y1742 HydrophobicContact CE1-CG 3.87Å; Y1711-Y1742 HydrophobicContact CE2-CD2 4.17Å; Y1711-Y1742 HydrophobicContact CE2-CE2 4.49Å; Y1711-Y1742 HydrophobicContact CG-CD2 4.42Å; Y1711-Y1742 AromaticContact CZ-CD2 3.48Å; Y1711-Y1742 VanDerWaalsContact CZ-CD2 3.48Å; Y1711-Y1742 AromaticContact CZ-CE2 3.82Å
1743G31.5Very low32Very low0 Ų087 Ų870%042%0.418CS..EExtended strand (participates in β ladder)trans-159.4162.9175.300000113.6F1709 W1710F1709-G1743 CarbonylContact C-O 3.56Å; F1709-G1743 WeakPolarHBondContact CA-O 3.43Å; W1710-G1743 PolarHBondContact N-O 3.08Å; W1710-G1743 PolarHBondContact O-N 2.96Å
1744R30.4Very low31.6Very low71 Ų7187.2 Ų87.227%0.26842%0.418SS..EExtended strand (participates in β ladder)trans-129.6135.9-177.3179.4-174.8172.8-175.5-16.2110.8K1707 I1708 F1709 I1746K1707-R1744 VanDerWaalsContact NZ-NH2 3.13Å; I1708-R1744 CarbonylContact O-C 3.49Å; I1708-R1744 WeakPolarHBondContact O-CA 3.33Å; F1709-R1744 HydrophobicContact CD1-CB 3.87Å; F1709-R1744 HydrophobicContact CD1-CG 3.86Å; F1709-R1744 HydrophobicContact CE1-CB 3.95Å; F1709-R1744 VanDerWaalsContact CE1-CD 3.47Å; F1709-R1744 HydrophobicContact CE1-CG 3.57Å; F1709-R1744 HydrophobicContact CZ-CG 4.04Å; R1744-I1746 HydrophobicContact CG-CG1 4.25Å
1745I34Very low31Very low56 Ų5685.1 Ų85.129%0.28742%0.416SS..EExtended strand (participates in β ladder)trans-119.6126.9175.7-57.2172.1000108K1707 I1708K1707-I1745 CarbonylContact C-O 3.49Å; K1707-I1745 WeakPolarHBondContact CA-O 3.44Å; I1708-I1745 HydrophobicContact CB-CB 4.43Å; I1708-I1745 PolarHBondContact N-O 3.2Å; I1708-I1745 PolarHBondContact O-N 3.48Å
1746I31.9Very low30.9Very low44 Ų4485.2 Ų85.223%0.22642%0.422CS..EExtended strand (participates in β ladder)trans-116.5129.6177-51.9172.9000108.1K1707 R1744K1707-I1746 HydrophobicContact CG-CG1 4.24Å; K1707-I1746 HydrophobicContact CG-CG2 4.34Å; R1744-I1746 HydrophobicContact CG-CG1 4.25Å
1747L34.6Very low30.4Very low46 Ų4692.2 Ų92.224%0.24145%0.45CS..EExtended strand (participates in β ladder)trans-100.496.9172.9-59.2171.1000107L1510 E1703 S1704 I1706L1510-L1747 HydrophobicContact CD2-CD2 3.65Å; E1703-L1747 CarbonylContact C-O 3.54Å; E1703-L1747 CarbonylContact O-C 3.51Å; E1703-L1747 VanDerWaalsContact O-C 3.29Å; S1704-L1747 CarbonylContact C-O 3.47Å; S1704-L1747 PolarHBondContact N-O 2.71Å; I1706-L1747 HydrophobicContact CB-CD1 4.36Å; I1706-L1747 HydrophobicContact CG2-CD1 4.46Å; I1706-L1747 PolarHBondContact O-N 2.93Å; I1706-L1747 VanDerWaalsContact O-N 3.16Å
1748S28.2Very low30.1Very low30 Ų3097.3 Ų97.321%0.2146%0.46CS..  trans-131.5121.6177.363.50000112.5S1511 E1703 H1750S1511-S1748 PolarHBondContact OG-O 3.08Å; E1703-S1748 CarbonylContact O-C 3.57Å; E1703-S1748 WeakPolarHBondContact O-CA 3.29Å; E1703-S1748 PolarHBondContact O-N 2.98Å; S1748-H1750 PolarHBondContact O-N 3.27Å; S1748-H1750 PolarHBondContact OG-O 3.01Å
1749A31.4Very low30Very low57 Ų5797 Ų9747%0.47146%0.462SS..SBendtrans-73.2-8.3171.300000113.7E1703E1703-A1749 HydrophobicContact CB-CB 4.2Å; E1703-A1749 PolarHBondContact O-N 2.85Å
1750H30Very low29.6Very low83 Ų8398.9 Ų98.938%0.38448%0.484SS..SBendtrans-131.4148.7-176.7-65-71.1000112.9T1431 S1748 C1752T1431-H1750 WeakPolarHBondContact CG2-NE2 3.22Å; S1748-H1750 PolarHBondContact O-N 3.27Å; S1748-H1750 PolarHBondContact OG-O 3.01Å; H1750-C1752 PolarHBondContact O-N 2.91Å; H1750-C1752 VanDerWaalsContact O-N 3.16Å
1751E30.5Very low29.3Very low198 Ų19898.2 Ų98.293%0.92549%0.494SS*.  trans-64.1104.2169.5-69.2178.816900110
1752C25.3Very low28.9Very low89 Ų89103.4 Ų103.460%0.60152%0.521SS*.  trans-87111.7172.6-165.90000109.4H1750 I1754H1750-C1752 PolarHBondContact O-N 2.91Å; H1750-C1752 VanDerWaalsContact O-N 3.16Å; C1752-I1754 PolarHBondContact O-N 3.35Å
1753Q27.6Very low28.6Very low194 Ų194105.9 Ų105.991%0.90755%0.545SS*.  trans-66.8109.9163.9-83.9-176.5-9.200108.9
1754I26.2Very low28.2Very low93 Ų93113 Ų11348%0.47758%0.582SS.*  trans-85.8112.6-179.2-58.7169.9000108.4C1752 P1756 W1758C1752-I1754 PolarHBondContact O-N 3.35Å; I1754-P1756 WeakPolarHBondContact O-CD 3.43Å; I1754-W1758 HydrophobicContact CG2-CE3 4.03Å; I1754-W1758 HydrophobicContact CG2-CZ3 4.37Å
1755D25.9Very low27.7Very low90 Ų90114.2 Ų114.248%0.48160%0.602SS.*  trans-70.9118.3174-165.7-16000109.3K1757 W1758D1755-K1757 PolarHBondContact O-N 2.73Å; D1755-W1758 PolarHBondContact O-N 2.92Å
1756P29.9Very low27.1Very low97 Ų97117.6 Ų117.663%0.6363%0.625SS**G310 helixtrans-65.7-5.3-170.823.8-34000114.6I1754 W1758I1754-P1756 WeakPolarHBondContact O-CD 3.43Å; P1756-W1758 PolarHBondContact O-N 2.94Å; P1756-W1758 VanDerWaalsContact O-N 3.17Å
1757K27.4Very low26.5Very low168 Ų168119.8 Ų119.873%0.7364%0.644SS**G310 helixtrans-65.9-11.3173.6-71.1-179.1179.41730113.9D1755 F1759D1755-K1757 PolarHBondContact O-N 2.73Å; K1757-F1759 PolarHBondContact O-N 2.89Å
1758W26.8Very low25.9Very low176 Ų176124 Ų12467%0.66767%0.666SS**G310 helixtrans-70.4-12.7179.1-71-1.5000115.1I1754 D1755 P1756 A1760I1754-W1758 HydrophobicContact CG2-CE3 4.03Å; I1754-W1758 HydrophobicContact CG2-CZ3 4.37Å; D1755-W1758 PolarHBondContact O-N 2.92Å; P1756-W1758 PolarHBondContact O-N 2.94Å; P1756-W1758 VanDerWaalsContact O-N 3.17Å; W1758-A1760 PolarHBondContact O-N 2.98Å
1759F31Very low25.7Very low183 Ų183130.5 Ų130.580%0.80369%0.691SS**G310 helixtrans-85.10.3-179.2-67.2-74.7000115K1757K1757-F1759 PolarHBondContact O-N 2.89Å
1760A27.7Very low25.2Very low76 Ų76136.9 Ų136.963%0.62871%0.708SS**SBendtrans-102.5-10.2-165.500000117.5W1758W1758-A1760 PolarHBondContact O-N 2.98Å
1761N23.8Very low25Very low159 Ų159137.4 Ų137.485%0.8572%0.719SS**  trans-123.992.8-169.8-73.4-12.9000113.5
1762E23.5Very low24.6Very low182 Ų182140.6 Ų140.685%0.8572%0.723SS**  trans-74.5148.4158.3-70-177.8146.400110.8
1763T23.6Very low24.4Very low132 Ų132146.5 Ų146.581%0.8173%0.734SS**  trans100.9139.6163.971.60000119.6
1764L21.8Very low24.1Very low149 Ų149145.8 Ų145.878%0.7873%0.731SS**  trans93.498.4-179.4-63149.8000113.8
1765S20.2Very low23.9Very low97 Ų97152.1 Ų152.168%0.67875%0.75SS**  cis69.312439.992.10000116.6
1766T21.6Very low24Very low126 Ų126152.5 Ų152.577%0.77376%0.758SS**  trans95.5101.6158.664.30000122
1767S20.5Very low23.8Very low91 Ų91157.2 Ų157.264%0.63677%0.769SS**  62.3130.6127.466.90000122.8
1768L22Very low23.7Very low133 Ų133156.9 Ų156.970%0.69677%0.774SS**  159.6117.7108.7-75.9167.4000114
1769F22.7Very low23.9Very low168 Ų168153.7 Ų153.774%0.73777%0.77SS**  trans69.3108.9136.3-67.2-59.3000126.8
1770K22.2Very low23.6Very low190 Ų190149.8 Ų149.883%0.82677%0.765SS**  77.1145.9118.9-86.7179.7179.4-1770123.6
1771P25Very low23.8Very low95 Ų95148.6 Ų148.662%0.61776%0.76SS**  trans-110152.2-156.940.3-28.4000114.5
1772W21.5Very low24.1Very low264 Ų264144.6 Ų144.6100%175%0.745SS**  trans-120.2112.3166.2-85.8-18.6000110.8
1773Y21.5Very low24.2Very low214 Ų214140.4 Ų140.484%0.83973%0.732SS**  trans-82.6128.8163.1-82.6-99.1000108.4
1774E21.2Very low24.5Very low179 Ų179136.6 Ų136.684%0.83671%0.714SS**  trans177.986.2151.1-105.4177.1-161.600111
1775Y22.8Very low24.8Very low225 Ų225131.5 Ų131.588%0.88270%0.698SS**  trans-150.1105.3160-86.4-70.1000111.7
1776P27.6Very low25.2Very low99 Ų99132.1 Ų132.164%0.64369%0.693SS**  trans-89.9129.4179.33.415.2000114.3
1777F26Very low25.5Very low196 Ų196130.3 Ų130.386%0.8668%0.678SS**  trans15.7107.1143.3-46.1-76.9000120.2
1778L25.5Very low25.9Very low161 Ų161136.9 Ų136.984%0.84369%0.689SS**  trans-137.216.7-176.7-94.1165.9000117.1
1779N29.5Very low26.3Very low108 Ų108134.3 Ų134.358%0.57868%0.682SS**  trans-119.3128.2-172.6-61.213.2000113.2G1781 S1782N1779-G1781 PolarHBondContact O-N 2.95Å; N1779-G1781 VanDerWaalsContact O-N 3.09Å; N1779-S1782 WeakPolarHBondContact O-CB 3.2Å; N1779-S1782 PolarHBondContact O-N 3.21Å; N1779-S1782 PolarHBondContact O-OG 3.37Å
1780S26.5Very low26.5Very low101 Ų101130.5 Ų130.571%0.70667%0.669SS**Hα-helixtrans-58.5-20.317751.50000114.3S1782 T1783 A1784S1780-S1782 VanDerWaalsContact C-N 3.34Å; S1780-T1783 WeakPolarHBondContact CA-OG1 3.2Å; S1780-T1783 PolarHBondContact O-OG1 3.47Å; S1780-A1784 PolarHBondContact O-N 2.84Å; S1780-A1784 VanDerWaalsContact O-N 3.08Å
1781G30.4Very low26.8Very low51 Ų51127 Ų12753%0.52666%0.66SS.*Hα-helixtrans-65.8-32.5171.100000113.5N1779 A1784 G1785N1779-G1781 PolarHBondContact O-N 2.95Å; N1779-G1781 VanDerWaalsContact O-N 3.09Å; G1781-A1784 PolarHBondContact O-N 3.49Å; G1781-G1785 PolarHBondContact O-N 2.99Å
1782S29.7Very low26.9Very low76 Ų76125.6 Ų125.653%0.53165%0.646SS.*Hα-helixtrans-70.3-37.3178.8-44.70000111.5N1779 S1780 L1786N1779-S1782 WeakPolarHBondContact O-CB 3.2Å; N1779-S1782 PolarHBondContact O-N 3.21Å; N1779-S1782 PolarHBondContact O-OG 3.37Å; S1780-S1782 VanDerWaalsContact C-N 3.34Å; S1782-L1786 PolarHBondContact O-N 3.26Å
1783T27.2Very low27.3Very low94 Ų94117.4 Ų117.458%0.57762%0.615SS**Hα-helixtrans-73.4-37.2174.440.40000112.7S1780 G1785 L1786 L1787S1780-T1783 WeakPolarHBondContact CA-OG1 3.2Å; S1780-T1783 PolarHBondContact O-OG1 3.47Å; T1783-G1785 VanDerWaalsContact C-N 3.34Å; T1783-L1786 PolarHBondContact O-N 3.18Å; T1783-L1787 PolarHBondContact O-N 3.49Å; T1783-L1787 VanDerWaalsContact O-N 3.1Å
1784A28.4Very low27.7Very low52 Ų52111.6 Ų111.643%0.4360%0.598SS.*Hα-helixtrans-67.7-36.2173.900000111.8S1780 G1781 L1786 L1787 W1788S1780-A1784 PolarHBondContact O-N 2.84Å; S1780-A1784 VanDerWaalsContact O-N 3.08Å; G1781-A1784 PolarHBondContact O-N 3.49Å; A1784-L1786 VanDerWaalsContact C-N 3.31Å; A1784-L1786 PolarHBondContact O-N 3.39Å; A1784-L1787 PolarHBondContact O-N 3.47Å; A1784-W1788 PolarHBondContact O-N 3.42Å
1785G28.8Very low27.9Very low42 Ų42107.6 Ų107.643%0.43358%0.582SS.*Hα-helixtrans-61.7-36.5172.900000113.1G1781 T1783 S1789G1781-G1785 PolarHBondContact O-N 2.99Å; T1783-G1785 VanDerWaalsContact C-N 3.34Å; G1785-S1789 WeakPolarHBondContact O-CB 3.34Å; G1785-S1789 PolarHBondContact O-N 3.01Å
1786L28.5Very low28.2Very low110 Ų110101.7 Ų101.758%0.57657%0.565SS**Hα-helixtrans-78.3-28.4178.3-145.9141.7000112.9S1782 T1783 A1784 S1789 N1790S1782-L1786 PolarHBondContact O-N 3.26Å; T1783-L1786 PolarHBondContact O-N 3.18Å; A1784-L1786 VanDerWaalsContact C-N 3.31Å; A1784-L1786 PolarHBondContact O-N 3.39Å; L1786-S1789 WeakPolarHBondContact CA-OG 3.28Å; L1786-S1789 PolarHBondContact O-OG 2.94Å; L1786-N1790 PolarHBondContact O-N 3.19Å
1787L27.4Very low28.3Very low88 Ų8899.7 Ų99.746%0.46155%0.553SS.*Hα-helixtrans-70-39.3171.3-76.2169.5000111.9T1783 A1784 I1792T1783-L1787 PolarHBondContact O-N 3.49Å; T1783-L1787 VanDerWaalsContact O-N 3.1Å; A1784-L1787 PolarHBondContact O-N 3.47Å; L1787-I1792 HydrophobicContact CD2-CD1 4.36Å
1788W29.9Very low28.4Very low228 Ų22896 Ų9686%0.86454%0.542SS*.Hα-helixtrans-73.9-31.3174-9310.8000113.4A1784 N1790A1784-W1788 PolarHBondContact O-N 3.42Å; W1788-N1790 PolarHBondContact O-N 3.06Å
1789S29.7Very low28.6Very low80 Ų8091.3 Ų91.356%0.55952%0.517SS*.Hα-helixtrans-67.9-23.1177.370.50000113.5G1785 L1786G1785-S1789 WeakPolarHBondContact O-CB 3.34Å; G1785-S1789 PolarHBondContact O-N 3.01Å; L1786-S1789 WeakPolarHBondContact CA-OG 3.28Å; L1786-S1789 PolarHBondContact O-OG 2.94Å
1790N27.4Very low28.7Very low88 Ų8889.7 Ų89.747%0.47151%0.513SS..THydrogen-bonded Turntrans-105.110.7-175.5-67.4-19.2000114.2L1786 W1788 I1792L1786-N1790 PolarHBondContact O-N 3.19Å; W1788-N1790 PolarHBondContact O-N 3.06Å; N1790-I1792 HydrophobicContact CB-CD1 4.41Å; N1790-I1792 HydrophobicContact CB-CG1 4.21Å; N1790-I1792 PolarHBondContact O-N 3.01Å; N1790-I1792 VanDerWaalsContact O-N 3.09Å
1791N28.3Very low28.8Very low116 Ų11690 Ų9062%0.6251%0.512SS*.THydrogen-bonded Turntrans46.842.3174.3-90.5-17.7000114.3
1792I27.3Very low28.7Very low65 Ų6594.6 Ų94.633%0.33352%0.523SS..EExtended strand (participates in β ladder)trans-83.9114.9171.5-50.6-177.5000106.8L1787 N1790 I1794 V1930L1787-I1792 HydrophobicContact CD2-CD1 4.36Å; N1790-I1792 HydrophobicContact CB-CD1 4.41Å; N1790-I1792 HydrophobicContact CB-CG1 4.21Å; N1790-I1792 PolarHBondContact O-N 3.01Å; N1790-I1792 VanDerWaalsContact O-N 3.09Å; I1792-I1794 HydrophobicContact CG2-CG1 4.43Å; I1792-V1930 HydrophobicContact CB-CG2 4.43Å; I1792-V1930 HydrophobicContact CG1-CG2 3.91Å; I1792-V1930 HydrophobicContact CG2-CG2 4.33Å
1793W30.5Very low28.7Very low92 Ų9295.8 Ų95.835%0.34852%0.523SS..EExtended strand (participates in β ladder)trans-88.8141.8171.865.4-86.4000109.6D1795 C1928 G1929W1793-D1795 HydrophobicContact CE3-CB 4.07Å; W1793-D1795 HydrophobicContact CZ3-CB 3.81Å; W1793-C1928 CarbonylContact O-C 3.49Å; W1793-C1928 WeakPolarHBondContact O-CA 3.09Å; W1793-C1928 WeakPolarHBondContact O-CB 2.77Å; W1793-G1929 PolarHBondContact N-O 3.13Å; W1793-G1929 PolarHBondContact NE1-O 3.47Å; W1793-G1929 PolarHBondContact O-N 3Å
1794I28.5Very low28.8Very low92 Ų9299 Ų9947%0.47254%0.537SS..EExtended strand (participates in β ladder)trans-131.2119.3-179.2-57.4172.9000105.6I1792 I1796 I1926 Q1927 C1928I1792-I1794 HydrophobicContact CG2-CG1 4.43Å; I1794-I1796 HydrophobicContact CG2-CD1 4.28Å; I1794-I1796 HydrophobicContact CG2-CG1 4.03Å; I1794-I1926 HydrophobicContact CG2-CG2 3.59Å; I1794-Q1927 CarbonylContact C-O 3.45Å; I1794-Q1927 WeakPolarHBondContact CA-O 3.3Å; I1794-C1928 HydrophobicContact CB-CB 4.47Å; I1794-C1928 HydrophobicContact CG1-CB 4.05Å
1795D26.8Very low28.8Very low96 Ų96105.9 Ų105.951%0.51355%0.553SS.*EExtended strand (participates in β ladder)trans-113.7132.1176.7-153-5.3000109.6W1793 I1926 Q1927W1793-D1795 HydrophobicContact CE3-CB 4.07Å; W1793-D1795 HydrophobicContact CZ3-CB 3.81Å; D1795-I1926 CarbonylContact O-C 3.37Å; D1795-I1926 VanDerWaalsContact O-CA 3.3Å; D1795-I1926 WeakPolarHBondContact O-CA 3.17Å; D1795-Q1927 PolarHBondContact N-O 2.96Å; D1795-Q1927 PolarHBondContact O-N 3.16Å
1796I28.9Very low28.8Very low101 Ų101108.9 Ų108.952%0.51857%0.568SS.*EExtended strand (participates in β ladder)trans-128.2106.6-167.1-57.4175.6000107.8I1794 V1924 S1925 I1926I1794-I1796 HydrophobicContact CG2-CD1 4.28Å; I1794-I1796 HydrophobicContact CG2-CG1 4.03Å; I1796-V1924 HydrophobicContact CG2-CG1 3.58Å; I1796-S1925 CarbonylContact C-O 3.58Å; I1796-S1925 WeakPolarHBondContact CA-O 2.73Å; I1796-I1926 HydrophobicContact CG1-CD1 4.45Å; I1796-I1926 HydrophobicContact CG1-CG1 4.08Å; I1796-I1926 HydrophobicContact CG1-CG2 4.07Å; I1796-I1926 HydrophobicContact CG2-CG1 4.18Å
1797S29.5Very low28.8Very low56 Ų56108.2 Ų108.239%0.39257%0.572SS.*EExtended strand (participates in β ladder)trans-108.3140.8176.948.90000112.2S1925S1797-S1925 PolarHBondContact N-O 3.32Å; S1797-S1925 PolarHBondContact O-N 3.43Å; S1797-S1925 PolarHBondContact O-OG 2.89Å; S1797-S1925 VanDerWaalsContact O-OG 3.09Å; S1797-S1925 PolarHBondContact OG-O 2.97Å; S1797-S1925 PolarHBondContact OG-OG 2.77Å
1798L28.4Very low28.9Very low120 Ų120110.8 Ų110.863%0.62859%0.586SS**EExtended strand (participates in β ladder)trans-99.5106.4176.6-74.6158.2000108.7V1922 V1924L1798-V1922 HydrophobicContact CD2-CG1 4.13Å; L1798-V1924 HydrophobicContact CD2-CB 4.47Å; L1798-V1924 HydrophobicContact CD2-CG2 3.7Å
1799D30.2Very low28.6Very low61 Ų61110.4 Ų110.433%0.32659%0.591SS.*EExtended strand (participates in β ladder)trans-82.7124.4179.1-72.8-48.8000110S1923 S1925D1799-S1923 PolarHBondContact N-O 3.19Å; D1799-S1923 PolarHBondContact O-OG 3.42Å; D1799-S1925 PolarHBondContact OD2-OG 3.07Å
1800P30.2Very low28.4Very low74 Ų74118 Ų11848%0.48161%0.607SS.*  trans-63.4148.6172.726-31.8000110.3I1802P1800-I1802 PolarHBondContact O-N 3.4Å
1801P29.9Very low28.3Very low108 Ų108119.7 Ų119.770%0.70162%0.621SS**  trans-62.6107.3-173.125-33.4000110.7L1803P1801-L1803 PolarHBondContact O-N 2.8Å
1802I28.4Very low28.3Very low148 Ų148121.9 Ų121.976%0.75963%0.633SS**  trans-68.5115.3173.9-62.9172.1000107.2P1800 D1804P1800-I1802 PolarHBondContact O-N 3.4Å; I1802-D1804 PolarHBondContact O-N 2.76Å
1803L29.3Very low28.3Very low100 Ų100123.9 Ų123.952%0.52465%0.652SS.*  trans-62.4117.6163.8-89.3125000107.9P1801 Y1805P1801-L1803 PolarHBondContact O-N 2.8Å; L1803-Y1805 HydrophobicContact CB-CD2 3.83Å; L1803-Y1805 HydrophobicContact CB-CE2 3.85Å; L1803-Y1805 HydrophobicContact CD1-CE2 4.45Å; L1803-Y1805 HydrophobicContact CD2-CE2 4.25Å; L1803-Y1805 HydrophobicContact CG-CE2 4.41Å; L1803-Y1805 PolarHBondContact O-N 2.77Å
1804D29.1Very low28.1Very low162 Ų162128.5 Ų128.587%0.86668%0.678SS**  trans-59.481.9162.2-80.3-31.3000109.2I1802 S1806I1802-D1804 PolarHBondContact O-N 2.76Å; D1804-S1806 VanDerWaalsContact C-N 3.33Å; D1804-S1806 PolarHBondContact O-N 3.24Å; D1804-S1806 VanDerWaalsContact O-N 3.08Å
1805Y27.1Very low28.1Very low197 Ų197134 Ų13477%0.77370%0.698SS**  trans-74.496.5162.5-87-80.5000107L1803 S1807L1803-Y1805 HydrophobicContact CB-CD2 3.83Å; L1803-Y1805 HydrophobicContact CB-CE2 3.85Å; L1803-Y1805 HydrophobicContact CD1-CE2 4.45Å; L1803-Y1805 HydrophobicContact CD2-CE2 4.25Å; L1803-Y1805 HydrophobicContact CG-CE2 4.41Å; L1803-Y1805 PolarHBondContact O-N 2.77Å; Y1805-S1807 PolarHBondContact O-N 2.99Å; Y1805-S1807 VanDerWaalsContact O-N 3.08Å
1806S29.6Very low28.2Very low105 Ų105139.4 Ų139.473%0.73472%0.717SS**  trans-38116.8163.356.10000110.3D1804D1804-S1806 VanDerWaalsContact C-N 3.33Å; D1804-S1806 PolarHBondContact O-N 3.24Å; D1804-S1806 VanDerWaalsContact O-N 3.08Å
1807S29Very low28.1Very low95 Ų95141.6 Ų141.666%0.66473%0.729SS**SBendtrans-5.6127.5166.455.90000117.3Y1805Y1805-S1807 PolarHBondContact O-N 2.99Å; Y1805-S1807 VanDerWaalsContact O-N 3.08Å
1808N28Very low28.4Very low143 Ų143143.8 Ų143.877%0.76574%0.736SS**  trans108.566.3159.5-54.5-23.3000116.8
1809F24.4Very low28.8Very low219 Ų219141.6 Ų141.696%0.96173%0.729SS**  trans-148.7117147.4-103.3-77.2000112V1811F1809-V1811 PolarHBondContact O-N 3.23Å
1810R26.3Very low29.1Very low239 Ų239144.1 Ų144.190%0.90274%0.739SS**  trans-61.5126.1174.7-82.3176.1169175.9-4.4110.9
1811V24.5Very low29.7Very low125 Ų125143.4 Ų143.476%0.75874%0.736SS**  trans18.7101.9143.5-169.90000116.1F1809F1809-V1811 PolarHBondContact O-N 3.23Å
1812N28Very low30.3Very low162 Ų162141.1 Ų141.187%0.86672%0.716SS**  trans-147.888.3142.5-97-20.1000107.7Q1814N1812-Q1814 PolarHBondContact O-N 2.78Å
1813S28.3Very low30.8Very low106 Ų106135.6 Ų135.674%0.74169%0.688SS**  trans-65.9102.9174.248.90000110.3
1814Q26.4Very low31.8Very low190 Ų190131.4 Ų131.489%0.88867%0.667SS**  trans161.168151.3-90174.712.300109.9N1812N1812-Q1814 PolarHBondContact O-N 2.78Å
1815K27.8Very low32.7Very low207 Ų207128.5 Ų128.590%0.965%0.651SS**  trans-138.2121.2160.1-77.1-169.3177.4177.70109.9
1816K28.5Very low33.7Very low210 Ų210122.4 Ų122.491%0.91363%0.629SS**PPolyproline II helixtrans-53.9135.5178.6-73.7174.7172.9177.50110.7
1817L27.3Very low34.7Very low147 Ų147118.2 Ų118.277%0.7760%0.6SS**PPolyproline II helixtrans-57.5135.9174.6-86.1107.1000111.6
1818D35.7Very low35.6Very low102 Ų102119.9 Ų119.955%0.54559%0.592SS.*PPolyproline II helixtrans-73.6128.4-178.9-156-18.1000110.8Q1820 S1821D1818-Q1820 PolarHBondContact O-N 3.23Å; D1818-S1821 PolarHBondContact O-N 3.06Å; D1818-S1821 PolarHBondContact O-OG 3.22Å; D1818-S1821 VanDerWaalsContact O-OG 3.07Å
1819P36.4Very low36.7Very low74 Ų74118.3 Ų118.348%0.48158%0.58SS.*G310 helixtrans-58.1-11.3-175.617.8-33000116.3S1821 Q1822P1819-S1821 PolarHBondContact O-N 2.75Å; P1819-Q1822 PolarHBondContact O-N 2.9Å
1820Q38Very low37.9Very low113 Ų113112.9 Ų112.953%0.52856%0.561SS.*G310 helixtrans-61.7-21.8176.2-63.5-173.7-0.700113.9D1818 Q1822D1818-Q1820 PolarHBondContact O-N 3.23Å; Q1820-Q1822 VanDerWaalsContact C-N 3.26Å; Q1820-Q1822 PolarHBondContact O-N 2.62Å
1821S41.1Very low38.5Very low59 Ų59109.5 Ų109.541%0.41355%0.549SS..G310 helixtrans-75.5-8.7-179.155.50000114.5D1818 P1819D1818-S1821 PolarHBondContact O-N 3.06Å; D1818-S1821 PolarHBondContact O-OG 3.22Å; D1818-S1821 VanDerWaalsContact O-OG 3.07Å; P1819-S1821 PolarHBondContact O-N 2.75Å
1822Q42.3Very low39.5Very low60 Ų60108.1 Ų108.128%0.2855%0.545SS..G310 helixtrans-1005.7-174.2-65.3-179.3-13.900114.8P1819 Q1820 R1844P1819-Q1822 PolarHBondContact O-N 2.9Å; Q1820-Q1822 VanDerWaalsContact C-N 3.26Å; Q1820-Q1822 PolarHBondContact O-N 2.62Å; Q1822-R1844 HydrophobicContact CB-CG 4.4Å; Q1822-R1844 WeakPolarHBondContact O-CA 3.03Å
1823L40.8Very low40Very low32 Ų32107.7 Ų107.717%0.16854%0.541CS..BIsolated β-bridgetrans-102.1151.2-177.9-65.9171.1000112.1C1827 Q1842 R1844L1823-C1827 HydrophobicContact CB-CB 4.47Å; L1823-Q1842 HydrophobicContact CD2-CB 3.74Å; L1823-Q1842 HydrophobicContact CD2-CG 4.25Å; L1823-R1844 HydrophobicContact CD2-CG 4.28Å
1824C49.8Very low40.2Very low13 Ų13106.3 Ų106.39%0.08854%0.536CS..  trans-64.4154171.191.20000111.4Q1826 C1827 R1828C1824-Q1826 VanDerWaalsContact C-N 3.31Å; C1824-Q1826 PolarHBondContact O-N 3.19Å; C1824-C1827 PolarHBondContact O-N 2.79Å; C1824-R1828 PolarHBondContact O-N 3.08Å
1825L47Very low40.5Very low101 Ų101109.4 Ų109.453%0.52954%0.539SS..Hα-helixtrans-53.5-39.2-172-101.7151.6000114.2R1828 Q1829L1825-R1828 WeakPolarHBondContact O-CB 3.24Å; L1825-R1828 PolarHBondContact O-N 2.7Å; L1825-Q1829 PolarHBondContact O-N 3.29Å; L1825-Q1829 VanDerWaalsContact O-N 3.11Å
1826Q48.4Very low40.5Very low68 Ų68110.1 Ų110.132%0.31854%0.536SS..Hα-helixtrans-72.9-44.2179.3-161.868.422.100112.4C1824 R1828 Q1829 D1830 Y1917C1824-Q1826 VanDerWaalsContact C-N 3.31Å; C1824-Q1826 PolarHBondContact O-N 3.19Å; Q1826-R1828 PolarHBondContact O-N 3.48Å; Q1826-Q1829 PolarHBondContact O-N 2.9Å; Q1826-Q1829 VanDerWaalsContact O-N 3.08Å; Q1826-D1830 PolarHBondContact O-N 2.84Å; Q1826-Y1917 HydrophobicContact CB-CD2 4.13Å; Q1826-Y1917 HydrophobicContact CG-CD2 4.28Å; Q1826-Y1917 HydrophobicContact CG-CE2 4.26Å
1827C49.8Very low40.5Very low18 Ų18106.3 Ų106.312%0.12253%0.531CS..Hα-helixtrans-62.2-26.1173.5-67.90000112.2L1823 C1824 Q1842 C1915L1823-C1827 HydrophobicContact CB-CB 4.47Å; C1824-C1827 PolarHBondContact O-N 2.79Å; C1827-Q1842 HydrophobicContact CB-CG 4.42Å; C1827-C1915 VanDerWaalsContact SG-SG 3.62Å
1828R48.3Very low40.7Very low130 Ų130105.5 Ų105.549%0.49153%0.533SS..Hα-helixtrans-75.2-34.4174.1-163.6176.6-179.9-176.8-0.1112.6C1824 L1825 Q1826C1824-R1828 PolarHBondContact O-N 3.08Å; L1825-R1828 WeakPolarHBondContact O-CB 3.24Å; L1825-R1828 PolarHBondContact O-N 2.7Å; Q1826-R1828 PolarHBondContact O-N 3.48Å
1829Q51.4Low40.3Very low110 Ų110108 Ų10851%0.51455%0.551SS.*Hα-helixtrans-74.9-44.4177.5-74.3-178.20.100112.5L1825 Q1826 Y1831 S1832L1825-Q1829 PolarHBondContact O-N 3.29Å; L1825-Q1829 VanDerWaalsContact O-N 3.11Å; Q1826-Q1829 PolarHBondContact O-N 2.9Å; Q1826-Q1829 VanDerWaalsContact O-N 3.08Å; Q1829-Y1831 VanDerWaalsContact C-N 3.28Å; Q1829-Y1831 PolarHBondContact O-N 3.08Å; Q1829-S1832 PolarHBondContact O-N 3.39Å; Q1829-S1832 PolarHBondContact O-OG 3.28Å
1830D49.2Very low40Very low105 Ų105108.9 Ų108.956%0.56156%0.558SS**Hα-helixtrans-69.3-23.7-177-69.6-27.5000113.3Q1826 S1832 I1833Q1826-D1830 PolarHBondContact O-N 2.84Å; D1830-S1832 PolarHBondContact O-N 3.48Å; D1830-S1832 VanDerWaalsContact O-N 3.16Å; D1830-I1833 PolarHBondContact O-N 3.25Å
1831Y39.8Very low39.5Very low168 Ų168108 Ų10866%0.65956%0.56SS**THydrogen-bonded Turntrans-64.8-17.9176.4-142.4-93.5000113.5Q1829 Q1842Q1829-Y1831 VanDerWaalsContact C-N 3.28Å; Q1829-Y1831 PolarHBondContact O-N 3.08Å; Y1831-Q1842 VanDerWaalsContact CE2-NE2 3.32Å
1832S45.6Very low39.1Very low96 Ų96109 Ų10967%0.67156%0.558SS**THydrogen-bonded Turntrans-81.7-18.8-177.966.40000114.5Q1829 D1830Q1829-S1832 PolarHBondContact O-N 3.39Å; Q1829-S1832 PolarHBondContact O-OG 3.28Å; D1830-S1832 PolarHBondContact O-N 3.48Å; D1830-S1832 VanDerWaalsContact O-N 3.16Å
1833I37.4Very low38.4Very low152 Ų152113.2 Ų113.278%0.77957%0.572SS**THydrogen-bonded Turntrans-113.8-20.7-168.3-61.9175.3000114.8D1830D1830-I1833 PolarHBondContact O-N 3.25Å
1834A33.1Very low37.9Very low77 Ų77119.8 Ų119.864%0.63660%0.595SS**  trans-111.584-176.500000113.2R1836A1834-R1836 VanDerWaalsContact C-N 3.26Å; A1834-R1836 PolarHBondContact O-N 3.41Å
1835R33.5Very low36.9Very low255 Ų255123.8 Ų123.896%0.96261%0.614SS**  trans-78.18.6179.6-116.1-177.8-169.7-179.23.7115.6
1836R27.7Very low36Very low222 Ų222123.6 Ų123.684%0.83862%0.621SS**SBendtrans-148.1137.5173.6-73.7-174.6175.5166.1-3110A1834A1834-R1836 VanDerWaalsContact C-N 3.26Å; A1834-R1836 PolarHBondContact O-N 3.41Å
1837T28.2Very low35Very low131 Ų131124.9 Ų124.980%0.80464%0.638SS**SBendtrans73.6124.916649.40000119.9
1838T30.7Very low33.7Very low130 Ų130132 Ų13280%0.79867%0.673SS**  trans78.3105.7159.260.40000119.6C1840T1838-C1840 PolarHBondContact O-N 3.26Å
1839V28.2Very low32.6Very low153 Ų153130 Ų13093%0.92768%0.678SS**  trans-69.999179.4177.70000110.3
1840C29.7Very low31.3Very low94 Ų94133.6 Ų133.664%0.63570%0.698SS**  trans-88.8141.2167.5-70.10000110.4T1838 Q1842T1838-C1840 PolarHBondContact O-N 3.26Å; C1840-Q1842 PolarHBondContact O-N 2.93Å
1841T28.6Very low30.1Very low94 Ų94137.1 Ų137.158%0.57772%0.715SS**  trans-60.7115.3-172.244.80000114.2
1842Q32Very low29.3Very low79 Ų79136.9 Ų136.937%0.36972%0.724SS.*  trans-107.2135-176.6-68.6176.7-600112.5L1823 C1827 Y1831 C1840L1823-Q1842 HydrophobicContact CD2-CB 3.74Å; L1823-Q1842 HydrophobicContact CD2-CG 4.25Å; C1827-Q1842 HydrophobicContact CB-CG 4.42Å; Y1831-Q1842 VanDerWaalsContact CE2-NE2 3.32Å; C1840-Q1842 PolarHBondContact O-N 2.93Å
1843R27.5Very low28.3Very low150 Ų150140.1 Ų140.157%0.56673%0.734SS**  trans-87.9131.8175.6-83.5-178170.3175.8-3.3112.2
1844R29.2Very low27.6Very low170 Ų170142.2 Ų142.264%0.64274%0.741SS**BIsolated β-bridgetrans-121.9149.5179.9-78.2-176.8179.4168.40.3113.7Q1822 L1823Q1822-R1844 HydrophobicContact CB-CG 4.4Å; Q1822-R1844 WeakPolarHBondContact O-CA 3.03Å; L1823-R1844 HydrophobicContact CD2-CG 4.28Å
1845I29.5Very low27.1Very low97 Ų97147 Ų14750%0.49775%0.75SS.*PPolyproline II helixtrans-100.6126.9174.1-58.3171.9000110L1919I1845-L1919 HydrophobicContact CD1-CD2 4.25Å; I1845-L1919 HydrophobicContact CG1-CD2 4.2Å
1846S27.4Very low26.5Very low96 Ų96142.7 Ų142.767%0.67175%0.745SS**PPolyproline II helixtrans-92124.9-17954.80000113.1
1847S28.1Very low26.4Very low96 Ų96140.2 Ų140.267%0.67175%0.748SS**PPolyproline II helixtrans-82.2123.8-170.8-26.90000114.7
1848I23.4Very low26.1Very low168 Ų168140 Ų14086%0.86275%0.746SS**  trans-121.647.3176.4-51.1178.2000111.4
1849S23.8Very low25.7Very low86 Ų86141.2 Ų141.260%0.60175%0.748SS**  trans-129.632.3-170.380.60000117.6
1850M24.5Very low25.4Very low187 Ų187139.2 Ų139.292%0.92174%0.736SS**SBendtrans-125.67.6175.1-85.7-138.4116.300117
1851L24.4Very low25Very low178 Ų178141.5 Ų141.593%0.93274%0.742SS**SBendtrans-102.2-3.7-178.2-99.1156.9000116.1
1852L23.6Very low24.7Very low163 Ų163142.6 Ų142.685%0.85375%0.749SS**SBendtrans-118.8-2.2-171.4-89.4162.2000117.7
1853N23.7Very low24.1Very low164 Ų164146.1 Ų146.188%0.87777%0.77SS**  trans-120.338-174.8-77.9-8.7000115.2
1854Q23.3Very low24.1Very low196 Ų196147.3 Ų147.392%0.91679%0.786SS**  trans-122.930.1173.6-139.8176.612.500114.8
1855E21.6Very low23.6Very low179 Ų179144.5 Ų144.584%0.83679%0.788SS**SBendtrans-121.5139.9151.9-73.7-173.416000107.3
1856L22.5Very low23.3Very low163 Ų163146.5 Ų146.585%0.85380%0.8SS**  trans88.162.6-179.1-60.1149.8000117.5
1857L24.2Very low23.1Very low171 Ų171147.6 Ų147.690%0.89580%0.802SS**  trans-133.791.6140-88.7170.7000109N1859L1857-N1859 PolarHBondContact O-N 3.43Å
1858T21.6Very low22.8Very low126 Ų126150.8 Ų150.877%0.77381%0.81SS**  trans-61.5120162.6480000109.1
1859N22.8Very low22.8Very low155 Ų155147.4 Ų147.483%0.82981%0.807SS**  trans-148.3125.6156.7-108.5-17000111.6L1857L1857-N1859 PolarHBondContact O-N 3.43Å
1860T21.3Very low22.6Very low111 Ų111152.8 Ų152.868%0.68182%0.82SS**  trans-55.3138.6172.847.60000113.5
1861N22.1Very low22.5Very low142 Ų142149 Ų14976%0.75981%0.812SS**  162.1116.4123.4-83-22.7000113.6
1862T22.5Very low22.5Very low118 Ų118149.5 Ų149.572%0.72481%0.81SS**  trans38.9119.9135.961.50000121.6
1863N20Very low22.3Very low153 Ų153149.5 Ų149.582%0.81881%0.81SS**  trans35.1113.4137.5-65.1-15.4000119
1864I26.1Very low22.2Very low174 Ų174148.3 Ų148.389%0.89280%0.803SS**  -152.2124.1129.5-88.6135.9000108.4
1865T20.4Very low22Very low112 Ų112145.6 Ų145.669%0.68780%0.795SS**  trans-68.9157.7172.841.20000113.9
1866N22.3Very low22.1Very low138 Ų138145.3 Ų145.374%0.73880%0.798SS**  trans101.4119.1146-68.3-15.1000121
1867T23.3Very low22Very low119 Ų119146.3 Ų146.373%0.7380%0.796SS**  trans73.2100.8133.950.30000120.6
1868I21.6Very low22Very low163 Ų163146.3 Ų146.384%0.83680%0.795SS**  25.8115.8115.7-54.3171.4000116.2
1869A23.5Very low22Very low97 Ų97148.8 Ų148.880%0.80280%0.797SS**  trans-159.4116.1135.100000111.1
1870K19.5Very low21.9Very low200 Ų200150.3 Ų150.387%0.8780%0.8SS**  trans-52.4141.5163.1-69.1167.3172.4173.70110.5
1871S22Very low22.1Very low107 Ų107150.8 Ų150.875%0.74881%0.808SS**  173.9149120.955.80000113.3
1872Q23.8Very low22.9Very low189 Ų189149.9 Ų149.988%0.88381%0.81SS**  trans90.871.3159.2-49.8-161.7-1400118.7
1873L20Very low23Very low163 Ų163150.2 Ų150.285%0.85381%0.811SS**  trans-94.6121.8139.6-172.481.1000107
1874N21Very low23.2Very low139 Ų139146.2 Ų146.274%0.74381%0.806SS**  trans-174.6128149.5-96.7-14.5000113.1
1875N20.9Very low23Very low138 Ų138147.3 Ų147.374%0.73881%0.805SS**  trans74.3113.1149.4-57.7-23.7000120.2
1876L23.5Very low23.2Very low174 Ų174153 Ų15391%0.91181%0.814SS**  -175.9137.1102.6-94.5159.7000112.5
1877K19.7Very low23.1Very low184 Ų184156.1 Ų156.180%0.882%0.82SS**  trans-73.5146.3-178.5-65.6170.7170.9-177.90112
1878I23.4Very low23.1Very low171 Ų171158.6 Ų158.688%0.87783%0.827SS**  trans-122.9115.7161.9-65.3175.7000107.2
1879E21.9Very low23.2Very low177 Ų177155.7 Ų155.783%0.82782%0.822SS**  trans-86.4155.3178.3-78.9177.1165.700112.5
1880Q20.5Very low23.1Very low188 Ų188159 Ų15988%0.87983%0.825SS**  trans-81.4154.4-176.4-61.9157.9-28.600112.9
1881S25.4Very low23.4Very low121 Ų121154.8 Ų154.885%0.84682%0.818SS**  trans-179.215513542.90000112.5
1882P40Very low23.5Very low123 Ų123156.6 Ų156.680%0.79982%0.819SS**  trans-112.2158.8-14239.2-29.6000115.1
1883V24.2Very low23.6Very low125 Ų125155.5 Ų155.576%0.75882%0.818SS**  trans-127.1105.5171.2177.50000109F1885V1883-F1885 HydrophobicContact CG1-CD2 3.56Å; V1883-F1885 HydrophobicContact CG1-CE2 3.51Å
1884G23.1Very low24Very low69 Ų69159.3 Ų159.371%0.71182%0.822SS**  trans-84.8138.516800000111.6
1885F23.8Very low24.2Very low197 Ų197158 Ų15886%0.86482%0.818SS**  trans-142.5143.9164.1-85.5-71000112.2V1883V1883-F1885 HydrophobicContact CG1-CD2 3.56Å; V1883-F1885 HydrophobicContact CG1-CE2 3.51Å
1886R22.9Very low24.5Very low232 Ų232156 Ų15688%0.87582%0.816SS**  trans-81.8156.1-155-79.5173.2166.9169.9-5.2116.4
1887K21.8Very low25Very low202 Ų202157 Ų15788%0.87882%0.815SS**  trans-37128.7156.9-63.7173.9176.3177.50114.2
1888I22.3Very low25.5Very low171 Ų171158.2 Ų158.288%0.87782%0.821SS**  trans-115.5101.3155.1-63.9172.1000105.7
1889S23.6Very low25.7Very low102 Ų102154.9 Ų154.971%0.71381%0.812SS**PPolyproline II helixtrans-93.2129.1170.943.10000107.9
1890L22.4Very low25.9Very low168 Ų168152.4 Ų152.488%0.8880%0.804SS**PPolyproline II helixtrans-64.5123.2170.9-136.589.8000107.7
1891P24.3Very low26.5Very low110 Ų110152.7 Ų152.771%0.71481%0.807SS**PPolyproline II helixtrans-77.1135.9-171.927.7-30.9000112.5L1893P1891-L1893 PolarHBondContact O-N 3.01Å
1892D25.5Very low26.8Very low146 Ų146152.2 Ų152.278%0.78180%0.804SS**PPolyproline II helixtrans-47.6118.9177.7-94.4-40.9000113.7R1894D1892-R1894 PolarHBondContact O-N 2.97Å
1893L25.8Very low26.2Very low165 Ų165152.8 Ų152.886%0.86480%0.799SS**THydrogen-bonded Turntrans-73.734.2-179.1-86.1165.2000114.9P1891P1891-L1893 PolarHBondContact O-N 3.01Å
1894R27.4Very low26.5Very low244 Ų244151.5 Ų151.592%0.92179%0.788SS**THydrogen-bonded Turntrans-138.823172.5-68.7-168-179.3175.91.7115D1892D1892-R1894 PolarHBondContact O-N 2.97Å
1895V26.1Very low27.1Very low110 Ų110156.6 Ų156.667%0.66779%0.79SS**SBendtrans-97130.8168.8-175.70000109.9
1896S27.5Very low27.7Very low98 Ų98154 Ų15469%0.68578%0.781SS**  trans-40.3136.5-169.152.70000116.9K1898S1896-K1898 VanDerWaalsContact C-N 3.26Å; S1896-K1898 PolarHBondContact O-N 3.46Å
1897Q32.5Very low28Very low194 Ų194148.1 Ų148.191%0.90777%0.767SS**THydrogen-bonded Turntrans-55.923.4-168-121.6173200120
1898K31Very low28.4Very low210 Ų210144.7 Ų144.791%0.91376%0.758SS**THydrogen-bonded Turntrans-114.22.2-178.3-86.4-172.5176.6-1790117.6S1896S1896-K1898 VanDerWaalsContact C-N 3.26Å; S1896-K1898 PolarHBondContact O-N 3.46Å
1899S27.1Very low28.8Very low100 Ų100145.8 Ų145.870%0.69975%0.752SS**SBendtrans-120.210.5174.956.10000115.6
1900I27.5Very low29.1Very low126 Ų126145 Ų14565%0.64675%0.746SS**  trans-100.458.7173.2-49.3174.3000110.4
1901M31.8Very low29.3Very low193 Ų193141.7 Ų141.795%0.95174%0.737SS**SBendtrans-130.421.3170.1-85.2-162.7101.500114.7
1902S31.2Very low29.5Very low111 Ų111140.6 Ų140.678%0.77673%0.732SS**  trans-146.225.6175.2730000116.9
1903I28.5Very low29.7Very low136 Ų136144.1 Ų144.170%0.69774%0.735SS**SBendtrans-99.6114165.3-60.4177000107.8
1904N31Very low29.9Very low98 Ų98142.4 Ų142.452%0.52473%0.725SS.*  trans-67.9134.1-170.9-161.73.5000110.6E1906 D1907N1904-E1906 PolarHBondContact O-N 3.2Å; N1904-D1907 PolarHBondContact O-N 3.43Å
1905K35.4Very low30.2Very low175 Ų175132.4 Ų132.476%0.76169%0.692SS**Hα-helixtrans-59.5-18.8-174.2-87.4-179.5174.4178.10114
1906E35.1Very low30.6Very low143 Ų143133 Ų13367%0.66870%0.697SS**Hα-helixtrans-72.3-32.7-179.6-67.3176.1165.500112.8N1904 L1908 Y1909 S1910N1904-E1906 PolarHBondContact O-N 3.2Å; E1906-L1908 PolarHBondContact O-N 3.16Å; E1906-Y1909 PolarHBondContact O-N 2.99Å; E1906-Y1909 VanDerWaalsContact O-N 3.14Å; E1906-S1910 PolarHBondContact O-N 3.43Å
1907D30.6Very low30.9Very low109 Ų109135 Ų13558%0.58369%0.69SS**Hα-helixtrans-70.1-34.3-179.4-72-28.7000111.9N1904 Y1909 S1910N1904-D1907 PolarHBondContact O-N 3.43Å; D1907-Y1909 VanDerWaalsContact C-N 3.3Å; D1907-Y1909 PolarHBondContact O-N 3.03Å; D1907-S1910 PolarHBondContact O-N 3.34Å; D1907-S1910 PolarHBondContact O-OG 3.39Å; D1907-S1910 VanDerWaalsContact O-OG 3.07Å
1908L29Very low30.9Very low130 Ų130131 Ų13168%0.68168%0.681SS**Hα-helixtrans-70.2-24.2173.1-77.7168000112.9E1906E1906-L1908 PolarHBondContact O-N 3.16Å
1909Y31.8Very low30.9Very low193 Ų193125.3 Ų125.376%0.75766%0.66SS**Hα-helixtrans-79.2-25.3177.8-108.9-82.9000112.9E1906 D1907 S1912E1906-Y1909 PolarHBondContact O-N 2.99Å; E1906-Y1909 VanDerWaalsContact O-N 3.14Å; D1907-Y1909 VanDerWaalsContact C-N 3.3Å; D1907-Y1909 PolarHBondContact O-N 3.03Å; Y1909-S1912 PolarHBondContact O-OG 3.47Å
1910S29.3Very low31.2Very low85 Ų85126.2 Ų126.259%0.59466%0.657SS**Hα-helixtrans-80.9-23.6-174.470.50000115.2E1906 D1907 S1912E1906-S1910 PolarHBondContact O-N 3.43Å; D1907-S1910 PolarHBondContact O-N 3.34Å; D1907-S1910 PolarHBondContact O-OG 3.39Å; D1907-S1910 VanDerWaalsContact O-OG 3.07Å; S1910-S1912 VanDerWaalsContact C-N 3.32Å; S1910-S1912 PolarHBondContact O-N 3Å
1911S26.7Very low31.4Very low99 Ų99123.8 Ų123.869%0.69265%0.649SS**THydrogen-bonded Turntrans-81.61.1-175.158.50000115.5
1912S28.6Very low31.3Very low88 Ų88118.7 Ų118.762%0.61563%0.629SS**THydrogen-bonded Turntrans-99.95.8-172.362.70000116.3Y1909 S1910 I1914Y1909-S1912 PolarHBondContact O-OG 3.47Å; S1910-S1912 VanDerWaalsContact C-N 3.32Å; S1910-S1912 PolarHBondContact O-N 3Å; S1912-I1914 PolarHBondContact O-N 3.01Å
1913R29.1Very low31.2Very low220 Ų220114.6 Ų114.683%0.8360%0.6SS**  trans-94.889.7-178.6-68.4-171.8178.6-173.10.9113.3
1914I31.2Very low31.2Very low128 Ų128109.7 Ų109.766%0.65658%0.577SS**  trans-89136.2169.2-64.3167.4000109.7S1912 T1916S1912-I1914 PolarHBondContact O-N 3.01Å; I1914-T1916 PolarHBondContact O-N 3.49Å
1915C33.3Very low31.2Very low35 Ų35105.3 Ų105.324%0.23655%0.553CS.*  trans-67.5116.9177.5-179.50000112C1827C1827-C1915 VanDerWaalsContact SG-SG 3.62Å
1916T34.9Very low30.8Very low123 Ų12399 Ų9976%0.75553%0.528SS*.  trans-101.54.1-173.949.50000115.3I1914I1914-T1916 PolarHBondContact O-N 3.49Å
1917Y33.3Very low30.5Very low139 Ų13995.7 Ų95.755%0.54551%0.512SS..PPolyproline II helixtrans-77.2141-176.8-80.1-82.3000113.8Q1826Q1826-Y1917 HydrophobicContact CB-CD2 4.13Å; Q1826-Y1917 HydrophobicContact CG-CD2 4.28Å; Q1826-Y1917 HydrophobicContact CG-CE2 4.26Å
1918P33.4Very low30.5Very low110 Ų11092.9 Ų92.971%0.71450%0.5SS*.PPolyproline II helixtrans-70.2153-17627.1-33.7000114.6
1919L29.3Very low30.5Very low91 Ų9187.2 Ų87.248%0.47647%0.474SS..PPolyproline II helixtrans-80.2150.4178.3-71.1158.2000111.5I1845I1845-L1919 HydrophobicContact CD1-CD2 4.25Å; I1845-L1919 HydrophobicContact CG1-CD2 4.2Å
1920N35Very low30.4Very low119 Ų11981.9 Ų81.964%0.63646%0.461SS*.PPolyproline II helixtrans-68.1139.1176.2-80.1-4.8000111.7
1921P30Very low30.3Very low75 Ų7587.2 Ų87.249%0.48747%0.468SS..PPolyproline II helixtrans-72.6149.3-17529.7-35.8000113.8W1973P1921-W1973 HydrophobicContact CB-CE3 4.41Å; P1921-W1973 HydrophobicContact CB-CZ3 4.41Å; P1921-W1973 HydrophobicContact CG-CE3 4.16Å; P1921-W1973 HydrophobicContact CG-CH2 3.93Å; P1921-W1973 HydrophobicContact CG-CZ3 3.67Å
1922V29.7Very low30.4Very low85 Ų8590.7 Ų90.752%0.51547%0.473SS..PPolyproline II helixtrans-98133.2179.5179.50000109.7L1798L1798-V1922 HydrophobicContact CD2-CG1 4.13Å
1923S30.1Very low30.3Very low26 Ų2690.7 Ų90.718%0.18247%0.473CS..EExtended strand (participates in β ladder)trans-82.9141.9176.843.30000112.7D1799D1799-S1923 PolarHBondContact N-O 3.19Å; D1799-S1923 PolarHBondContact O-OG 3.42Å
1924V29.3Very low30.1Very low33 Ų3389.8 Ų89.820%0.248%0.476CS..EExtended strand (participates in β ladder)trans-121.7121.4-179.3-173.10000108I1796 L1798 I1926 E1970I1796-V1924 HydrophobicContact CG2-CG1 3.58Å; L1798-V1924 HydrophobicContact CD2-CB 4.47Å; L1798-V1924 HydrophobicContact CD2-CG2 3.7Å; V1924-I1926 HydrophobicContact CG1-CG1 4.23Å; V1924-E1970 CarbonylContact O-C 3.51Å
1925S29.3Very low29.8Very low5 Ų589.6 Ų89.64%0.03548%0.475CS..EExtended strand (participates in β ladder)trans-99.5127.6173.645.20000110.9I1796 S1797 D1799 I1969I1796-S1925 CarbonylContact C-O 3.58Å; I1796-S1925 WeakPolarHBondContact CA-O 2.73Å; S1797-S1925 PolarHBondContact N-O 3.32Å; S1797-S1925 PolarHBondContact O-N 3.43Å; S1797-S1925 PolarHBondContact O-OG 2.89Å; S1797-S1925 VanDerWaalsContact O-OG 3.09Å; S1797-S1925 PolarHBondContact OG-O 2.97Å; S1797-S1925 PolarHBondContact OG-OG 2.77Å; D1799-S1925 PolarHBondContact OD2-OG 3.07Å; S1925-I1969 WeakPolarHBondContact CA-O 3.25Å
1926I28.9Very low29.5Very low43 Ų4398 Ų9822%0.22150%0.502CS..EExtended strand (participates in β ladder)trans-119.4124.6-180-53.4180000109.6I1794 D1795 I1796 V1924 I1969I1794-I1926 HydrophobicContact CG2-CG2 3.59Å; D1795-I1926 CarbonylContact O-C 3.37Å; D1795-I1926 VanDerWaalsContact O-CA 3.3Å; D1795-I1926 WeakPolarHBondContact O-CA 3.17Å; I1796-I1926 HydrophobicContact CG1-CD1 4.45Å; I1796-I1926 HydrophobicContact CG1-CG1 4.08Å; I1796-I1926 HydrophobicContact CG1-CG2 4.07Å; I1796-I1926 HydrophobicContact CG2-CG1 4.18Å; V1924-I1926 HydrophobicContact CG1-CG1 4.23Å; I1926-I1969 PolarHBondContact N-O 3.43Å; I1926-I1969 PolarHBondContact O-N 3.23Å
1927Q28.1Very low29.1Very low74 Ų7499 Ų9935%0.34650%0.503SS..EExtended strand (participates in β ladder)trans-112.5140.9173.3-73.6-175.7-34.500110.3I1794 D1795I1794-Q1927 CarbonylContact C-O 3.45Å; I1794-Q1927 WeakPolarHBondContact CA-O 3.3Å; D1795-Q1927 PolarHBondContact N-O 2.96Å; D1795-Q1927 PolarHBondContact O-N 3.16Å
1928C29.6Very low28.7Very low49 Ų4997.8 Ų97.833%0.33150%0.504SS..EExtended strand (participates in β ladder)trans-148.3151179.261.40000113.3W1793 I1794W1793-C1928 CarbonylContact O-C 3.49Å; W1793-C1928 WeakPolarHBondContact O-CA 3.09Å; W1793-C1928 WeakPolarHBondContact O-CB 2.77Å; I1794-C1928 HydrophobicContact CB-CB 4.47Å; I1794-C1928 HydrophobicContact CG1-CB 4.05Å
1929G28.8Very low28.1Very low12 Ų12101 Ų10112%0.12451%0.507CS..EExtended strand (participates in β ladder)trans-163.3164.9-179.400000114.2W1793W1793-G1929 PolarHBondContact N-O 3.13Å; W1793-G1929 PolarHBondContact NE1-O 3.47Å; W1793-G1929 PolarHBondContact O-N 3Å
1930V30.2Very low27.8Very low80 Ų80104.4 Ų104.449%0.48552%0.523SS..EExtended strand (participates in β ladder)trans-123128.8-173.6-169.20000110.6I1792I1792-V1930 HydrophobicContact CB-CG2 4.43Å; I1792-V1930 HydrophobicContact CG1-CG2 3.91Å; I1792-V1930 HydrophobicContact CG2-CG2 4.33Å
1931R28.3Very low27.2Very low198 Ų198107.1 Ų107.175%0.74753%0.532SS*.SBendtrans-102.5118.8177-76-177.6173.3178.9-0.7110
1932Q28.5Very low27Very low172 Ų172110.9 Ų110.980%0.80455%0.548SS*.SBendtrans9499.3-179.4-59-179.2-12.700115.9F1934Q1932-F1934 PolarHBondContact O-N 2.97Å
1933S25.9Very low26.7Very low87 Ų87115 Ų11561%0.60856%0.562SS**  trans-80101.1178.669.60000112.5L1935S1933-L1935 VanDerWaalsContact C-N 3.25Å
1934F24.9Very low26.5Very low202 Ų202117.5 Ų117.589%0.88658%0.584SS**SBendtrans-84.2-1.1158.2-94.4-81.1000113.2Q1932 R1936Q1932-F1934 PolarHBondContact O-N 2.97Å; F1934-R1936 VanDerWaalsContact C-N 3.35Å
1935L26.1Very low26.5Very low123 Ų123123 Ų12364%0.64461%0.612SS**  trans-95.322.6175.7-59.6-177.3000113.4S1933 N1937 I1938S1933-L1935 VanDerWaalsContact C-N 3.25Å; L1935-N1937 PolarHBondContact O-N 3.06Å; L1935-I1938 HydrophobicContact CD2-CD1 3.7Å; L1935-I1938 HydrophobicContact CD2-CG1 4.12Å; L1935-I1938 PolarHBondContact O-N 3.49Å
1936R26.9Very low26.5Very low211 Ų211128.4 Ų128.480%0.79665%0.647SS**THydrogen-bonded Turntrans-57.4-15.3-177.4-158.5177.5-175.8-177.44.3114.1F1934F1934-R1936 VanDerWaalsContact C-N 3.35Å
1937N25.8Very low26.3Very low144 Ų144132.5 Ų132.577%0.7767%0.674SS**THydrogen-bonded Turntrans-120.711.4176-70.6-13.5000115L1935 F1939L1935-N1937 PolarHBondContact O-N 3.06Å; N1937-F1939 PolarHBondContact O-N 3.22Å
1938I23.9Very low26.2Very low114 Ų114136.2 Ų136.259%0.58570%0.702SS**  trans-93.886.5164.2-53.8-166.2000107.2L1935 M1940L1935-I1938 HydrophobicContact CD2-CD1 3.7Å; L1935-I1938 HydrophobicContact CD2-CG1 4.12Å; L1935-I1938 PolarHBondContact O-N 3.49Å; I1938-M1940 PolarHBondContact O-N 3.06Å
1939F21.9Very low25.9Very low177 Ų177143 Ų14378%0.77673%0.729SS**  trans-69.7108.9160.6-73.9-88.4000106.8N1937 E1941N1937-F1939 PolarHBondContact O-N 3.22Å; F1939-E1941 PolarHBondContact O-N 2.95Å
1940M23.2Very low25.6Very low164 Ų164154.6 Ų154.681%0.80877%0.769SS**  trans-68.493.6158.6-73.2-76.9-87.800105.5I1938 N1942I1938-M1940 PolarHBondContact O-N 3.06Å; M1940-N1942 VanDerWaalsContact C-N 3.33Å; M1940-N1942 PolarHBondContact O-N 2.85Å
1941E21.7Very low25.1Very low175 Ų175159.6 Ų159.682%0.81878%0.784SS**  trans-54.8102.7164.2-80.5-179.1147.500106.7F1939 E1943F1939-E1941 PolarHBondContact O-N 2.95Å; E1941-E1943 VanDerWaalsContact C-N 3.27Å; E1941-E1943 PolarHBondContact O-N 3.12Å
1942N25.6Very low24.7Very low154 Ų154157.1 Ų157.182%0.82479%0.786SS**  trans-61.1100.1161.2-83.4-19.3000105.6M1940 A1944M1940-N1942 VanDerWaalsContact C-N 3.33Å; M1940-N1942 PolarHBondContact O-N 2.85Å; N1942-A1944 PolarHBondContact O-N 3.22Å
1943E23.4Very low24.4Very low173 Ų173153.8 Ų153.881%0.80878%0.782SS**  trans-60.180.5170-72.4-168.6151.800109.2E1941E1941-E1943 VanDerWaalsContact C-N 3.27Å; E1941-E1943 PolarHBondContact O-N 3.12Å
1944A26.4Very low24.1Very low78 Ų78159 Ų15965%0.64579%0.793SS**  trans-109.896.8167.100000107.8N1942N1942-A1944 PolarHBondContact O-N 3.22Å
1945N28.1Very low24Very low148 Ų148156 Ų15679%0.79179%0.786SS**  trans80107.7159.7-59.5-30000117.9T1947N1945-T1947 PolarHBondContact O-N 3.13Å
1946P29.7Very low23.8Very low119 Ų119157.3 Ų157.377%0.77379%0.794SS**  trans-76.4110.5168.332.2-27.7000108.3
1947T25.7Very low23.7Very low129 Ų129153 Ų15379%0.79180%0.796SS**  trans155.195.3146.250.80000110.2N1945N1945-T1947 PolarHBondContact O-N 3.13Å
1948T25.7Very low23.6Very low152 Ų152155.3 Ų155.393%0.93380%0.799SS**  trans-178.2115.4139.4190000110.8
1949Q22.4Very low23.8Very low191 Ų191157.3 Ų157.389%0.89381%0.811SS**  trans-66.4136.2169.6-65.7171.1-16.200111.2
1950R22.6Very low24.1Very low255 Ų255155.7 Ų155.796%0.96282%0.816SS**  trans-172.4146.6137.5-106.3170.1-167.2-168.14.6113.4
1951K20.2Very low24.2Very low186 Ų186154 Ų15481%0.80982%0.815SS**  trans-82.5154.3-168.4-67.1171.6170.8175.80114.5
1952N20.8Very low24.4Very low145 Ų145153.7 Ų153.778%0.77582%0.819SS**  trans74.9139.8139.3-68.7-6.4000123
1953S21.5Very low24.4Very low103 Ų103151.7 Ų151.772%0.7282%0.817SS**  trans95.7107.1141.667.40000121.9
1954F19.4Very low24.5Very low195 Ų195148.1 Ų148.186%0.85581%0.807SS**  70.9138.1121.4-83.9-79.1000123.7
1955L22.7Very low24.4Very low139 Ų139152.2 Ų152.273%0.72881%0.813SS**  trans98.7107.3140-77.6152.1000120.7
1956N22.2Very low24.4Very low152 Ų152149.9 Ų149.981%0.81380%0.797SS**  42109.5126.1-70.3-7.8000120.2
1957S25.8Very low24.3Very low119 Ų119150.9 Ų150.983%0.83279%0.789SS**  trans-155.1118136.3570000110.4
1958K23.7Very low24.4Very low194 Ų194150.7 Ų150.784%0.84377%0.774SS**  trans-68.3156.6165.2-74174.8171.8179.50109.3
1959D26.7Very low24.5Very low155 Ų155146.6 Ų146.683%0.82975%0.746SS**  trans90.183.6171.3-49.4-23.9000116
1960T27.6Very low24.6Very low144 Ų144141.9 Ų141.988%0.88372%0.724SS**  trans-149.9132.9149.825.90000110.6
1961T26.4Very low24.7Very low129 Ų129133.9 Ų133.979%0.79170%0.697SS**  trans-67.7145.2-176.545.10000113.7S1963T1961-S1963 PolarHBondContact O-N 3.4Å; T1961-S1963 VanDerWaalsContact O-N 3.13Å
1962D25Very low25Very low168 Ų168127.6 Ų127.690%0.89868%0.675SS**  trans-49.2108.9175.1-66.5-42.7000112.4
1963S26.3Very low25.2Very low111 Ų111128 Ų12878%0.77667%0.665SS**  trans-102.9101.3172.246.20000109.8T1961 Q1965T1961-S1963 PolarHBondContact O-N 3.4Å; T1961-S1963 VanDerWaalsContact O-N 3.13Å; S1963-Q1965 PolarHBondContact O-N 3.38Å
1964T25.6Very low25.4Very low99 Ų99131.8 Ų131.861%0.60767%0.674SS**  trans-73.7112.4167.243.60000109.1E1966T1964-E1966 PolarHBondContact O-N 3.2Å
1965Q25Very low25.9Very low164 Ų164126.1 Ų126.177%0.76667%0.67SS**  trans-74.4111.3172.5-75.8180-1900110.1S1963 F1967S1963-Q1965 PolarHBondContact O-N 3.38Å; Q1965-F1967 HydrophobicContact CB-CE2 4.44Å
1966E27.1Very low26.2Very low98 Ų98125.9 Ų125.946%0.45868%0.677SS.*  trans-95.4138.8174.9-67.1176169.200110.8T1964T1964-E1966 PolarHBondContact O-N 3.2Å
1967F27.4Very low26.5Very low140 Ų140122.7 Ų122.761%0.61467%0.672SS**EExtended strand (participates in β ladder)trans-119.4142.3175.1-70.9-90.1000110.8Q1965Q1965-F1967 HydrophobicContact CB-CE2 4.44Å
1968R28Very low26.5Very low126 Ų126122.2 Ų122.248%0.47566%0.664SS.*EExtended strand (participates in β ladder)trans-122.2133.6-169-173-177.4-174.9-170.90.4112.4E1970R1968-E1970 IonicContact CZ-OE1 2.99Å
1969I27.7Very low26.8Very low66 Ų66120.1 Ų120.134%0.33865%0.652SS.*EExtended strand (participates in β ladder)trans-115.5134.1177.4-57.9171.5000109.2S1925 I1926S1925-I1969 WeakPolarHBondContact CA-O 3.25Å; I1926-I1969 PolarHBondContact N-O 3.43Å; I1926-I1969 PolarHBondContact O-N 3.23Å
1970E24.8Very low27Very low91 Ų91117.3 Ų117.343%0.42563%0.629SS.*  trans-109.4-24.7-168.2-73.4-172.5156.300118.6V1924 R1968V1924-E1970 CarbonylContact O-C 3.51Å; R1968-E1970 IonicContact CZ-OE1 2.99Å
1971H25.4Very low27.1Very low88 Ų88115.7 Ų115.741%0.40761%0.612SS.*  trans-147.9138.5-172.5-70.4-83.3000116.2
1972V26.8Very low27.5Very low54 Ų54111.5 Ų111.533%0.32759%0.586SS.*  trans-143.3141178.7-170.60000111.7F2019V1972-F2019 HydrophobicContact CB-CE1 4.35Å; V1972-F2019 HydrophobicContact CG1-CE1 3.94Å; V1972-F2019 HydrophobicContact CG1-CZ 4.42Å; V1972-F2019 HydrophobicContact CG2-CD1 4.03Å; V1972-F2019 HydrophobicContact CG2-CE1 3.63Å
1973W24.1Very low27.9Very low152 Ų152108.9 Ų108.958%0.57657%0.568SS**  trans-123.6150.6-172.3-58.674.2000113.6P1921 I2017P1921-W1973 HydrophobicContact CB-CE3 4.41Å; P1921-W1973 HydrophobicContact CB-CZ3 4.41Å; P1921-W1973 HydrophobicContact CG-CE3 4.16Å; P1921-W1973 HydrophobicContact CG-CH2 3.93Å; P1921-W1973 HydrophobicContact CG-CZ3 3.67Å; W1973-I2017 WeakPolarHBondContact O-CD1 3.01Å; W1973-I2017 WeakPolarHBondContact O-CG1 3.31Å
1974M25.7Very low28.5Very low184 Ų184109.9 Ų109.991%0.90656%0.56SS**  trans-142145.8179.1-68.8-177.55500114.7
1975G29.3Very low28.8Very low76 Ų76111.8 Ų111.878%0.78457%0.565SS**  trans-122.9-175.3-167.900000119.2
1976P30.2Very low29.4Very low133 Ų133108.8 Ų108.886%0.86456%0.562SS**  trans-111.5167.3-148.340.3-33.2000119.6
1977A27.1Very low30.1Very low86 Ų86111.6 Ų111.671%0.71158%0.581SS**  trans-90.2157.5-173.700000116.8
1978V27.5Very low30.5Very low109 Ų109111.9 Ų111.966%0.66159%0.589SS**  trans-119141.9-168.1-178.80000113.2
1979Y29.3Very low30.8Very low149 Ų149113.3 Ų113.358%0.58461%0.606SS**  trans-126.3161.3-175.2-63.7-93.6000113.8L1997Y1979-L1997 HydrophobicContact CG-CD2 4.26Å
1980R30.3Very low31.2Very low96 Ų96120.9 Ų120.936%0.36263%0.632SS.*EExtended strand (participates in β ladder)trans-100.3140.9-179.5-166-160-179176.3-9.7113.4L1998 L2001 Y2007R1980-L1998 PolarHBondContact O-N 2.97Å; R1980-L2001 HydrophobicContact CB-CD1 4.41Å; R1980-L2001 HydrophobicContact CB-CD2 3.74Å; R1980-L2001 HydrophobicContact CB-CG 4.07Å; R1980-L2001 HydrophobicContact CG-CD2 3.81Å; R1980-Y2007 VanDerWaalsContact NH1-CZ 3.32Å; R1980-Y2007 PolarHBondContact NH1-OH 3.14Å; R1980-Y2007 PolarHBondContact NH2-OH 3.17Å
1981H30.7Very low31.7Very low111 Ų111125.5 Ų125.551%0.51465%0.653SS.*EExtended strand (participates in β ladder)trans-114.5125.9-178.4-173.5-101.8000111.4S1995H1981-S1995 WeakPolarHBondContact NE2-CB 3.23Å
1982V34.8Very low32Very low41 Ų41125.9 Ų125.925%0.24867%0.666CS.*EExtended strand (participates in β ladder)trans-125.7130.4179.3-178.50000110.5S1995 T1996V1982-S1995 CarbonylContact O-C 3.58Å; V1982-S1995 WeakPolarHBondContact O-CA 3.4Å; V1982-T1996 PolarHBondContact N-O 3.41Å; V1982-T1996 PolarHBondContact O-N 3.32Å
1983Q33.3Very low32Very low113 Ų113127.4 Ų127.453%0.52868%0.675SS.*EExtended strand (participates in β ladder)trans-107.6125.5175.4-84.4175.7-26.400110.5
1984H37.6Very low32.4Very low131 Ų131127.1 Ų127.161%0.60668%0.68SS**EExtended strand (participates in β ladder)trans-92.3126.2172.3-79.5-91.5000110.3Q1994H1984-Q1994 PolarHBondContact N-O 2.75Å; H1984-Q1994 VanDerWaalsContact N-O 3.13Å
1985I31.7Very low32.6Very low139 Ų139121.4 Ų121.471%0.71366%0.659SS**  trans-108.6104.8173.6-54.9169.9000106.8
1986S37.9Very low32.7Very low101 Ų101121 Ų12171%0.70664%0.641SS**  trans-93.6133.3171.148.30000109.7D1988S1986-D1988 PolarHBondContact O-N 3.12Å; S1986-D1988 VanDerWaalsContact O-N 3.08Å
1987N42.2Very low32.5Very low158 Ų158120.4 Ų120.485%0.84563%0.63SS**SBendtrans-75.614.7-166.7-90.3-8.6000116.8
1988D35.6Very low32.6Very low146 Ų146121.5 Ų121.578%0.78162%0.623SS**SBendtrans-117.2106.9178-66.2-33.9000109.7S1986S1986-D1988 PolarHBondContact O-N 3.12Å; S1986-D1988 VanDerWaalsContact O-N 3.08Å
1989D33.7Very low32.7Very low156 Ų156118.6 Ų118.683%0.83462%0.615SS**SBendtrans54.7125.7167.7-63.3-30.7000119.5
1990Y37.1Very low32.6Very low225 Ų225115.5 Ų115.588%0.88261%0.613SS**SBendtrans-42.8143.6-178-70-99.6000114.5
1991E34.6Very low32.5Very low188 Ų188115 Ų11588%0.87962%0.617SS**SBendtrans94.157.4172.8-52.4-174.9170.500117.8
1992S32.7Very low32.4Very low96 Ų96115.3 Ų115.367%0.67162%0.622SS**  trans176.994.7132420000111.7Q1994S1992-Q1994 PolarHBondContact O-N 3.22Å; S1992-Q1994 VanDerWaalsContact O-N 3.08Å
1993T27.3Very low32Very low85 Ų85122.7 Ų122.752%0.52165%0.653SS.*  trans-67.6100.8161.746.80000108.8S1995T1993-S1995 PolarHBondContact O-N 3.3Å
1994Q32.5Very low31.7Very low147 Ų147121 Ų12169%0.68767%0.666SS**EExtended strand (participates in β ladder)trans-75.3121170.7-74.6-175.7-3.800109.8H1984 S1992H1984-Q1994 PolarHBondContact N-O 2.75Å; H1984-Q1994 VanDerWaalsContact N-O 3.13Å; S1992-Q1994 PolarHBondContact O-N 3.22Å; S1992-Q1994 VanDerWaalsContact O-N 3.08Å
1995S28.5Very low31.1Very low64 Ų64121.8 Ų121.845%0.44867%0.672SS.*EExtended strand (participates in β ladder)trans-102126.1174.453.60000110.6H1981 V1982 T1993H1981-S1995 WeakPolarHBondContact NE2-CB 3.23Å; V1982-S1995 CarbonylContact O-C 3.58Å; V1982-S1995 WeakPolarHBondContact O-CA 3.4Å; T1993-S1995 PolarHBondContact O-N 3.3Å
1996T32.1Very low30.8Very low66 Ų66122.6 Ų122.641%0.40568%0.678SS.*EExtended strand (participates in β ladder)trans-114.1137.1174.546.60000111.1V1982V1982-T1996 PolarHBondContact N-O 3.41Å; V1982-T1996 PolarHBondContact O-N 3.32Å
1997L25.8Very low30.4Very low122 Ų122122.3 Ų122.364%0.63966%0.662SS**EExtended strand (participates in β ladder)trans-96.8111.8176.3-115.1144.9000107.5Y1979Y1979-L1997 HydrophobicContact CG-CD2 4.26Å
1998L28.3Very low29.5Very low109 Ų109121.3 Ų121.357%0.57166%0.661SS**EExtended strand (participates in β ladder)trans-108.3150.8-179.2-74.2166.9000110.3R1980R1980-L1998 PolarHBondContact O-N 2.97Å
1999G30.6Very low28.9Very low48 Ų48122.7 Ų122.750%0.49566%0.661SS.*  trans-56.2177.9-169.700000116.7L2001G1999-L2001 PolarHBondContact O-N 3.18Å
2000P27.8Very low28.3Very low84 Ų84122.3 Ų122.355%0.54566%0.664SS.*SBendtrans-54.7133.4-169.922.3-32.6000112.4I2002P2000-I2002 PolarHBondContact O-N 3.35Å
2001L27.6Very low27.8Very low84 Ų84115 Ų11544%0.4466%0.657SS.*PPolyproline II helixtrans-61.3120.7-166.2-75.5157000113.4R1980 G1999 Y2007R1980-L2001 HydrophobicContact CB-CD1 4.41Å; R1980-L2001 HydrophobicContact CB-CD2 3.74Å; R1980-L2001 HydrophobicContact CB-CG 4.07Å; R1980-L2001 HydrophobicContact CG-CD2 3.81Å; G1999-L2001 PolarHBondContact O-N 3.18Å; L2001-Y2007 HydrophobicContact CD2-CD2 4.24Å; L2001-Y2007 HydrophobicContact CD2-CE2 3.77Å
2002I27.6Very low27.3Very low119 Ų119116.3 Ų116.361%0.6166%0.66SS**PPolyproline II helixtrans-100.1144.8171.1-51.3175.1000109.3L1283 P2000L1283-I2002 HydrophobicContact CD2-CD1 3.41Å; L1283-I2002 VanDerWaalsContact CD2-CD1 3.41Å; L1283-I2002 HydrophobicContact CD2-CG1 3.66Å; P2000-I2002 PolarHBondContact O-N 3.35Å
2003E27.6Very low26.9Very low195 Ų195115.6 Ų115.691%0.91166%0.66SS**SBendtrans-52.6148.3-168.2-65.5171.1144.200117.2
2004G27.7Very low26.8Very low77 Ų77117.3 Ų117.379%0.79468%0.675SS**SBendtrans121.69.5157.600000119.5
2005M25.1Very low26.4Very low149 Ų149114.3 Ų114.373%0.73468%0.684SS**SBendtrans-143139.7174.8-81.7-75.2-162.100111.4Y2007M2005-Y2007 HydrophobicContact CB-CE1 4.46Å; M2005-Y2007 WeakPolarHBondContact CB-OH 3.17Å; M2005-Y2007 WeakPolarHBondContact O-CD2 3.46Å; M2005-Y2007 WeakPolarHBondContact O-CE2 3.07Å
2006D24.4Very low26.2Very low156 Ų156116.8 Ų116.883%0.83470%0.701SS**  trans-68.8127-175.3-66.1-39.5000113
2007Y29.1Very low25.8Very low94 Ų94117.6 Ų117.637%0.36970%0.702SS.*  trans-124.1128.4174-57.4-56.4000112.4R1980 L2001 M2005R1980-Y2007 VanDerWaalsContact NH1-CZ 3.32Å; R1980-Y2007 PolarHBondContact NH1-OH 3.14Å; R1980-Y2007 PolarHBondContact NH2-OH 3.17Å; L2001-Y2007 HydrophobicContact CD2-CD2 4.24Å; L2001-Y2007 HydrophobicContact CD2-CE2 3.77Å; M2005-Y2007 HydrophobicContact CB-CE1 4.46Å; M2005-Y2007 WeakPolarHBondContact CB-OH 3.17Å; M2005-Y2007 WeakPolarHBondContact O-CD2 3.46Å; M2005-Y2007 WeakPolarHBondContact O-CE2 3.07Å
2008T23.8Very low25.7Very low137 Ų137113.3 Ų113.384%0.8469%0.687SS**  trans-89.3110.8169.345.40000110.5
2009F22.9Very low25.6Very low176 Ų176112.7 Ų112.777%0.77268%0.68SS**  trans-72.6128.7178.5-85.3-96.8000112.5
2010V22.2Very low25.4Very low148 Ų148113.9 Ų113.990%0.89768%0.681SS**  trans-123104.9169.6-174.80000108.6
2011G26.3Very low25.3Very low72 Ų72116.3 Ų116.374%0.74269%0.688SS**  trans131.7133.6169.100000116.4
2012K24.2Very low25.2Very low215 Ų215116.3 Ų116.394%0.93569%0.693SS**  trans-92.7119.3-173.2-65.6174.6177177.70111.8
2013A23.8Very low25.2Very low80 Ų80119.8 Ų119.866%0.66171%0.707SS**  trans-109.9108.9170.100000110.5
2014S24Very low25.1Very low121 Ų121116.6 Ų116.685%0.84670%0.704SS**  trans-112.6123.3-176.951.30000110.6
2015G24.3Very low25Very low84 Ų84117.7 Ų117.787%0.86670%0.7SS**  trans-149.4127.9172.400000110.5
2016S24.1Very low25Very low116 Ų116116.1 Ų116.181%0.81170%0.7SS**  trans-110.5146.6-167.845.70000112.4
2017I24.1Very low25Very low83 Ų83114.7 Ų114.743%0.42670%0.703SS.*  trans-107.9136.9172.5-68.8179.2000108.5W1973 F2019W1973-I2017 WeakPolarHBondContact O-CD1 3.01Å; W1973-I2017 WeakPolarHBondContact O-CG1 3.31Å; I2017-F2019 HydrophobicContact CG2-CE2 4.01Å; I2017-F2019 HydrophobicContact CG2-CZ 4.01Å
2018G24.2Very low24.9Very low32 Ų32115.4 Ų115.433%0.3372%0.721SS.*  trans-141.5152.5178.200000112.6
2019F26.3Very low24.9Very low97 Ų97113.6 Ų113.643%0.42572%0.715SS.*  trans-126.7148.7-176-58.3-83.5000110.7V1972 I2017V1972-F2019 HydrophobicContact CB-CE1 4.35Å; V1972-F2019 HydrophobicContact CG1-CE1 3.94Å; V1972-F2019 HydrophobicContact CG1-CZ 4.42Å; V1972-F2019 HydrophobicContact CG2-CD1 4.03Å; V1972-F2019 HydrophobicContact CG2-CE1 3.63Å; I2017-F2019 HydrophobicContact CG2-CE2 4.01Å; I2017-F2019 HydrophobicContact CG2-CZ 4.01Å
2020S26Very low25.1Very low73 Ų73113 Ų11351%0.5172%0.718SS.*  trans-126.9130.2177.356.80000111.8
2021I26Very low25.4Very low135 Ų135111.6 Ų111.669%0.69272%0.715SS**  trans-111.9127-178.8-58.1167.1000108.8
2022P26.2Very low25.5Very low83 Ų83114.8 Ų114.854%0.53972%0.721SS.*  trans-80.8120.9178.529.2-29.3000111.4C2024P2022-C2024 PolarHBondContact O-N 3.4Å
2023Q26.1Very low25.7Very low193 Ų193110.1 Ų110.190%0.90272%0.715SS**  trans-68.3114.9165.3-80.5-178.4-22.200109.2S2025Q2023-S2025 PolarHBondContact O-N 3.24Å
2024C25.7Very low25.8Very low128 Ų128111.8 Ų111.887%0.86572%0.722SS**  trans-77.189172.8-153.40000108.9P2022P2022-C2024 PolarHBondContact O-N 3.4Å
2025S25.4Very low26Very low100 Ų100115 Ų11570%0.69972%0.723SS**  trans-66.7132.3172.153.40000110.3Q2023 S2027Q2023-S2025 PolarHBondContact O-N 3.24Å; S2025-S2027 PolarHBondContact O-N 3.17Å
2026P26.4Very low26Very low115 Ų115120.9 Ų120.975%0.74773%0.725SS**  trans-66.8135.2-17928.9-33.4000109.9S2028P2026-S2028 PolarHBondContact O-N 2.69Å
2027S23.8Very low26Very low127 Ų127120.7 Ų120.789%0.88872%0.724SS**  trans-37.3105.9175.952.60000113.1S2025S2025-S2027 PolarHBondContact O-N 3.17Å
2028S26.7Very low26Very low108 Ų108125.5 Ų125.576%0.75575%0.745SS**  trans-142.5106.7154.552.70000109.4P2026P2026-S2028 PolarHBondContact O-N 2.69Å
2029S25.4Very low26Very low100 Ų100129.6 Ų129.670%0.69976%0.763SS**  trans-33.2139.6164.351.50000115.8
2030L26.8Very low25.9Very low162 Ų162130.5 Ų130.585%0.84878%0.781SS**  trans64.1107.8154.9-76.687.9000117.6
2031S28.4Very low25.7Very low119 Ų119132.7 Ų132.783%0.83279%0.786SS**  169.6139.9101.449.80000112
2032T28.2Very low25.6Very low139 Ų139131.2 Ų131.285%0.85379%0.788SS**  trans-59.3122.9179.546.40000113.4
2033S27.9Very low25.4Very low117 Ų117130.4 Ų130.482%0.81878%0.784SS**  trans-172.4138.8136.550.60000111.5Q2035S2033-Q2035 PolarHBondContact O-N 3.41Å
2034S27.1Very low25.3Very low115 Ų115125.9 Ų125.980%0.80477%0.765SS**  trans-55.6116.4177.3510000113.3
2035Q26.3Very low25.2Very low188 Ų188125.4 Ų125.488%0.87975%0.753SS**  trans-157125.2144.2-110.5168.610.800108.9S2033 S2037S2033-Q2035 PolarHBondContact O-N 3.41Å; Q2035-S2037 PolarHBondContact O-N 3.06Å
2036K25.7Very low25.1Very low209 Ų209127.5 Ų127.591%0.90975%0.749SS**  trans-60.6101.6177-67.5170.1174.1178.40108.6
2037S24Very low25Very low111 Ų111129.3 Ų129.378%0.77675%0.752SS**  trans-84.2111.5161.144.80000107.9Q2035 T2039Q2035-S2037 PolarHBondContact O-N 3.06Å; S2037-T2039 PolarHBondContact O-N 3.44Å
2038E24.6Very low25.1Very low185 Ų185133.3 Ų133.386%0.86475%0.748SS**  trans-51.3113.9171.4-66.7168.2155.200109.2S2040E2038-S2040 PolarHBondContact O-N 2.74Å
2039T24Very low25.1Very low118 Ų118134.7 Ų134.772%0.72475%0.754SS**  trans-64101165.437.70000107.4S2037 I2041S2037-T2039 PolarHBondContact O-N 3.44Å; T2039-I2041 PolarHBondContact O-N 2.59Å
2040S23Very low25.1Very low115 Ų115133 Ų13380%0.80475%0.752SS**  trans-65.285.4164.2550000108.1E2038 S2042E2038-S2040 PolarHBondContact O-N 2.74Å; S2040-S2042 PolarHBondContact O-N 2.89Å
2041I23Very low25Very low120 Ų120135 Ų13562%0.61575%0.754SS**  trans-63.3101170.7-63.3157.7000106.5T2039 S2043T2039-I2041 PolarHBondContact O-N 2.59Å; I2041-S2043 PolarHBondContact O-N 3.49Å
2042S22.9Very low24.8Very low103 Ų103138.3 Ų138.372%0.7275%0.754SS**  trans-69.380.3165.345.90000108.5S2040 I2044S2040-S2042 PolarHBondContact O-N 2.89Å; S2042-I2044 PolarHBondContact O-N 2.9Å
2043S22.2Very low24.6Very low67 Ų67142.4 Ų142.447%0.46975%0.754SS.*  trans-72.6108.5173.448.80000109.3I2041 I2045I2041-S2043 PolarHBondContact O-N 3.49Å; S2043-I2045 PolarHBondContact O-N 3.46Å
2044I23.4Very low24.6Very low98 Ų98142.4 Ų142.450%0.50375%0.749SS.*  trans-80.8104165.1-62.5175.7000106.9S2042 F2046S2042-I2044 PolarHBondContact O-N 2.9Å; I2044-F2046 HydrophobicContact CB-CE2 4.34Å; I2044-F2046 HydrophobicContact CG2-CD2 4.08Å; I2044-F2046 HydrophobicContact CG2-CE1 4.36Å; I2044-F2046 HydrophobicContact CG2-CE2 3.47Å; I2044-F2046 VanDerWaalsContact CG2-CE2 3.47Å; I2044-F2046 HydrophobicContact CG2-CZ 3.64Å; I2044-F2046 PolarHBondContact O-N 2.72Å
2045I23.7Very low24.5Very low117 Ų117142 Ų14260%0.674%0.744SS**  trans-83.2103.2-175.9-62.9165.7000108.5S2043 L2047S2043-I2045 PolarHBondContact O-N 3.46Å; I2045-L2047 HydrophobicContact CG2-CD1 3.72Å; I2045-L2047 HydrophobicContact CG2-CD2 4.46Å; I2045-L2047 HydrophobicContact CG2-CG 3.67Å; I2045-L2047 PolarHBondContact O-N 3.34Å
2046F24.2Very low24.5Very low144 Ų144135.6 Ų135.663%0.63273%0.729SS**  trans-87.696.7168.5-68-78.5000109.7I2044I2044-F2046 HydrophobicContact CB-CE2 4.34Å; I2044-F2046 HydrophobicContact CG2-CD2 4.08Å; I2044-F2046 HydrophobicContact CG2-CE1 4.36Å; I2044-F2046 HydrophobicContact CG2-CE2 3.47Å; I2044-F2046 VanDerWaalsContact CG2-CE2 3.47Å; I2044-F2046 HydrophobicContact CG2-CZ 3.64Å; I2044-F2046 PolarHBondContact O-N 2.72Å
2047L24.7Very low24.5Very low153 Ų153132.1 Ų132.180%0.80172%0.72SS**  trans-81.3126.5173.4-76.4147.2000110.1I2045I2045-L2047 HydrophobicContact CG2-CD1 3.72Å; I2045-L2047 HydrophobicContact CG2-CD2 4.46Å; I2045-L2047 HydrophobicContact CG2-CG 3.67Å; I2045-L2047 PolarHBondContact O-N 3.34Å
2048R25.8Very low24.6Very low212 Ų212133 Ų13380%0.872%0.715SS**  trans19.8139.1165.5-98.6-174.3172.2-178.5-3.2121G2050R2048-G2050 PolarHBondContact O-N 3.24Å; R2048-G2050 VanDerWaalsContact O-N 3.1Å
2049P26.7Very low24.8Very low137 Ų137127.4 Ų127.489%0.8971%0.707SS**SBendtrans-76.3103.9-179.533-31.2000111.1
2050G25.1Very low24.9Very low63 Ų63127.3 Ų127.365%0.64970%0.701SS**SBendtrans-178.879174.600000109.1R2048R2048-G2050 PolarHBondContact O-N 3.24Å; R2048-G2050 VanDerWaalsContact O-N 3.1Å
2051K25.4Very low25Very low204 Ų204126.2 Ų126.289%0.88769%0.686SS**SBendtrans33.681.5173.5-66-173.1177.1-176.90117.5
2052F22.9Very low25.2Very low190 Ų190124.6 Ų124.683%0.83368%0.683SS**  trans-151.736.6154.1-99.3-75.3000112.4V2054F2052-V2054 VanDerWaalsContact C-N 3.27Å; F2052-V2054 PolarHBondContact O-N 3.49Å; F2052-V2054 VanDerWaalsContact O-N 3.14Å
2053W24.2Very low25.6Very low225 Ų225129.7 Ų129.785%0.85270%0.695SS**THydrogen-bonded Turntrans-769.1-171.6-122.764.4000116.3
2054V27.2Very low25.8Very low117 Ų117130.1 Ų130.171%0.70970%0.699SS**THydrogen-bonded Turntrans-103.7-13.5-175.4-179.40000114.4F2052F2052-V2054 VanDerWaalsContact C-N 3.27Å; F2052-V2054 PolarHBondContact O-N 3.49Å; F2052-V2054 VanDerWaalsContact O-N 3.14Å
2055C25.7Very low25.8Very low105 Ų105127.9 Ų127.971%0.70969%0.692SS**SBendtrans-89.6-5.9-177.2-65.10000115.7
2056G26.7Very low25.9Very low55 Ų55129.1 Ų129.157%0.56770%0.698SS**SBendtrans-85-27.7-177.100000115.5
2057L25.7Very low25.9Very low135 Ų135129 Ų12971%0.70770%0.703SS**SBendtrans-97-17.4-168.9-130144.8000113.8G2059 I2060L2057-G2059 VanDerWaalsContact C-N 3.3Å; L2057-I2060 HydrophobicContact CG-CD1 4.41Å
2058L25.5Very low25.9Very low129 Ų129128.2 Ų128.268%0.67571%0.705SS**G310 helixtrans-79.5-9.5172.2-89.6156.1000113.6I2060L2058-I2060 VanDerWaalsContact C-N 3.28Å; L2058-I2060 PolarHBondContact O-N 2.86Å
2059G28.4Very low25.8Very low68 Ų68125.8 Ų125.870%0.70171%0.706SS**G310 helixtrans-81.6-0.317200000114.8L2057L2057-G2059 VanDerWaalsContact C-N 3.3Å
2060I26.7Very low25.8Very low116 Ų116125 Ų12560%0.59570%0.699SS**G310 helixtrans-98.7-11.6-177-58.3175.1000112L2057 L2058 P2062L2057-I2060 HydrophobicContact CG-CD1 4.41Å; L2058-I2060 VanDerWaalsContact C-N 3.28Å; L2058-I2060 PolarHBondContact O-N 2.86Å; I2060-P2062 WeakPolarHBondContact O-CD 3.12Å
2061L25Very low26Very low93 Ų93130.5 Ų130.549%0.48771%0.705SS.*SBendtrans-82.9114.2165.6-84.3159.2000107.7E2063 S2065L2061-E2063 PolarHBondContact O-N 2.88Å; L2061-S2065 WeakPolarHBondContact CB-OG 2.95Å; L2061-S2065 VanDerWaalsContact CD2-OG 3.26Å; L2061-S2065 WeakPolarHBondContact CD2-OG 3.21Å
2062P27.1Very low26.2Very low85 Ų85128.1 Ų128.155%0.55270%0.702SS**  trans-56.8141.117222.8-29.9000108.9I2060 S2064 S2065I2060-P2062 WeakPolarHBondContact O-CD 3.12Å; P2062-S2064 PolarHBondContact O-N 2.85Å; P2062-S2065 PolarHBondContact O-N 3.44Å; P2062-S2065 PolarHBondContact O-OG 3.48Å
2063E30.4Very low26.5Very low210 Ų210122.9 Ų122.998%0.98170%0.701SS**THydrogen-bonded Turntrans-53.1-11-172.6-71-177.1154.700115L2061L2061-E2063 PolarHBondContact O-N 2.88Å
2064S27.3Very low26.6Very low77 Ų77120.7 Ų120.754%0.53870%0.7SS.*THydrogen-bonded Turntrans-90.1-2.3177.455.30000115.5P2062 I2066P2062-S2064 PolarHBondContact O-N 2.85Å; S2064-I2066 VanDerWaalsContact C-N 3.29Å; S2064-I2066 PolarHBondContact O-N 2.88Å
2065S24.3Very low26.6Very low51 Ų51123.1 Ų123.136%0.35771%0.708SS.*  trans-79.177.5174.5450000111.3L2061 P2062 L2067L2061-S2065 WeakPolarHBondContact CB-OG 2.95Å; L2061-S2065 VanDerWaalsContact CD2-OG 3.26Å; L2061-S2065 WeakPolarHBondContact CD2-OG 3.21Å; P2062-S2065 PolarHBondContact O-N 3.44Å; P2062-S2065 PolarHBondContact O-OG 3.48Å; S2065-L2067 PolarHBondContact O-N 3.17Å
2066I25.1Very low26.5Very low143 Ų143123.7 Ų123.773%0.73371%0.71SS**  trans-62.999.4170.9-60.1170.5000108.1S2064 T2068S2064-I2066 VanDerWaalsContact C-N 3.29Å; S2064-I2066 PolarHBondContact O-N 2.88Å; I2066-T2068 PolarHBondContact O-N 2.89Å
2067L23.6Very low26.5Very low140 Ų140127.1 Ų127.173%0.73372%0.72SS**  trans-57108.9166.2-74.9161.9000107.8S2065 I2069S2065-L2067 PolarHBondContact O-N 3.17Å; L2067-I2069 PolarHBondContact O-N 3.11Å; L2067-I2069 VanDerWaalsContact O-N 3.12Å
2068T24.2Very low26.5Very low138 Ų138125.8 Ų125.885%0.84772%0.719SS**  trans-69.2110.8-177.328.30000109.7I2066I2066-T2068 PolarHBondContact O-N 2.89Å
2069I25.5Very low26.4Very low161 Ų161128.5 Ų128.583%0.82673%0.726SS**  trans-64.7136.6-172.2-67.1159.3000111.8L2067L2067-I2069 PolarHBondContact O-N 3.11Å; L2067-I2069 VanDerWaalsContact O-N 3.12Å
2070T24.8Very low26.4Very low119 Ų119133 Ų13373%0.7373%0.728SS**  trans-82.4132.7164.138.40000111.5
2071K30.2Very low26.3Very low180 Ų180134.6 Ų134.678%0.78374%0.737SS**SBendtrans63.2125.5149.2-61.5-175.1176.5-175.60120.1
2072D28.9Very low26.3Very low153 Ų153135.1 Ų135.182%0.81875%0.747SS**  trans73.166153.7-52.9-22.9000119.6H2074D2072-H2074 PolarHBondContact O-N 3.15Å
2073G30.8Very low26.4Very low80 Ų80135.4 Ų135.483%0.82575%0.751SS**SBend75.62115.200000121.7
2074H26.4Very low26.4Very low179 Ų179129.8 Ų129.883%0.82974%0.74SS**  trans-141.5129.4168.4-97-85.3000111.7D2072 P2076D2072-H2074 PolarHBondContact O-N 3.15Å; H2074-P2076 VanDerWaalsContact O-CD 3.27Å; H2074-P2076 WeakPolarHBondContact O-CD 3.41Å
2075I25.7Very low26.6Very low169 Ų169134.3 Ų134.387%0.86775%0.752SS**  trans-77.2112.4-173.6-58.8158.3000109.8
2076P25Very low26.8Very low116 Ų116136.7 Ų136.775%0.75377%0.769SS**PPolyproline II helixtrans-96133.9166.714.66.7000110H2074H2074-P2076 VanDerWaalsContact O-CD 3.27Å; H2074-P2076 WeakPolarHBondContact O-CD 3.41Å
2077T26.3Very low26.9Very low128 Ų128135.8 Ų135.879%0.78577%0.77SS**PPolyproline II helixtrans-50.9151.2174.740.10000114.6
2078P25.8Very low27.1Very low107 Ų107137.3 Ų137.370%0.69577%0.773SS**PPolyproline II helixtrans-63.4131.4-172.226.3-34.7000112.9H2080P2078-H2080 PolarHBondContact O-N 3.35Å
2079F23.6Very low27.3Very low185 Ų185136.6 Ų136.681%0.81177%0.769SS**  trans-78.5108174.3-171.2-95.3000109.9
2080H27.8Very low27.2Very low162 Ų162133.2 Ų133.275%0.7575%0.752SS**PPolyproline II helixtrans-83.3124.8170.7-80.8-79.4000109.9P2078P2078-H2080 PolarHBondContact O-N 3.35Å
2081L24.4Very low27.2Very low150 Ų150137.7 Ų137.779%0.78576%0.755SS**PPolyproline II helixtrans-58.9133.5171.6-111.698.7000110.6
2082P25.5Very low27Very low105 Ų105136.9 Ų136.968%0.68275%0.752SS**PPolyproline II helixtrans-70.1138.2175.526.5-30.6000111.4
2083S29.5Very low27Very low91 Ų91132.8 Ų132.864%0.63674%0.735SS**PPolyproline II helixtrans-65.4133.9-174.359.60000112.9H2085S2083-H2085 PolarHBondContact O-N 2.9Å
2084A30.1Very low27Very low92 Ų92134.8 Ų134.876%0.7673%0.733SS**THydrogen-bonded Turntrans-61.914.2-173.500000117.6
2085H31.1Very low27.1Very low172 Ų172133.7 Ų133.780%0.79673%0.734SS**THydrogen-bonded Turntrans-94.50.4-178.3-69.96.9000114.2S2083S2083-H2085 PolarHBondContact O-N 2.9Å
2086S28.8Very low27.3Very low100 Ų100127.4 Ų127.470%0.69971%0.71SS**SBendtrans-105.415.1-177.148.30000115.5
2087V26.6Very low27.4Very low125 Ų125127.6 Ų127.676%0.75870%0.704SS**  trans-112.878.2176.1-172.70000110
2088E28.9Very low27.3Very low171 Ų171129.5 Ų129.580%0.79970%0.698SS**  trans-101.6104.7178.3-73.6-170.3156.200111.4
2089T26.9Very low27.2Very low123 Ų123129.9 Ų129.976%0.75569%0.693SS**  trans83.5109.5161.864.20000120.1
2090I24.7Very low27.2Very low91 Ų91128.3 Ų128.347%0.46769%0.688SS.*PPolyproline II helixtrans-91.1120.7160.3-61.1167.4000107.1F2092I2090-F2092 HydrophobicContact CB-CE2 4.46Å; I2090-F2092 HydrophobicContact CG2-CE1 4.17Å; I2090-F2092 HydrophobicContact CG2-CE2 3.94Å; I2090-F2092 HydrophobicContact CG2-CZ 3.74Å
2091R25.1Very low27.1Very low212 Ų212126.1 Ų126.180%0.869%0.685SS**EExtended strand (participates in β ladder)trans-103.8131.5172.9-75.3-171.9179.8-179.21.3110.6
2092F26.3Very low27.1Very low164 Ų164125.9 Ų125.972%0.71968%0.684SS**EExtended strand (participates in β ladder)trans-97.3125.7-178.8-60.3-89.4000109.3I2090I2090-F2092 HydrophobicContact CB-CE2 4.46Å; I2090-F2092 HydrophobicContact CG2-CE1 4.17Å; I2090-F2092 HydrophobicContact CG2-CE2 3.94Å; I2090-F2092 HydrophobicContact CG2-CZ 3.74Å
2093S28.1Very low27Very low66 Ų66128.4 Ų128.446%0.46269%0.692SS.*EExtended strand (participates in β ladder)trans-131.5154.8169.383.20000110.1N2095 G2096S2093-N2095 PolarHBondContact O-N 2.74Å; S2093-G2096 PolarHBondContact O-N 2.76Å
2094P30Very low26.8Very low122 Ų122128.8 Ų128.879%0.79270%0.695SS**THydrogen-bonded Turntrans-66.4-13.2-167-19.331.8000115.4
2095N29.5Very low26.5Very low157 Ų157132.7 Ų132.784%0.8470%0.697SS**THydrogen-bonded Turntrans-102.415.9-178.1-69.8-4.1000114S2093S2093-N2095 PolarHBondContact O-N 2.74Å
2096G30.2Very low26.3Very low36 Ų36136 Ų13637%0.37172%0.718SS.*EExtended strand (participates in β ladder)trans130.5160.3173.800000114.1S2093S2093-G2096 PolarHBondContact O-N 2.76Å
2097I26.1Very low26.2Very low120 Ų120137.9 Ų137.962%0.61572%0.719SS**EExtended strand (participates in β ladder)trans-88.9110.1-176.8-55.5172000108.4I2099I2097-I2099 HydrophobicContact CG2-CD1 4.37Å; I2097-I2099 HydrophobicContact CG2-CG1 3.87Å
2098Y23.9Very low26.1Very low169 Ų169138.5 Ų138.566%0.66372%0.717SS**EExtended strand (participates in β ladder)trans-96.1111168-71.6-84000109.3
2099I25.1Very low26Very low115 Ų115136.7 Ų136.759%0.5971%0.713SS**  trans-98.1102.6169.4-53.6178.2000106.6I2097 V2101I2097-I2099 HydrophobicContact CG2-CD1 4.37Å; I2097-I2099 HydrophobicContact CG2-CG1 3.87Å; I2099-V2101 HydrophobicContact CG2-CG2 3.98Å; I2099-V2101 PolarHBondContact O-N 3.16Å
2100H23.2Very low25.9Very low151 Ų151137.5 Ų137.570%0.69971%0.71SS**  trans-82.999169.4-82-84000108.9
2101V25.3Very low26Very low116 Ų116140.4 Ų140.470%0.70373%0.725SS**  trans-88.8100.8158.9-176.60000105.7I2099I2099-V2101 HydrophobicContact CG2-CG2 3.98Å; I2099-V2101 PolarHBondContact O-N 3.16Å
2102L23.6Very low26.1Very low145 Ų145135.7 Ų135.776%0.75972%0.72SS**  trans-89.3102.8170.7-78.1166.7000107.8S2104L2102-S2104 PolarHBondContact O-N 3.14Å
2103D24.6Very low26Very low158 Ų158133.6 Ų133.685%0.84572%0.72SS**  trans-56.7108.5163.7-83.9-29.1000108.5
2104S24.9Very low25.9Very low100 Ų100138.8 Ų138.870%0.69974%0.74SS**  trans-107.499.417046.90000108.8L2102L2102-S2104 PolarHBondContact O-N 3.14Å
2105H24.5Very low25.5Very low173 Ų173140.3 Ų140.380%0.80174%0.736SS**  trans96.394.2163.6-57.4-72.6000118.9
2106I25.6Very low25.2Very low243 Ų243138.7 Ų138.7100%1.24673%0.727SS**  trans880149.7-53.3173.1000116.8

Retrieved 2,106 of 2,106 residues in 1993.2 ms (Link to these results)

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